*HEADER    LEUCINE ZIPPERS                         09-JUN-98   2A93      
*TITLE     NMR SOLUTION STRUCTURE OF THE C-MYC-MAX HETERODIMERIC         
*TITLE    2 LEUCINE ZIPPER, 40 STRUCTURES                                
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: C-MYC-MAX HETERODIMERIC LEUCINE ZIPPER;            
*COMPND   3 CHAIN: A, B;                                                 
*COMPND   4 FRAGMENT: LEUCINE ZIPPER;                                    
*COMPND   5 SYNONYM: COILED COIL, LZ;                                    
*COMPND   6 ENGINEERED: YES;                                             
*COMPND   7 BIOLOGICAL_UNIT: HETERODIMER;                                
*COMPND   8 OTHER_DETAILS: DISULPHIDE LINK AT THE N-TERMINI              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: YES;                                              
*SOURCE   3 FRAGMENT: 6 A - 34 A;                                        
*SOURCE   4 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                           
*SOURCE   5 ORGANISM_SCIENTIFIC: HUMAN;                                  
*SOURCE   6 FRAGMENT: 6 B - 34 B;                                        
*SOURCE   7 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                           
*SOURCE   8 ORGANISM_SCIENTIFIC: MOUSE;                                  
*SOURCE   9 OTHER_DETAILS: BOTH C-MYC AND MAX HAVE A NON BIOLOGICAL CGG  
*SOURCE  10 LINKER AT THE N-TERMINUS OF THE PROTEIN. C-MYC AND MAX ARE   
*SOURCE  11 NUCLEAR PROTEINS.                                            
*KEYWDS    LEUCINE ZIPPERS, 2D NMR, SOLUTION STRUCTURE, H-BONDS,         
*KEYWDS   2 BURIED SALT BRIDGE                                           
*EXPDTA    NMR, 40 STRUCTURES                                            
*AUTHOR    P.LAVIGNE,M.P.CRUMP,S.M.GAGNE,R.S.HODGES,C.M.KAY,B.D.SYKES    
*REVDAT   1   12-OCT-04 2A93    0   


!a INTRaMONOMER NOES

clas sequential

!a.1.1 short range interresidue (|i - j| <= 5) NOEs: intramonomer a

!CaH(i)-NH(i+1) (includes Noes to CdH and CaH of Pro)

assign ( resid  6 and name HA and segid "a" )( resid  7 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 8 and name HA and segid "a" )( resid  9 and name HN and segid "a" ) 3.5 1.7 1.0
assign ( resid 14 and name HA and segid "a" )( resid 15 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 15 and name HA and segid "a" )( resid 16 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 17 and name HA and segid "a" )( resid 18 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 18 and name HA and segid "a" )( resid 19 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 19 and name HA and segid "a" )( resid 20 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 23 and name HA and segid "a" )( resid 24 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 26 and name HA and segid "a" )( resid 27 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 29 and name HA and segid "a" )( resid 30 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 33 and name HA and segid "a" )( resid 34 and name HN and segid "a" ) 3.5 1.7 0.5

!NH(i)-NH(i+1) NOEs (includes NOEs to Pro CdH)

assign ( resid  6 and name HN and segid "a" )( resid  7 and name HN and segid "a" ) 3.0 1.2 0.5
assign ( resid  9 and name HN and segid "a" )( resid 10 and name HN and segid "a" ) 2.5 0.7 0.5
assign ( resid 10 and name HN and segid "a" )( resid 11 and name HN and segid "a" ) 2.5 0.7 0.5
assign ( resid 14 and name HN and segid "a" )( resid 15 and name HN and segid "a" ) 3.0 1.2 0.5
assign ( resid 15 and name HN and segid "a" )( resid 16 and name HN and segid "a" ) 3.0 1.2 0.5
assign ( resid 16 and name HN and segid "a" )( resid 17 and name HN and segid "a" ) 3.0 1.2 0.5
assign ( resid 17 and name HN and segid "a" )( resid 18 and name HN and segid "a" ) 3.0 1.2 0.5
assign ( resid 18 and name HN and segid "a" )( resid 19 and name HN and segid "a" ) 2.5 0.7 0.5
assign ( resid 24 and name HN and segid "a" )( resid 25 and name HN and segid "a" ) 2.5 0.7 0.5
assign ( resid 25 and name HN and segid "a" )( resid 26 and name HN and segid "a" ) 2.5 0.7 0.5
assign ( resid 26 and name HN and segid "a" )( resid 27 and name HN and segid "a" ) 2.5 0.7 0.5
assign ( resid 28 and name HN and segid "a" )( resid 29 and name HN and segid "a" ) 2.5 0.7 0.5
assign ( resid 31 and name HN and segid "a" )( resid 32 and name HN and segid "a" ) 2.5 0.7 0.5
assign ( resid 32 and name HN and segid "a" )( resid 33 and name HN and segid "a" ) 2.5 0.7 0.5
assign ( resid 33 and name HN and segid "a" )( resid 34 and name HN and segid "a" ) 2.5 0.7 0.5

!CbH(i)-NH(i+1)

assign ( resid  6 and name HB  and segid "a" )( resid  7 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid  8 and name HB* and segid "a" )( resid  9 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 10 and name HB* and segid "a" )( resid 11 and name HN and segid "a" ) 3.5 1.2 1.0
assign ( resid 11 and name HB* and segid "a" )( resid 12 and name HN and segid "a" ) 3.5 1.2 1.0
assign ( resid 13 and name HB1 and segid "a" )( resid 14 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 13 and name HB2 and segid "a" )( resid 14 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 14 and name HB  and segid "a" )( resid 15 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 15 and name HB* and segid "a" )( resid 16 and name HN and segid "a" ) 3.5 1.7 1.0
assign ( resid 18 and name HB1 and segid "a" )( resid 19 and name HN and segid "a" ) 4.0 2.2 1.0
assign ( resid 18 and name HB2 and segid "a" )( resid 19 and name HN and segid "a" ) 4.0 2.2 1.0
assign ( resid 19 and name HB1 and segid "a" )( resid 20 and name HN and segid "a" ) 4.0 2.2 1.0
assign ( resid 19 and name HB2 and segid "a" )( resid 20 and name HN and segid "a" ) 4.0 2.2 1.0
assign ( resid 20 and name HB1 and segid "a" )( resid 21 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 20 and name HB2 and segid "a" )( resid 21 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 23 and name HB* and segid "a" )( resid 24 and name HN and segid "a" ) 3.5 1.7 1.0
assign ( resid 24 and name HB1 and segid "a" )( resid 25 and name HN and segid "a" ) 3.5 1.7 1.0
assign ( resid 24 and name HB2 and segid "a" )( resid 25 and name HN and segid "a" ) 3.5 1.7 1.0
assign ( resid 25 and name HB* and segid "a" )( resid 26 and name HN and segid "a" ) 3.5 1.7 1.0
assign ( resid 27 and name HB1 and segid "a" )( resid 28 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 27 and name HB2 and segid "a" )( resid 28 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 29 and name HB* and segid "a" )( resid 30 and name HN and segid "a" ) 2.8 1.0 1.0
assign ( resid 31 and name HB2 and segid "a" )( resid 32 and name HN and segid "a" ) 3.0 1.7 0.5
assign ( resid 33 and name HB* and segid "a" )( resid 34 and name HN and segid "a" ) 3.5 1.7 1.0

!a.1.2 short range interresidue (|i - j| <= 5) NOES: intramonomer  segid b

!CaH(i)-NH(i+1) (includes Noes to CdH and CaH of Pro)
assign ( resid 10 and name HA and segid "b" )( resid 11 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 11 and name HA and segid "b" )( resid 12 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 12 and name HA and segid "b" )( resid 13 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 13 and name HA and segid "b" )( resid 14 and name HN and segid "b" ) 3.5 1.7 0.0
assign ( resid 17 and name HA and segid "b" )( resid 18 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 18 and name HA and segid "b" )( resid 19 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 19 and name HA and segid "b" )( resid 20 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 21 and name HA and segid "b" )( resid 22 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 23 and name HA and segid "b" )( resid 24 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 24 and name HA and segid "b" )( resid 25 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 25 and name HA and segid "b" )( resid 26 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 27 and name HA and segid "b" )( resid 28 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 28 and name HA and segid "b" )( resid 29 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 29 and name HA and segid "b" )( resid 30 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 30 and name HA and segid "b" )( resid 31 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 31 and name HA and segid "b" )( resid 32 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 32 and name HA and segid "b" )( resid 33 and name HN and segid "b" ) 3.5 1.7 0.5

!NH(i)-NH(i+1) NOEs (includes NOEs to Pro CdH)

assign ( resid 11 and name HN and segid "b" )( resid 12 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 12 and name HN and segid "b" )( resid 13 and name HN and segid "b" ) 3.0 1.2 0.5
assign ( resid 13 and name HN and segid "b" )( resid 14 and name HN and segid "b" ) 3.0 1.2 0.5
assign ( resid 14 and name HN and segid "b" )( resid 15 and name HN and segid "b" ) 3.0 1.2 0.5
assign ( resid 16 and name HN and segid "b" )( resid 17 and name HN and segid "b" ) 3.0 1.2 0.5
assign ( resid 18 and name HN and segid "b" )( resid 19 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 19 and name HN and segid "b" )( resid 20 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 20 and name HN and segid "b" )( resid 21 and name HN and segid "b" ) 3.0 1.2 0.5
assign ( resid 21 and name HN and segid "b" )( resid 22 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 22 and name HN and segid "b" )( resid 23 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 23 and name HN and segid "b" )( resid 24 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 24 and name HN and segid "b" )( resid 25 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 25 and name HN and segid "b" )( resid 26 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 26 and name HN and segid "b" )( resid 27 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 27 and name HN and segid "b" )( resid 28 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 28 and name HN and segid "b" )( resid 29 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 29 and name HN and segid "b" )( resid 30 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 30 and name HN and segid "b" )( resid 31 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 31 and name HN and segid "b" )( resid 32 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 32 and name HN and segid "b" )( resid 33 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 33 and name HN and segid "b" )( resid 34 and name HN and segid "b" ) 2.5 0.7 0.5

!CbH(i)-NH(i+1)

assign ( resid 10 and name HB2 and segid "b" )( resid 11 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 11 and name HB1 and segid "b" )( resid 12 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 11 and name HB2 and segid "b" )( resid 12 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 12 and name HB  and segid "b" )( resid 13 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 13 and name HB1 and segid "b" )( resid 14 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 13 and name HB2 and segid "b" )( resid 14 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 14 and name HB* and segid "b" )( resid 15 and name HN and segid "b" ) 3.5 2.2 1.5
assign ( resid 16 and name HB1 and segid "b" )( resid 17 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 16 and name HB2 and segid "b" )( resid 17 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 17 and name HB  and segid "b" )( resid 18 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 18 and name HB* and segid "b" )( resid 19 and name HN and segid "b" ) 4.0 2.2 1.5
assign ( resid 19 and name HB1 and segid "b" )( resid 20 and name HN and segid "b" ) 3.0 1.2 0.5
assign ( resid 19 and name HB2 and segid "b" )( resid 20 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 20 and name HB1 and segid "b" )( resid 21 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 20 and name HB2 and segid "b" )( resid 21 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 21 and name HB* and segid "b" )( resid 22 and name HN and segid "b" ) 3.5 1.7 1.5
assign ( resid 22 and name HB* and segid "b" )( resid 23 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 23 and name HB* and segid "b" )( resid 24 and name HN and segid "b" ) 3.5 1.7 1.5
assign ( resid 24 and name HB1 and segid "b" )( resid 25 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 24 and name HB2 and segid "b" )( resid 25 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 25 and name HB* and segid "b" )( resid 26 and name HN and segid "b" ) 3.5 1.7 1.0
assign ( resid 26 and name HB* and segid "b" )( resid 27 and name HN and segid "b" ) 3.5 1.0 1.0
assign ( resid 27 and name HB1 and segid "b" )( resid 28 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 27 and name HB2 and segid "b" )( resid 28 and name HN and segid "b" ) 3.0 1.2 0.5
assign ( resid 28 and name HB1 and segid "b" )( resid 29 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 28 and name HB2 and segid "b" )( resid 29 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 30 and name HB* and segid "b" )( resid 31 and name HN and segid "b" ) 3.5 1.7 1.5
assign ( resid 31 and name HB  and segid "b" )( resid 32 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 33 and name HB* and segid "b" )( resid 34 and name HN and segid "b" ) 3.5 1.7 1.0


clas short

!CaH(i)-NH(i+3)

assign ( resid  7 and name HA and segid "a" )( resid 10 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid  8 and name HA and segid "a" )( resid 11 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 10 and name HA and segid "a" )( resid 13 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 12 and name HA and segid "a" )( resid 15 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 14 and name HA and segid "a" )( resid 17 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 15 and name HA and segid "a" )( resid 18 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 18 and name HA and segid "a" )( resid 21 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 20 and name HA and segid "a" )( resid 23 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 24 and name HA and segid "a" )( resid 27 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 25 and name HA and segid "a" )( resid 28 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 26 and name HA and segid "a" )( resid 29 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 29 and name HA and segid "a" )( resid 32 and name HN and segid "a" ) 4.0 2.2 0.5

!CaH(i)-NH(i+4)

assign ( resid  6 and name HA and segid "a" )( resid 10 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 10 and name HA and segid "a" )( resid 14 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 13 and name HA and segid "a" )( resid 17 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 14 and name HA and segid "a" )( resid 18 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 29 and name HA and segid "a" )( resid 33 and name HN and segid "a" ) 4.0 2.2 0.5

!CaH(i)-CbH(i+3)

assign ( resid  6 and name HA and segid "a" )( resid  9 and name HB* and segid "a" ) 4.0 2.2 1.5
assign ( resid  7 and name HA and segid "a" )( resid 10 and name HB1 and segid "a" ) 4.0 2.2 0.5
assign ( resid  7 and name HA and segid "a" )( resid 10 and name HB2 and segid "a" ) 4.0 2.2 0.5
assign ( resid 11 and name HA and segid "a" )( resid 14 and name HB  and segid "a" ) 4.0 1.0 0.5
assign ( resid 12 and name HA and segid "a" )( resid 15 and name HB  and segid "a" ) 2.8 1.0 0.5
assign ( resid 14 and name HA and segid "a" )( resid 17 and name HB* and segid "a" ) 4.0 2.2 1.0
assign ( resid 15 and name HA and segid "a" )( resid 18 and name HB1 and segid "a" ) 2.8 1.0 0.5
assign ( resid 15 and name HA and segid "a" )( resid 18 and name HB2 and segid "a" ) 2.8 1.0 0.5
assign ( resid 18 and name HA and segid "a" )( resid 21 and name HB1 and segid "a" ) 4.0 2.2 0.5
assign ( resid 18 and name HA and segid "a" )( resid 21 and name HB2 and segid "a" ) 4.0 2.2 0.5
assign ( resid 23 and name HA and segid "a" )( resid 26 and name HB* and segid "a" ) 4.0 2.2 1.0
assign ( resid 26 and name HA and segid "a" )( resid 29 and name HB* and segid "a" ) 2.8 1.0 1.0
assign ( resid 29 and name HA and segid "a" )( resid 32 and name HB* and segid "a" ) 4.0 2.2 1.0


!asp-18

assign ( resid 18 and name HA and segid "a" )( resid 21 and name HD* and segid "a" ) 2.8 1.0 1.5
assign ( resid 18 and name HA and segid "a" )( resid 21 and name HG1 and segid "a" ) 4.0 2.2 0.5
assign ( resid 18 and name HA and segid "a" )( resid 21 and name HG2 and segid "a" ) 4.0 2.2 0.5
assign ( resid 18 and name HA and segid "a" )( resid 21 and name HE and segid "a" ) 4.0 2.2 0.5

!Ile-14

assign ( resid 14 and name HD1* and segid "a" )( resid 11 and name HA  and segid "a" ) 3.5 1.7 1.0
assign ( resid 14 and name HG2* and segid "a" )( resid 15 and name HA  and segid "a" ) 3.5 1.7 1.0
assign ( resid 14 and name HG2* and segid "a" )( resid 15 and name HN  and segid "a" ) 3.5 1.7 1.0
assign ( resid 14 and name HG1* and segid "a" )( resid 15 and name HN  and segid "a" ) 3.5 1.7 1.0
assign ( resid 14 and name HD1* and segid "a" )( resid 15 and name HN  and segid "a" ) 4.5 2.7 1.0
assign ( resid 14 and name HD1* and segid "a" )( resid 10 and name HG* and segid "a" ) 3.5 1.7 1.5
assign ( resid 14 and name HD1* and segid "a" )( resid 10 and name HB* and segid "a" ) 4.5 2.7 1.5

!Arg-23

assign ( resid 23 and name HE   and segid "a" )( resid 27 and name HD1* and segid "a" ) 4.0 2.2 1.0
assign ( resid 23 and name HE   and segid "a" )( resid 27 and name HD2* and segid "a" ) 4.0 2.2 1.0
assign ( resid 23 and name HD*  and segid "a" )( resid 27 and name HD1* and segid "a" ) 4.0 2.2 1.5



!His-29

assign ( resid 29 and name HD2  and segid "a" )( resid 26 and name HA  and segid "a" ) 3.5 1.7 0.5
assign ( resid 29 and name HD2  and segid "a" )( resid 26 and name HG* and segid "a" ) 4.5 2.7 0.5
assign ( resid 29 and name HD2  and segid "a" )( resid 26 and name HB* and segid "a" ) 4.5 2.7 0.5



!CaH(i)-NH(i+3)
assign ( resid  7 and name HA and segid "b" )( resid 10 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid  8 and name HA and segid "b" )( resid 11 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 10 and name HA and segid "b" )( resid 13 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 11 and name HA and segid "b" )( resid 14 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 13 and name HA and segid "b" )( resid 16 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 14 and name HA and segid "b" )( resid 17 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 15 and name HA and segid "b" )( resid 18 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 16 and name HA and segid "b" )( resid 19 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 17 and name HA and segid "b" )( resid 20 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 18 and name HA and segid "b" )( resid 21 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 19 and name HA and segid "b" )( resid 22 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 20 and name HA and segid "b" )( resid 23 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 21 and name HA and segid "b" )( resid 24 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 22 and name HA and segid "b" )( resid 25 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 23 and name HA and segid "b" )( resid 26 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 24 and name HA and segid "b" )( resid 27 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 25 and name HA and segid "b" )( resid 28 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 26 and name HA and segid "b" )( resid 29 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 27 and name HA and segid "b" )( resid 30 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 28 and name HA and segid "b" )( resid 31 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 30 and name HA and segid "b" )( resid 33 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 31 and name HA and segid "b" )( resid 34 and name HN and segid "b" ) 4.0 2.2 0.5

!CaH(i)-NH(i+4)

assign ( resid 10 and name HA and segid "b" )( resid 14 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 13 and name HA and segid "b" )( resid 17 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 14 and name HA and segid "b" )( resid 18 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 17 and name HA and segid "b" )( resid 21 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 18 and name HA and segid "b" )( resid 22 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 19 and name HA and segid "b" )( resid 23 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 20 and name HA and segid "b" )( resid 24 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 21 and name HA and segid "b" )( resid 25 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 24 and name HA and segid "b" )( resid 28 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 26 and name HA and segid "b" )( resid 30 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 28 and name HA and segid "b" )( resid 32 and name HN and segid "b" ) 4.0 2.2 0.5

!CaH(i)-CbH(i+3)

assign ( resid  7 and name HA and segid "b" )( resid 10 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid  7 and name HA and segid "b" )( resid 10 and name HB2 and segid "b" ) 4.0 2.2 0.5
assign ( resid  8 and name HA and segid "b" )( resid 11 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid  8 and name HA and segid "b" )( resid 11 and name HB2 and segid "b" ) 4.0 2.2 0.5
assign ( resid 10 and name HA and segid "b" )( resid 13 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 10 and name HA and segid "b" )( resid 13 and name HB2 and segid "b" ) 4.0 2.2 0.5
assign ( resid 11 and name HA and segid "b" )( resid 14 and name HB* and segid "b" ) 4.0 2.2 1.5
assign ( resid 13 and name HA and segid "b" )( resid 16 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 13 and name HA and segid "b" )( resid 16 and name HB2 and segid "b" ) 4.0 2.2 0.5
assign ( resid 15 and name HA and segid "b" )( resid 18 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 15 and name HA and segid "b" )( resid 18 and name HB2 and segid "b" ) 4.0 2.2 0.5
assign ( resid 16 and name HA and segid "b" )( resid 19 and name HB* and segid "b" ) 4.0 2.2 1.0
assign ( resid 17 and name HA and segid "b" )( resid 20 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 17 and name HA and segid "b" )( resid 20 and name HB2 and segid "b" ) 2.8 1.0 0.5
assign ( resid 18 and name HA and segid "b" )( resid 21 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 18 and name HA and segid "b" )( resid 21 and name HB2 and segid "b" ) 4.0 2.2 0.5
assign ( resid 19 and name HA and segid "b" )( resid 22 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 19 and name HA and segid "b" )( resid 22 and name HB2 and segid "b" ) 4.0 2.2 0.5
assign ( resid 21 and name HA and segid "b" )( resid 24 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 21 and name HA and segid "b" )( resid 24 and name HB2 and segid "b" ) 2.8 1.0 0.5
assign ( resid 24 and name HA and segid "b" )( resid 27 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 24 and name HA and segid "b" )( resid 27 and name HB2 and segid "b" ) 2.8 1.0 0.5
assign ( resid 28 and name HA and segid "b" )( resid 31 and name HB  and segid "b" ) 2.8 1.0 0.5
assign ( resid 31 and name HA and segid "b" )( resid 34 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 31 and name HA and segid "b" )( resid 34 and name HB2 and segid "b" ) 4.0 2.2 0.5

!asn-10
assign ( resid 10 and name HA and segid "b" )( resid 13 and name HD2 and segid "b" ) 2.5 0.7 0.5

!Thr-12 HG*
!assign ( resid 12 and name HG* and segid "b" )( resid 13 and name HB* and segid "b" ) 4.0 1.2 1.5
assign ( resid 12 and name HG* and segid "b" )( resid  9 and name HA and segid "b" ) 4.0 2.2 1.0

!His-13 HD2
assign ( resid 13 and name HD2 and segid "b" )( resid 10 and name HA  and segid "b" ) 2.5 0.7 0.5
assign ( resid 13 and name HD2 and segid "b" )( resid 10 and name HB* and segid "b" ) 4.0 2.2 1.0

!Ile-17
assign ( resid 17 and name HA   and segid "b" )( resid 20 and name HD1* and segid "b" ) 3.0 1.2 0.5
assign ( resid 17 and name HA   and segid "b" )( resid 20 and name HG   and segid "b" ) 3.5 1.7 0.5
assign ( resid 17 and name HG2* and segid "b" )( resid 18 and name HA   and segid "b" ) 3.0 1.2 0.5

!Asp-18
assign ( resid 18 and name HA and segid "b" )( resid 21 and name HG* and segid "b" ) 4.0 2.2 1.0

!Gln-23
assign ( resid 23 and name HE22 and segid "b" )( resid 27 and name HD2* and segid "b" ) 4.0 2.2 1.0

!Asn-24
assign ( resid 24 and name HA and segid "b" )( resid 27 and name HD1* and segid "b" ) 3.5 1.7 1.0
!assign ( resid 24 and name HD21 and segid "b" )( resid 21 and name HA and segid "b" ) 4.5 2.7 0.5

!Glu-28
assign ( resid 28 and name HG* and segid "b" )( resid 29 and name HN   and segid "b" ) 3.5 1.7 0.5
assign ( resid 28 and name HA  and segid "b" )( resid 31 and name HG1* and segid "b" ) 3.5 1.7 1.0

!Val-31

assign ( resid 31 and name HG1* and segid "b" )( resid 32 and name HN and segid "b" ) 3.5 1.7 1.0
assign ( resid 31 and name HG2* and segid "b" )( resid 32 and name HN and segid "b" ) 4.5 2.7 1.0
assign ( resid 31 and name HA   and segid "b" )( resid 34 and name HD* and segid "b" ) 4.0 2.2 2.0


class intra

!a.3.1 Intraresidue: intramonomer a

! Val-6
assign ( resid 6 and name HN and segid "a" )( resid 6 and name HB   and segid "a" ) 2.5 0.7 0.5
assign ( resid 6 and name HN and segid "a" )( resid 6 and name HA   and segid "a" ) 3.0 1.2 0.5
assign ( resid 6 and name HA and segid "a" )( resid 6 and name HG1* and segid "a" ) 3.5 1.7 1.0
assign ( resid 6 and name HA and segid "a" )( resid 6 and name HG2* and segid "a" ) 3.5 1.7 1.0
assign ( resid 6 and name HA and segid "a" )( resid 6 and name HB   and segid "a" ) 3.0 1.2 0.5

! Gln-7 No Chi-1 set for this residue. I cannot see this on exp9, h2o NOESY.
assign ( resid 7 and name HN and segid "a" )( resid 7 and name HA  and segid "a" ) 3.0 1.2 0.5

! Ala-8 Chi-1 N/A
assign ( resid 8 and name HN and segid "a" )( resid 8 and name HA  and segid "a" ) 3.0 1.2 0.5

! Glu-9 No Chi-1 set for this residue.

! Glu-10 No Chi-1 set for this residue.
! Can see potential HN/HA, but no HN/HB signals
assign ( resid 10 and name HN and segid "a" )( resid 10 and name HA  and segid "a" ) 3.0 1.2 0.5

! Gln-11 No Chi-1 set for this residue. HA shift may be wrong.

! Lys-12 No Chi-1 set for this residue. Bad region. Hard to assign anything here with any certainty.

!Leu-13 Chi-1 set to -60
assign ( resid 13 and name HN and segid "a" )( resid 13 and name HB1 and segid "a" ) 3.5 0.5 0.5
assign ( resid 13 and name HN and segid "a" )( resid 13 and name HB2 and segid "a" ) 2.5 0.7 0.5
assign ( resid 13 and name HA and segid "a" )( resid 13 and name HD2* and segid "a" ) 2.5 0.7 1.0
assign ( resid 13 and name HA and segid "a" )( resid 13 and name HD1* and segid "a" ) 4.0 2.2 1.0

!Ile-14 Chi-1 set to -60
assign ( resid 14 and name HN and segid "a" )( resid 14 and name HA   and segid "a" ) 3.5 1.7 0.5
assign ( resid 14 and name HN and segid "a" )( resid 14 and name HB   and segid "a" ) 2.5 0.7 0.5
assign ( resid 14 and name HA and segid "a" )( resid 14 and name HB   and segid "a" ) 3.5 1.7 0.5
assign ( resid 14 and name HA and segid "a" )( resid 14 and name HD1* and segid "a" ) 4.5 2.7 1.0
assign ( resid 14 and name HA and segid "a" )( resid 14 and name HG2* and segid "a" ) 3.0 1.2 1.0

!Ser-15
assign ( resid 15 and name HA and segid "a" )( resid 15 and name HN   and segid "a" ) 3.5 1.7 0.5

!Glu-16
!Glu-17
!Asp-18 No Chi-1 set for this residue. HN/HB NOES and HA/HB NOES both strong. Good sign of disordered.
assign ( resid 16 and name HA and segid "a" )( resid 16 and name HN   and segid "a" ) 3.0 1.2 0.5
 
!Leu-19 No Chi-1 set for this residue. Cannot see HN-HB NOES at 150ms. Ovlp.
assign ( resid 19 and name HA and segid "a" )( resid 19 and name HN   and segid "a" ) 2.5 0.7 0.5

!Leu-20 Chi-1 set to -60
assign ( resid 20 and name HN and segid "a" )( resid 20 and name HA  and segid "a" ) 3.0 1.2 0.5
assign ( resid 20 and name HN and segid "a" )( resid 20 and name HB1 and segid "a" ) 3.5 1.7 0.5
assign ( resid 20 and name HN and segid "a" )( resid 20 and name HB2 and segid "a" ) 2.5 0.7 0.5
assign ( resid 20 and name HN and segid "a" )( resid 20 and name Hb1 and segid "a" ) 3.0 1.2 0.5

!Arg-21 No Chi-1 set for this resdiue.
assign ( resid 21 and name HA and segid "a" )( resid 21 and name HN   and segid "a" ) 2.5 0.7 0.5
assign ( resid 21 and name HN and segid "a" )( resid 21 and name HB*  and segid "a" ) 3.0 1.2 1.5

!Lys-22
!Arg-23
assign ( resid 23 and name HN and segid "a" )( resid 23 and name HA   and segid "a" ) 2.5 0.7 0.5
assign ( resid 23 and name HN and segid "a" )( resid 23 and name HB*  and segid "a" ) 3.0 1.2 1.5

!Arg-24 No Chi-1 set.
assign ( resid 24 and name HN and segid "a" )( resid 24 and name HA    and segid "a" ) 2.5 0.7 0.5
assign ( resid 24 and name HN and segid "a" )( resid 24 and name HB*   and segid "a" ) 3.0 1.2 1.5

!Glu-25 No Chi-1 set.
assign ( resid 25 and name HN and segid "a" )( resid 25 and name HA    and segid "a" ) 3.0 1.2 0.5
assign ( resid 25 and name HN and segid "a" )( resid 25 and name HB*   and segid "a" ) 3.0 1.2 1.5
assign ( resid 25 and name HN and segid "a" )( resid 25 and name HG*   and segid "a" ) 3.5 1.7 1.5

!Gln-26 No Chi-1 set.
assign ( resid 26 and name HN and segid "a" )( resid 26 and name HA    and segid "a" ) 2.5 0.7 0.5
assign ( resid 26 and name HN and segid "a" )( resid 26 and name HB*   and segid "a" ) 3.0 1.2 1.5
assign ( resid 26 and name HN and segid "a" )( resid 26 and name HG*   and segid "a" ) 4.0 2.2 1.5


!Leu-27 Chi-1 set to -60.
assign ( resid 27 and name HN and segid "a" )( resid 27 and name HB1 and segid "a" ) 3.5 1.7 0.5
assign ( resid 27 and name HN and segid "a" )( resid 27 and name HB2 and segid "a" ) 2.5 0.7 0.5
assign ( resid 27 and name HN and segid "a" )( resid 27 and name HA  and segid "a" ) 3.5 1.7 0.5
assign ( resid 27 and name HN and segid "a" )( resid 27 and name HG2* and segid "a" ) 3.0 0.7 1.5

!Lys-28 Not assigned.

!His-29 Strong HN-HB* and HA-HB*. May be disordered. Bh's degenerate, adds to problem!!
assign ( resid 29 and name HA   and segid "a" )( resid 29 and name HN  and segid "a" ) 3.5 1.7 0.5
assign ( resid 29 and name HN   and segid "a" )( resid 29 and name HB* and segid "a" ) 2.5 0.7 1.5
assign ( resid 29 and name HD2  and segid "a" )( resid 29 and name HB1 and segid "a" ) 3.5 1.7 0.5
assign ( resid 29 and name HD2  and segid "a" )( resid 29 and name HB2 and segid "a" ) 2.5 0.7 0.5

!Lys-30
 
!Leu-31 Looks fixed. May be -60. Setting as if -60.
assign ( resid 31 and name HN   and segid "a" )( resid 31 and name HA  and segid "a" ) 2.5 0.7 0.5  
assign ( resid 31 and name HN   and segid "a" )( resid 31 and name HB2 and segid "a" ) 2.5 0.7 0.5  
assign ( resid 31 and name HN   and segid "a" )( resid 31 and name HB1 and segid "a" ) 3.5 1.7 0.5  

!Glu-32
assign ( resid 32 and name HN   and segid "a" )( resid 32 and name HA  and segid "a" ) 3.0 1.2 0.5

!Gln-33
assign ( resid 33 and name HN   and segid "a" )( resid 33 and name HA  and segid "a" ) 3.0 1.2 0.5
assign ( resid 33 and name HN   and segid "a" )( resid 33 and name HB* and segid "a" ) 3.0 1.2 1.5

!Leu-34
!assign ( resid 34 and name HN and segid "a" )( resid 34 and name HB1 and segid "a" ) 3.5 1.7 1.0
!assign ( resid 34 and name HN and segid "a" )( resid 34 and name HB2 and segid "a" ) 3.5 1.7 1.0
assign ( resid 34 and name HN and segid "a" )( resid 34 and name HA and segid "a" ) 3.0 1.2 0.5



!a.3.2. Intraresidue: intramonomer b

!Asn-10 Chi-1 set to -60 for this residue

assign ( resid 10 and name HN   and segid "b" )( resid 10 and name HA  and segid "b" ) 3.5 1.7 0.5
assign ( resid 10 and name HN   and segid "b" )( resid 10 and name HB1 and segid "b" ) 3.5 0.5 0.5
assign ( resid 10 and name HN   and segid "b" )( resid 10 and name HB2 and segid "b" ) 2.5 0.7 0.5
assign ( resid 10 and name HA   and segid "b" )( resid 10 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 10 and name HA   and segid "b" )( resid 10 and name HB2 and segid "b" ) 2.8 1.0 0.5
assign ( resid 10 and name HD21 and segid "b" )( resid 10 and name HB1 and segid "b" ) 3.0 1.2 0.5
assign ( resid 10 and name HD21 and segid "b" )( resid 10 and name HB2 and segid "b" ) 4.0 2.2 0.5
assign ( resid 10 and name HD22 and segid "b" )( resid 10 and name HB1 and segid "b" ) 5.5 3.7 0.5
assign ( resid 10 and name HD22 and segid "b" )( resid 10 and name HB2 and segid "b" ) 5.5 3.7 0.5

!Asp-11 No Chi-1 set for this residue.
!HN,HA to HB NOEs look of similar intensity, cannot pin a conformation.
assign ( resid 11 and name HN and segid "b" )( resid 11 and name HA and segid "b" ) 3.0 1.2 0.5

!Thr-12 No Chi-1 set for this residue.

assign ( resid 12 and name HN and segid "b" )( resid 12 and name HB  and segid "b" ) 3.5 1.7 0.5
assign ( resid 12 and name HN and segid "b" )( resid 12 and name HG* and segid "b" ) 3.5 1.2 1.0
assign ( resid 12 and name HA and segid "b" )( resid 12 and name HG* and segid "b" ) 3.5 1.2 1.0
!assign ( resid 12 and name HA and segid "b" )( resid 12 and name HB and segid "b" ) 3.0 1.2 0.5

!His-13 Chi-1 set to -60 for this residue.

assign ( resid 13 and name HN  and segid "b" )( resid 13 and name HA and segid "b"  ) 3.5 1.7 0.5
assign ( resid 13 and name HN  and segid "b" )( resid 13 and name HB1 and segid "b" ) 3.5 0.5 0.5
assign ( resid 13 and name HN  and segid "b" )( resid 13 and name HB2 and segid "b" ) 2.5 0.7 0.5
assign ( resid 13 and name HA  and segid "b" )( resid 13 and name HB1 and segid "b" ) 3.0 1.2 0.5
assign ( resid 13 and name HA  and segid "b" )( resid 13 and name HB2 and segid "b" ) 4.0 2.2 0.5
assign ( resid 13 and name HD2 and segid "b" )( resid 13 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 13 and name HD2 and segid "b" )( resid 13 and name HB2 and segid "b" ) 2.5 0.7 0.5
assign ( resid 13 and name HD2 and segid "b" )( resid 13 and name HB* and segid "b" ) 3.0 1.2 1.0

! Gln-14 No Chi-1 set for this residue.
assign ( resid 14 and name HN  and segid "b" )( resid 14 and name HA and segid "b" ) 3.0 1.2 0.5

! Gln-15 No Chi-1 set for this residue. Missing bH assignments
assign ( resid 15 and name HN  and segid "b" )( resid 15 and name HA and segid "b" ) 3.0 1.2 0.5

! Asp-16 Chi-1 set to 180 for this residue. HA-HB NOES poorly resolved? 
assign ( resid 16 and name HN  and segid "b" )( resid 16 and name HA  and segid "b" ) 3.0 1.2 0.5
assign ( resid 16 and name HN  and segid "b" )( resid 16 and name HB1 and segid "b" ) 3.0 1.2 0.5
assign ( resid 16 and name HN  and segid "b" )( resid 16 and name HB2 and segid "b" ) 3.0 1.2 0.5

! Ile-17 Chi-1 set to -60 for this residue. I cannot see an NOE pattern to confirm this.
assign ( resid 17 and name HN  and segid "b" )( resid 17 and name HA and segid "b" ) 3.5 1.7 0.5

! Asp-18 No Chi-1 set for this residue. I am setting to -60
assign ( resid 18 and name HN  and segid "b" )( resid 18 and name HA  and segid "b" ) 3.5 1.7 0.5
assign ( resid 18 and name HN  and segid "b" )( resid 18 and name HB1 and segid "b" ) 3.0 1.2 0.5
assign ( resid 18 and name HN  and segid "b" )( resid 18 and name HB2 and segid "b" ) 4.0 2.2 0.5
assign ( resid 18 and name HA  and segid "b" )( resid 18 and name HB1 and segid "b" ) 3.0 1.2 0.5
assign ( resid 18 and name HA  and segid "b" )( resid 18 and name HB2 and segid "b" ) 3.0 1.2 0.5

! Asp-19 Chi-1 set to 180 for this residue.
assign ( resid 19 and name HN   and segid "b" )( resid 19 and name HA  and segid "b" ) 3.0 1.2 0.5
assign ( resid 19 and name HB2  and segid "b" )( resid 19 and name HN  and segid "b" ) 3.0 1.2 0.5

! Leu-20 Chi-1 set to -60 for this residue.
assign ( resid 20 and name HN and segid "b" )( resid 20 and name HA   and segid "b" ) 3.5 1.7 1.0
assign ( resid 20 and name HN and segid "b" )( resid 20 and name HB1  and segid "b" ) 3.5 1.7 0.5
assign ( resid 20 and name HN and segid "b" )( resid 20 and name HB2  and segid "b" ) 2.5 0.7 0.5
assign ( resid 20 and name HA and segid "b" )( resid 20 and name HB1  and segid "b" ) 3.0 1.2 0.5
assign ( resid 20 and name HN and segid "b" )( resid 20 and name HG   and segid "b" ) 3.0 1.2 0.5
assign ( resid 20 and name HA and segid "b" )( resid 20 and name HD2* and segid "b" ) 3.0 1.2 1.0

! Lys-21 No Chi-1 set for this residue.
assign ( resid 21 and name HN  and segid "b" )( resid 21 and name HA  and segid "b" ) 3.0 1.2 0.5
assign ( resid 21 and name HB* and segid "b" )( resid 21 and name HN  and segid "b" ) 3.0 1.2 1.5
assign ( resid 21 and name HE* and segid "b" )( resid 21 and name HB* and segid "b" ) 3.5 1.7 1.5
assign ( resid 21 and name HE* and segid "b" )( resid 21 and name HD* and segid "b" ) 3.5 1.7 1.5

! Arg-22 No Chi-1 set for this residue. Maybe Chi-1 -60?
assign ( resid 22 and name HN and segid "b" )( resid 22 and name HA  and segid "b" ) 3.0 1.2 0.5
assign ( resid 22 and name HN and segid "b" )( resid 22 and name HB1 and segid "b" ) 3.0 1.2 0.5
assign ( resid 22 and name HN and segid "b" )( resid 22 and name HB2 and segid "b" ) 3.5 1.2 0.5
assign ( resid 22 and name HA and segid "b" )( resid 22 and name HB2 and segid "b" ) 3.0 1.2 0.5

! Gln-23 No Chi-1 set for this residue.
assign ( resid 23 and name HN and segid "b" )( resid 23 and name HA  and segid "b" ) 3.0 1.2 0.5
assign ( resid 23 and name HN and segid "b" )( resid 23 and name HB* and segid "b" ) 3.0 1.2 1.0
assign ( resid 23 and name HN and segid "b" )( resid 23 and name HG* and segid "b" ) 3.5 1.2 1.0

! Asn-24 Chi-1 set to -60 for this residue
assign ( resid 24 and name HN and segid "b" )( resid 24 and name HA  and segid "b" ) 3.0 1.2 0.5
assign ( resid 24 and name HN and segid "b" )( resid 24 and name HB1 and segid "b" ) 3.5 1.7 0.5
assign ( resid 24 and name HN and segid "b" )( resid 24 and name HB2 and segid "b" ) 2.5 0.7 0.5
assign ( resid 24 and name HA and segid "b" )( resid 24 and name HB1 and segid "b" ) 3.0 1.2 0.5 
assign ( resid 24 and name HD22 and segid "b" )( resid 24 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 24 and name HD22 and segid "b" )( resid 24 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 24 and name HD21 and segid "b" )( resid 24 and name HB1 and segid "b" ) 3.0 1.2 0.5
assign ( resid 24 and name HD21 and segid "b" )( resid 24 and name HB2 and segid "b" ) 3.0 1.2 0.5
assign ( resid 24 and name HD22 and segid "b" )( resid 24 and name HA  and segid "b" ) 4.0 2.2 0.5
assign ( resid 24 and name HD21 and segid "b" )( resid 24 and name HN  and segid "b" ) 4.0 2.2 0.5

! Ala-25 Chi-1 N/A
assign ( resid 25 and name HN and segid "b" )( resid 25 and name HA  and segid "b" ) 3.0 1.2 0.5
assign ( resid 25 and name HN and segid "b" )( resid 25 and name HB* and segid "b" ) 3.0 0.7 1.0

! Leu-26 No Chi-1 set for this residue. HBs same as xLeu29. Is this correct??
assign ( resid 26 and name HN and segid "b" )( resid 26 and name HA  and segid "b" ) 3.0 1.2 0.5 

! Leu-27
assign ( resid 27 and name HN and segid "b" )( resid 27 and name HB1 and segid "b" ) 3.5 0.5 0.5
assign ( resid 27 and name HN and segid "b" )( resid 27 and name HB2 and segid "b" ) 2.5 0.7 0.5
assign ( resid 27 and name HA and segid "b" )( resid 27 and name HB1 and segid "b" ) 3.0 1.2 0.5
assign ( resid 27 and name HN and segid "b" )( resid 27 and name HG  and segid "b" ) 3.0 1.2 0.5
assign ( resid 27 and name HN and segid "b" )( resid 27 and name HA  and segid "b" ) 3.0 1.2 0.5

! Glu-28 No Chi-1 set for this residue. However it appears fixed. 180 in model. 
assign ( resid 28 and name HN and segid "b" )( resid 28 and name HA  and segid "b" ) 3.0 1.2 0.5
assign ( resid 28 and name HN and segid "b" )( resid 28 and name HB1 and segid "b" ) 3.0 1.2 0.5
assign ( resid 28 and name HN and segid "b" )( resid 28 and name HB2 and segid "b" ) 3.0 1.2 0.5
assign ( resid 28 and name HN and segid "b" )( resid 28 and name HB1 and segid "b" ) 3.5 1.7 0.5
assign ( resid 28 and name HN and segid "b" )( resid 28 and name HB2 and segid "b" ) 3.0 1.2 0.5

! Gln-29 No Chi-1 set for this residue.
assign ( resid 29 and name HN and segid "b" )( resid 29 and name HA   and segid "b" ) 3.0 1.2 0.5
assign ( resid 29 and name HN and segid "b" )( resid 29 and name HB*  and segid "b" ) 3.0 1.2 1.0

! Gln-30 No Chi-1 set for this residue.
assign ( resid 30 and name HN and segid "b" )( resid 30 and name HA  and segid "b" ) 3.0 1.2 0.5

! Val-31 No Chi-1 set for this residue. Maybe fixed to -60. -60 in model.
assign ( resid 31 and name HN and segid "b" )( resid 31 and name HA   and segid "b" ) 3.0 1.2 0.5
assign ( resid 31 and name HN and segid "b" )( resid 31 and name HB   and segid "b" ) 2.5 0.7 0.5
assign ( resid 31 and name HN and segid "b" )( resid 31 and name HG2* and segid "b" ) 3.0 1.2 1.0
assign ( resid 31 and name HN and segid "b" )( resid 31 and name HG1* and segid "b" ) 4.5 1.7 1.0
assign ( resid 31 and name HA and segid "b" )( resid 31 and name HG2* and segid "b" ) 2.8 1.0 1.0
assign ( resid 31 and name HA and segid "b" )( resid 31 and name HG1* and segid "b" ) 2.8 1.0 1.0

! Arg-32 No Chi-1 set for this residue.
assign ( resid 32 and name HN and segid "b" )( resid 32 and name HA   and segid "b" ) 3.0 1.2 0.5

! Ala-33
assign ( resid 33 and name HN and segid "b" )( resid 33 and name HA   and segid "b" ) 2.8 1.0 0.5
assign ( resid 33 and name HN and segid "b" )( resid 33 and name HB*  and segid "b" ) 3.0 1.2 1.0

! Leu-34
!assign ( resid 34 and name HN and segid "b" )( resid 34 and name HB1 and segid "b" ) 3.5 1.7 1.0
!assign ( resid 34 and name HN and segid "b" )( resid 34 and name HB2 and segid "b" ) 3.5 1.7 1.0
assign ( resid 34 and name HN and segid "b" )( resid 34 and name HA and segid "b" ) 3.0 1.2 1.0

clas long

! b. INTERMONOMER NOEs (Dimer contacts)


!asn-10
assign ( resid 10 and name HA and segid "b" )( resid 13 and name HB* and segid "a" ) 4.5 2.7 0.5
assign ( resid 10 and name HA and segid "b" )( resid 13 and name HD1* and segid "a" ) 3.5 1.7 1.5
assign ( resid 10 and name HB1 and segid "b" )( resid 13 and name HD1* and segid "a" ) 3.5 1.7 0.5
assign ( resid 10 and name HB1 and segid "b" )( resid 13 and name HD1* and segid "a" ) 4.5 2.7 0.5
assign ( resid 10 and name HD22 and segid "b" )( resid 10  and name HA  and segid "a" ) 3.5 1.7 1.5
assign ( resid 10 and name HD21 and segid "b" )( resid 6 and name HG* and segid "a" ) 2.8 1.0 2.4
assign ( resid 10 and name HD21 and segid "b" )( resid 13 and name HD1* and segid "a" ) 4.5 2.7 1.0
assign ( resid 10 and name HD22 and segid "b" )( resid 6 and name HG* and segid "a" ) 2.8 1.0 2.4
assign ( resid 10 and name HD21 and segid "b" )( resid 9 and name HB* and segid "a" ) 4.5 2.7 1.0
assign ( resid 10 and name HD22 and segid "b" )( resid 9 and name HG* and segid "a" ) 4.5 2.7 1.0
assign ( resid 10 and name HD21 and segid "b" )( resid 10 and name HD1* and segid "a" ) 4.5 2.7 1.0
assign ( resid 10 and name HD22 and segid "b" )( resid 10 and name HG* and segid "a" ) 4.5 2.7 1.0

!cLeu-13

assign ( resid 13 and name HD2* and segid "a" )( resid 14 and name HN and segid "b" ) 3.5 1.7 1.0

!His-13

assign ( resid 13 and name HE1 and segid "b" )( resid 14 and name HG2* and segid "a" ) 3.5 1.7 1.0
assign ( resid 13 and name HE1 and segid "b" )( resid 14 and name HD1* and segid "a" ) 3.5 1.7 1.0
assign ( resid 13 and name HE1 and segid "b" )( resid 14 and name HA and segid "a" ) 4.0 2.2 0.5
assign ( resid 13 and name HE1 and segid "b" )( resid 14 and name HG1* and segid "a" ) 3.5 1.7 0.5
assign ( resid 13 and name HB1 and segid "b" )( resid 13 and name HB1 and segid "a" ) 4.0 2.2 0.5
assign ( resid 13 and name HB1 and segid "b" )( resid 13 and name HB2 and segid "a" ) 4.0 2.2 0.5
assign ( resid 13 and name HB2 and segid "b" )( resid 13 and name HB1 and segid "a" ) 4.0 2.2 0.5
assign ( resid 13 and name HB2 and segid "b" )( resid 13 and name HB2 and segid "a" ) 4.0 2.2 0.5
assign ( resid 13 and name HB1 and segid "b" )( resid 13 and name HD1* and segid "a" ) 3.5 1.7 1.0
assign ( resid 13 and name HB1 and segid "b" )( resid 13 and name HD2* and segid "a" ) 4.5 2.7 1.0
assign ( resid 13 and name HB2 and segid "b" )( resid 13 and name HD1* and segid "a" ) 3.5 1.7 1.0
assign ( resid 13 and name HD2 and segid "b" )( resid 13 and name HD1* and segid "a" ) 3.5 1.7 1.0
assign ( resid 13 and name HD2 and segid "b" )( resid 13 and name HB1 and segid "a" ) 4.0 2.2 0.5
assign ( resid 13 and name HD2 and segid "b" )( resid 13 and name HB2 and segid "a" ) 3.5 1.7 0.5
assign ( resid 13 and name HD2 and segid "b" )( resid 10 and name HG1 and segid "a" ) 3.5 1.7 1.0
assign ( resid 13 and name HD2 and segid "b" )( resid 10 and name HG2 and segid "a" ) 3.5 1.7 1.0
assign ( resid 13 and name HD2 and segid "b" )( resid 10 and name HB* and segid "a" ) 4.3 1.2 0.5
assign ( resid 13 and name HD2 and segid "b" )( resid 10 and name HA and segid "a" ) 4.0 2.2 0.5


!xGln-14

assign ( resid 14 and name HN and segid "b" )( resid 13 and name HD2* and segid "a" ) 3.5 1.2 0.8
assign ( resid 14 and name HN and segid "b" )( resid 13 and name HD1* and segid "a" ) 3.5 1.2 0.8


!xIle-17
assign ( resid 17 and name HA and segid "b" )( resid 20 and name HD1* and segid "a" ) 3.5 1.7 1.0
assign ( resid 17 and name HA and segid "b" )( resid 17 and name HA   and segid "a" ) 4.5 2.7 0.5

!cArg-21

assign ( resid 21 and name HD* and segid "a" )( resid 20 and name HD1*  and segid "b" ) 4.5 2.7 1.0
assign ( resid 21 and name HN and segid "a" )( resid 20 and name HD2*  and segid "b" ) 4.5 2.7 1.0

!xLys-21

assign ( resid 21 and name HN and segid "b" )( resid 20 and name HD2* and segid "a" ) 4.0 2.2 1.0
assign ( resid 21 and name HN and segid "b" )( resid 20 and name HD1* and segid "a" ) 4.0 2.2 1.0
assign ( resid 21 and name HA and segid "b" )( resid 20 and name HD2* and segid "a" ) 4.0 2.2 1.0
assign ( resid 21 and name HE* and segid "b" )( resid 20 and name HD2* and segid "a" ) 4.5 2.7 1.0
assign ( resid 21 and name HE* and segid "b" )( resid 20 and name HD1* and segid "a" ) 4.5 2.7 1.0

!xasn-24

assign ( resid 24 and name HA   and segid "b" )( resid 27 and name HD1* and segid "a" ) 3.5 1.7 1.0
assign ( resid 24 and name HB1  and segid "b" )( resid 27 and name HD1* and segid "a" ) 3.5 1.7 1.0
assign ( resid 24 and name HD22 and segid "b" )( resid 24 and name HA and segid "a" ) 4.0 2.2 0.5
assign ( resid 24 and name HD22 and segid "b" )( resid 20 and name HA and segid "a" ) 4.0 2.2 0.5
assign ( resid 24 and name HD22 and segid "b" )( resid 24 and name HB1 and segid "a" ) 4.0 2.2 0.5
assign ( resid 24 and name HD22 and segid "b" )( resid 24 and name HB2 and segid "a" ) 4.0 2.2 0.5
assign ( resid 24 and name HD22 and segid "b" )( resid 23 and name HB* and segid "a" ) 3.5 1.7 0.5
assign ( resid 24 and name HD21 and segid "b" )( resid 23 and name HB* and segid "a" ) 3.5 1.7 0.5
assign ( resid 24 and name HD21 and segid "b" )( resid 24 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 24 and name HD22 and segid "b" )( resid 24 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 24 and name HD22 and segid "b" )( resid 20 and name HD2* and segid "a" ) 3.5 1.7 1.0
assign ( resid 24 and name HD21 and segid "b" )( resid 20 and name HD2* and segid "a" ) 2.8 1.0 1.0
assign ( resid 24 and name HD21 and segid "b" )( resid 24 and name HA and segid "a" ) 4.0 2.2 0.5
assign ( resid 24 and name HD21 and segid "b" )( resid 20 and name HA and segid "a" ) 4.0 2.2 0.5
assign ( resid 24 and name HD22 and segid "b" )( resid 20 and name HB1 and segid "a" ) 3.5 1.7 0.5
assign ( resid 24 and name HD21 and segid "b" )( resid 20 and name HB1 and segid "a" ) 3.5 1.7 0.5
assign ( resid 24 and name HA   and segid "b" )( resid 24 and name HA   and segid "a" ) 4.5 2.7 0.5
assign ( resid 24 and name HB2  and segid "b" )( resid 27 and name HD1* and segid "a" ) 3.5 1.7 1.0
assign ( resid 24 and name HD21 and segid "b" )( resid 23 and name HG* and segid "a" ) 4.0 2.2 1.0


!cArg-23



!cArg-24

assign ( resid 24 and name HD* and segid "a" )( resid 20 and name HD2*   and segid "b" ) 4.0 1.2 0.5
assign ( resid 24 and name HD* and segid "a" )( resid 20 and name HA   and segid "b" ) 4.2 1.2 0.5
assign ( resid 24 and name HE and segid "a" )( resid 20 and name HA   and segid "b" ) 4.5 1.2 0.5

!xLeu-27

!assign ( resid 27 and name HD1* and segid "b" )( resid 28 and name HN and segid "a" ) 3.5 1.2 0.5

!xGlu-28

assign ( resid 28 and name HN and segid "b" )( resid 27 and name HD2* and segid "a" ) 4.5 1.2 0.8
assign ( resid 28 and name HN and segid "b" )( resid 27 and name HD1* and segid "a" ) 4.5 1.2 0.8
assign ( resid 28 and name HA and segid "b" )( resid 27 and name HD2* and segid "a" ) 3.5 1.2 0.8
assign ( resid 28 and name HA and segid "b" )( resid 27 and name HD1* and segid "a" ) 4.5 1.2 0.8

!xVal-31

assign ( resid 31 and name HG2* and segid "b" )( resid 31 and name HN and segid "a" ) 4.5 2.2 0.8

clas hbonds

! Hbonds: intramonomer A


assign ( resid  5 and name O and segid "a" )( resid  9 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid  6 and name O and segid "a" )( resid 10 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid  7 and name O and segid "a" )( resid 11 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid  8 and name O and segid "a" )( resid 12 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid  9 and name O and segid "a" )( resid 13 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 10 and name O and segid "a" )( resid 14 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 11 and name O and segid "a" )( resid 15 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 12 and name O and segid "a" )( resid 16 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 13 and name O and segid "a" )( resid 17 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 14 and name O and segid "a" )( resid 18 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 15 and name O and segid "a" )( resid 19 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 16 and name O and segid "a" )( resid 20 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 17 and name O and segid "a" )( resid 21 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 18 and name O and segid "a" )( resid 22 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 19 and name O and segid "a" )( resid 23 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 20 and name O and segid "a" )( resid 24 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 21 and name O and segid "a" )( resid 25 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 22 and name O and segid "a" )( resid 26 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 23 and name O and segid "a" )( resid 27 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 24 and name O and segid "a" )( resid 28 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 25 and name O and segid "a" )( resid 29 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 26 and name O and segid "a" )( resid 30 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 27 and name O and segid "a" )( resid 31 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 28 and name O and segid "a" )( resid 32 and name N and segid "a" ) 2.8 0.4 0.5

! Hbonds intramonomers B

assign ( resid  5 and name O and segid "b" )( resid  9 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid  6 and name O and segid "b" )( resid 10 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid  7 and name O and segid "b" )( resid 11 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid  8 and name O and segid "b" )( resid 12 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid  9 and name O and segid "b" )( resid 13 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 10 and name O and segid "b" )( resid 14 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 11 and name O and segid "b" )( resid 15 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 12 and name O and segid "b" )( resid 16 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 13 and name O and segid "b" )( resid 17 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 14 and name O and segid "b" )( resid 18 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 15 and name O and segid "b" )( resid 19 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 16 and name O and segid "b" )( resid 20 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 17 and name O and segid "b" )( resid 21 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 18 and name O and segid "b" )( resid 22 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 19 and name O and segid "b" )( resid 23 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 20 and name O and segid "b" )( resid 24 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 21 and name O and segid "b" )( resid 25 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 22 and name O and segid "b" )( resid 26 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 23 and name O and segid "b" )( resid 27 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 24 and name O and segid "b" )( resid 28 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 25 and name O and segid "b" )( resid 29 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 26 and name O and segid "b" )( resid 30 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 27 and name O and segid "b" )( resid 31 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 28 and name O and segid "b" )( resid 32 and name N and segid "b" ) 2.8 0.4 0.5


set message=on echo=on end 



set message=on echo=off end 
restraints dihedral reset



! phi restraints c-Myc   


assign ( resid 6 and name c  and segid "a" )( resid 7 and name n  and segid "a" ) 
       ( resid 7 and name ca and segid "a" )( resid 7 and name c  and segid "a" ) 1.0 -60 40 2

assign ( resid 7 and name C  and segid "a" )( resid 8 and name N  and segid "a" ) 
           ( resid 8 and name CA and segid "a" )( resid 8 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 8 and name C  and segid "a" )( resid 9 and name N  and segid "a" ) 
           ( resid 9 and name CA and segid "a" )( resid 9 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 9 and name C  and segid "a" )( resid 10 and name N  and segid "a" ) 
           ( resid 10 and name CA and segid "a" )( resid 10 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 10 and name C  and segid "a" )( resid 11 and name N  and segid "a" ) 
           ( resid 11 and name CA and segid "a" )( resid 11 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 11 and name C  and segid "a" )( resid 12 and name N  and segid "a" )
           ( resid 12 and name CA and segid "a" )( resid 12 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 12 and name C  and segid "a" )( resid 13 and name N  and segid "a" )
           ( resid 13 and name CA and segid "a" )( resid 13 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 13 and name C  and segid "a" )( resid 14 and name N  and segid "a" )
           ( resid 14 and name CA and segid "a" )( resid 14 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 14 and name C  and segid "a" )( resid 15 and name N  and segid "a" )
           ( resid 15 and name CA and segid "a" )( resid 15 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 15 and name C  and segid "a" )( resid 16 and name N  and segid "a" )
           ( resid 16 and name CA and segid "a" )( resid 16 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 16 and name C  and segid "a" )( resid 17 and name N  and segid "a" )
           ( resid 17 and name CA and segid "a" )( resid 17 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 17 and name C  and segid "a" )( resid 18 and name N  and segid "a" )
           ( resid 18 and name CA and segid "a" )( resid 18 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 18 and name C  and segid "a" )( resid 19 and name N  and segid "a" )
           ( resid 19 and name CA and segid "a" )( resid 19 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 19 and name C  and segid "a" )( resid 20 and name N  and segid "a" )
           ( resid 20 and name CA and segid "a" )( resid 20 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 20 and name C  and segid "a" )( resid 21 and name N  and segid "a" )
           ( resid 21 and name CA and segid "a" )( resid 21 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 21 and name C  and segid "a" )( resid 22 and name N  and segid "a" )
           ( resid 22 and name CA and segid "a" )( resid 22 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 22 and name C  and segid "a" )( resid 23 and name N  and segid "a" )
           ( resid 23 and name CA and segid "a" )( resid 23 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 23 and name C  and segid "a" )( resid 24 and name N  and segid "a" )
           ( resid 24 and name CA and segid "a" )( resid 24 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 24 and name C  and segid "a" )( resid 25 and name N  and segid "a" )
           ( resid 25 and name CA and segid "a" )( resid 25 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 25 and name C  and segid "a" )( resid 26 and name N  and segid "a" )
           ( resid 26 and name CA and segid "a" )( resid 26 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 26 and name C  and segid "a" )( resid 27 and name N  and segid "a" )
           ( resid 27 and name CA and segid "a" )( resid 27 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 27 and name C  and segid "a" )( resid 28 and name N  and segid "a" )
           ( resid 28 and name CA and segid "a" )( resid 28 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 28 and name C  and segid "a" )( resid 29 and name N  and segid "a" )
           ( resid 29 and name CA and segid "a" )( resid 29 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 29 and name C  and segid "a" )( resid 30 and name N  and segid "a" )
           ( resid 30 and name CA and segid "a" )( resid 30 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 30 and name C  and segid "a" )( resid 31 and name N  and segid "a" )
           ( resid 31 and name CA and segid "a" )( resid 31 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 31 and name C  and segid "a" )( resid 32 and name N  and segid "a" )
           ( resid 32 and name CA and segid "a" )( resid 32 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 32 and name C  and segid "a" )( resid 33 and name N  and segid "a" )
           ( resid 33 and name CA and segid "a" )( resid 33 and name C  and segid "a" ) 1.0 -60 40 2


! phi restraints Max


assign ( resid 6 and name C  and segid "b" )( resid 7 and name N  and segid "b" )
           ( resid 7 and name CA and segid "b" )( resid 7 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 7 and name C  and segid "b" )( resid 8 and name N  and segid "b" )
           ( resid 8 and name CA and segid "b" )( resid 8 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 8 and name C  and segid "b" )( resid 9 and name N  and segid "b" )
       ( resid 9 and name CA and segid "b" )( resid 9 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 9 and name C  and segid "b" )( resid 10 and name N  and segid "b" )
       ( resid 10 and name CA and segid "b" )( resid 10 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 10 and name C  and segid "b" )( resid 11 and name N  and segid "b" )
           ( resid 11 and name CA and segid "b" )( resid 11 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 11 and name C  and segid "b" )( resid 12 and name N  and segid "b" )
       ( resid 12 and name CA and segid "b" )( resid 12 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 12 and name C  and segid "b" )( resid 13 and name N  and segid "b" )
       ( resid 13 and name CA and segid "b" )( resid 13 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 13 and name C  and segid "b" )( resid 14 and name N  and segid "b" )
       ( resid 14 and name CA and segid "b" )( resid 14 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 14 and name C  and segid "b" )( resid 15 and name N  and segid "b" )
       ( resid 15 and name CA and segid "b" )( resid 15 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 15 and name C  and segid "b" )( resid 16 and name N  and segid "b" )
           ( resid 16 and name CA and segid "b" )( resid 16 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 16 and name C  and segid "b" )( resid 17 and name N  and segid "b" )
           ( resid 17 and name CA and segid "b" )( resid 17 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 17 and name C  and segid "b" )( resid 18 and name N  and segid "b" )
       ( resid 18 and name CA and segid "b" )( resid 18 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 18 and name C  and segid "b" )( resid 19 and name N  and segid "b" )
       ( resid 19 and name CA and segid "b" )( resid 19 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 19 and name C  and segid "b" )( resid 20 and name N  and segid "b" )
       ( resid 20 and name CA and segid "b" )( resid 20 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 20 and name C  and segid "b" )( resid 21 and name N  and segid "b" )
           ( resid 21 and name CA and segid "b" )( resid 21 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 22 and name C  and segid "b" )( resid 23 and name N  and segid "b" )
           ( resid 23 and name CA and segid "b" )( resid 23 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 23 and name C  and segid "b" )( resid 24 and name N  and segid "b" )
           ( resid 24 and name CA and segid "b" )( resid 24 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 24 and name C  and segid "b" )( resid 25 and name N  and segid "b" )
           ( resid 25 and name CA and segid "b" )( resid 25 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 25 and name C  and segid "b" )( resid 26 and name N  and segid "b" )
           ( resid 26 and name CA and segid "b" )( resid 26 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 26 and name C  and segid "b" )( resid 27 and name N  and segid "b" )
           ( resid 27 and name CA and segid "b" )( resid 27 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 27 and name C  and segid "b" )( resid 28 and name N  and segid "b" )
           ( resid 28 and name CA and segid "b" )( resid 28 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 28 and name C  and segid "b" )( resid 29 and name N  and segid "b" )
           ( resid 29 and name CA and segid "b" )( resid 29 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 29 and name C  and segid "b" )( resid 30 and name N  and segid "b" )
       ( resid 30 and name CA and segid "b" )( resid 30 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 30 and name C  and segid "b" )( resid 31 and name N  and segid "b" )
           ( resid 31 and name CA and segid "b" )( resid 31 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 31 and name C  and segid "b" )( resid 32 and name N  and segid "b" )
           ( resid 32 and name CA and segid "b" )( resid 32 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 32 and name C  and segid "b" )( resid 33 and name N  and segid "b" )
       ( resid 33 and name CA and segid "b" )( resid 33 and name C  and segid "b" ) 1.0 -60 40 2

!chi 1 c-Myc

assign ( resid 13 and name N  and segid "a" )( resid 13 and name CA and segid "a" )
           ( resid 13 and name CB and segid "a" )( resid 13 and name CG and segid "a" ) 1.0 -60 40 2 
           
assign ( resid 14 and name N  and segid "a" )( resid 14 and name CA and segid "a" )
           ( resid 14 and name CB and segid "a" )( resid 14 and name CG1 and segid "a" ) 1.0 -60 40 2

assign ( resid 20 and name N  and segid "a" )( resid 20 and name CA and segid "a" )
           ( resid 20 and name CB and segid "a" )( resid 20 and name CG and segid "a" ) 1.0 -60 40 2

assign ( resid 27 and name N  and segid "a" )( resid 27 and name CA and segid "a" )
           ( resid 27 and name CB and segid "a" )( resid 27 and name CG and segid "a" ) 1.0 -60 40 2

assign ( resid 34 and name N  and segid "a" )( resid 34 and name CA and segid "a" )
           ( resid 34 and name CB and segid "a" )( resid 34 and name CG and segid "a" ) 1.0 -60 40 2

!chi 1 Max

assign ( resid 10 and name N  and segid "b" )( resid 10 and name CA and segid "b" )
           ( resid 10 and name CB and segid "b" )( resid 10 and name CG and segid "b" ) 1.0 -60 40 2

assign ( resid 13 and name N  and segid "b" )( resid 13 and name CA and segid "b" )
           ( resid 13 and name CB and segid "b" )( resid 13 and name CG and segid "b" ) 1.0 -60 40 2

assign ( resid 16 and name N  and segid "b" )( resid 16 and name CA and segid "b" )
           ( resid 16 and name CB and segid "b" )( resid 16 and name CG and segid "b" ) 1.0 180 40 2

assign ( resid 17 and name N  and segid "b" )( resid 17 and name CA and segid "b" )
           ( resid 17 and name CB and segid "b" )( resid 17 and name CG1 and segid "b" ) 1.0 -60 40 2

assign ( resid 18 and name N  and segid "b" )( resid 18 and name CA and segid "b" )
           ( resid 18 and name CB and segid "b" )( resid 18 and name CG and segid "b" ) 1.0 -60 40 2

assign ( resid 19 and name N  and segid "b" )( resid 19 and name CA and segid "b" )
           ( resid 19 and name CB and segid "b" )( resid 19 and name CG and segid "b" ) 1.0 180 40 2

assign ( resid 20 and name N  and segid "b" )( resid 20 and name CA and segid "b" )
           ( resid 20 and name CB and segid "b" )( resid 20 and name CG and segid "b" ) 1.0 -60 40 2
                          
assign ( resid 24 and name N  and segid "b" )( resid 24 and name CA and segid "b" )
           ( resid 24 and name CB and segid "b" )( resid 24 and name CG and segid "b" ) 1.0 -60 40 2

assign ( resid 27 and name N  and segid "b" )( resid 27 and name CA and segid "b" )
           ( resid 27 and name CB and segid "b" )( resid 27 and name CG and segid "b" ) 1.0 -60 40 2
                                           
assign ( resid 34 and name N  and segid "b" )( resid 34 and name CA and segid "b" )
       ( resid 34 and name CB and segid "b" )( resid 34 and name CG and segid "b" ) 1.0 -60 40 2
end
set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    ACE   2          1HA       ACE   2  -0.952  20.380  20.380
    2   2H    ACE   2          2HA       ACE   2  -2.303  21.222  21.222
    3   3H    ACE   2          3HA       ACE   2  -1.007  22.143  22.143
    4    H    CYS   3           H        CYS   3  -1.420  22.959  22.959
    5    HA   CYS   3           HA       CYS   3   0.094  21.436  21.436
    6   1HB   CYS   3          2HB       CYS   3  -1.999  22.855  22.855
    7   2HB   CYS   3          1HB       CYS   3  -0.928  24.249  24.249
    8    H    GLY   4           H        GLY   4   2.192  21.672  21.672
    9   1HA   GLY   4          2HA       GLY   4   3.565  24.184  24.184
   10   2HA   GLY   4          1HA       GLY   4   3.980  23.082  23.082
   11    H    GLY   5           H        GLY   5   3.898  20.648  20.648
   12   1HA   GLY   5          2HA       GLY   5   5.890  20.918  20.918
   13   2HA   GLY   5          1HA       GLY   5   6.212  19.860  19.860
   14    H    VAL   6           H        VAL   6   3.634  20.496  20.496
   15    HA   VAL   6           HA       VAL   6   2.433  17.944  17.944
   16    HB   VAL   6           HB       VAL   6   2.464  19.765  19.765
   17   1HG1  VAL   6          1HG1      VAL   6   0.897  17.382  17.382
   18   2HG1  VAL   6          3HG1      VAL   6   0.023  18.664  18.664
   19   3HG1  VAL   6          2HG1      VAL   6   1.386  17.866  17.866
   20   1HG2  VAL   6          3HG2      VAL   6   0.891  19.838  19.838
   21   2HG2  VAL   6          2HG2      VAL   6   1.729  21.161  21.161
   22   3HG2  VAL   6          1HG2      VAL   6   0.232  20.518  20.518
   23    H    GLN   7           H        GLN   7   5.118  19.192  19.192
   24    HA   GLN   7           HA       GLN   7   5.354  17.099  17.099
   25   1HB   GLN   7          2HB       GLN   7   7.494  18.872  18.872
   26   2HB   GLN   7          1HB       GLN   7   7.724  17.828  17.828
   27   1HG   GLN   7          2HG       GLN   7   6.121  19.056  19.056
   28   2HG   GLN   7          1HG       GLN   7   5.562  19.940  19.940
   29   1HE2  GLN   7          2HE2      GLN   7   8.738  21.316  21.316
   30   2HE2  GLN   7          1HE2      GLN   7   7.825  19.985  19.985
   31    H    ALA   8           H        ALA   8   6.726  17.529  17.529
   32    HA   ALA   8           HA       ALA   8   8.298  15.162  15.162
   33   1HB   ALA   8          3HB       ALA   8   7.121  16.728  16.728
   34   2HB   ALA   8          2HB       ALA   8   8.316  15.442  15.442
   35   3HB   ALA   8          1HB       ALA   8   8.732  16.926  16.926
   36    H    GLU   9           H        GLU   9   5.119  15.881  15.881
   37    HA   GLU   9           HA       GLU   9   4.603  13.260  13.260
   38   1HB   GLU   9          2HB       GLU   9   3.364  15.564  15.564
   39   2HB   GLU   9          1HB       GLU   9   2.344  15.001  15.001
   40   1HG   GLU   9          2HG       GLU   9   1.749  13.008  13.008
   41   2HG   GLU   9          1HG       GLU   9   3.007  13.266  13.266
   42    H    GLU  10           H        GLU  10   3.980  14.877  14.877
   43    HA   GLU  10           HA       GLU  10   2.381  12.784  12.784
   44   1HB   GLU  10          2HB       GLU  10   2.410  15.167  15.167
   45   2HB   GLU  10          1HB       GLU  10   4.002  14.847  14.847
   46   1HG   GLU  10          2HG       GLU  10   2.894  12.840  12.840
   47   2HG   GLU  10          1HG       GLU  10   1.359  13.593  13.593
   48    H    GLN  11           H        GLN  11   5.812  13.490  13.490
   49    HA   GLN  11           HA       GLN  11   6.709  11.743  11.743
   50   1HB   GLN  11          2HB       GLN  11   8.063  13.500  13.500
   51   2HB   GLN  11          1HB       GLN  11   8.219  12.287  12.287
   52   1HG   GLN  11          2HG       GLN  11   9.396  10.790  10.790
   53   2HG   GLN  11          1HG       GLN  11   8.924  11.672  11.672
   54   1HE2  GLN  11          2HE2      GLN  11  11.339  14.303  14.303
   55   2HE2  GLN  11          1HE2      GLN  11   9.779  14.040  14.040
   56    H    LYS  12           H        LYS  12   5.958  11.220  11.220
   57    HA   LYS  12           HA       LYS  12   6.916   8.526   8.526
   58   1HB   LYS  12          2HB       LYS  12   4.985  10.043  10.043
   59   2HB   LYS  12          1HB       LYS  12   5.542   8.402   8.402
   60   1HG   LYS  12          2HG       LYS  12   7.931   9.511   9.511
   61   2HG   LYS  12          1HG       LYS  12   7.062  10.976  10.976
   62   1HD   LYS  12          2HD       LYS  12   6.460  10.080  10.080
   63   2HD   LYS  12          1HD       LYS  12   6.872   8.436   8.436
   64   1HE   LYS  12          2HE       LYS  12   9.273   9.456   9.456
   65   2HE   LYS  12          1HE       LYS  12   8.695  10.700  10.700
   66   1HZ   LYS  12          2HZ       LYS  12   8.448   7.813   7.813
   67   2HZ   LYS  12          1HZ       LYS  12   9.831   8.706   8.706
   68   3HZ   LYS  12          3HZ       LYS  12   8.322   9.127   9.127
   69    H    LEU  13           H        LEU  13   3.791  10.036  10.036
   70    HA   LEU  13           HA       LEU  13   2.212   7.698   7.698
   71   1HB   LEU  13          2HB       LEU  13   1.933  10.452  10.452
   72   2HB   LEU  13          1HB       LEU  13   0.889   9.212   9.212
   73    HG   LEU  13           HG       LEU  13   1.181   9.618   9.618
   74   1HD1  LEU  13          1HD1      LEU  13  -0.699  10.883  10.883
   75   2HD1  LEU  13          3HD1      LEU  13  -1.159  10.677  10.677
   76   3HD1  LEU  13          2HD1      LEU  13   0.240  11.667  11.667
   77   1HD2  LEU  13          1HD2      LEU  13   0.215   7.480   7.480
   78   2HD2  LEU  13          3HD2      LEU  13  -0.477   8.031   8.031
   79   3HD2  LEU  13          2HD2      LEU  13  -1.237   8.482   8.482
   80    H    ILE  14           H        ILE  14   4.252   9.172   9.172
   81    HA   ILE  14           HA       ILE  14   3.336   7.505   7.505
   82    HB   ILE  14           HB       ILE  14   5.904   9.094   9.094
   83   1HG1  ILE  14          2HG1      ILE  14   3.496  10.020  10.020
   84   2HG1  ILE  14          1HG1      ILE  14   3.499  10.217  10.217
   85   1HG2  ILE  14          1HG2      ILE  14   5.838   7.366   7.366
   86   2HG2  ILE  14          3HG2      ILE  14   4.367   8.111   8.111
   87   3HG2  ILE  14          2HG2      ILE  14   5.886   9.006   9.006
   88   1HD1  ILE  14          1HD1      ILE  14   5.971  11.035  11.035
   89   2HD1  ILE  14          3HD1      ILE  14   4.551  12.060  12.060
   90   3HD1  ILE  14          2HD1      ILE  14   5.196  11.763  11.763
   91    H    SER  15           H        SER  15   6.381   7.647   7.647
   92    HA   SER  15           HA       SER  15   7.526   5.318   5.318
   93   1HB   SER  15          2HB       SER  15   8.932   5.314   5.314
   94   2HB   SER  15          1HB       SER  15   8.879   6.880   6.880
   95    HG   SER  15           HG       SER  15   8.340   6.443   6.443
   96    H    GLU  16           H        GLU  16   5.339   5.799   5.799
   97    HA   GLU  16           HA       GLU  16   5.488   3.192   3.192
   98   1HB   GLU  16          2HB       GLU  16   4.432   5.185   5.185
   99   2HB   GLU  16          1HB       GLU  16   3.064   5.002   5.002
  100   1HG   GLU  16          2HG       GLU  16   3.011   2.538   2.538
  101   2HG   GLU  16          1HG       GLU  16   4.002   3.122   3.122
  102    H    GLU  17           H        GLU  17   3.581   4.589   4.589
  103    HA   GLU  17           HA       GLU  17   1.820   2.379   2.379
  104   1HB   GLU  17          2HB       GLU  17   1.446   4.706   4.706
  105   2HB   GLU  17          1HB       GLU  17   2.681   4.364   4.364
  106   1HG   GLU  17          2HG       GLU  17   1.271   2.231   2.231
  107   2HG   GLU  17          1HG       GLU  17  -0.023   3.083   3.083
  108    H    ASP  18           H        ASP  18   4.925   3.295   3.295
  109    HA   ASP  18           HA       ASP  18   5.061   1.267   1.267
  110   1HB   ASP  18          2HB       ASP  18   6.592   3.351   3.351
  111   2HB   ASP  18          1HB       ASP  18   7.512   2.265   2.265
  112    H    LEU  19           H        LEU  19   5.913   1.333   1.333
  113    HA   LEU  19           HA       LEU  19   7.315  -1.116  -1.116
  114   1HB   LEU  19          2HB       LEU  19   6.032   0.706   0.706
  115   2HB   LEU  19          1HB       LEU  19   6.176  -0.969  -0.969
  116    HG   LEU  19           HG       LEU  19   8.155   0.348   0.348
  117   1HD1  LEU  19          3HD1      LEU  19   8.174  -2.139  -2.139
  118   2HD1  LEU  19          2HD1      LEU  19   9.191  -1.389  -1.389
  119   3HD1  LEU  19          1HD1      LEU  19   9.665  -1.321  -1.321
  120   1HD2  LEU  19          1HD2      LEU  19   8.387   0.809   0.809
  121   2HD2  LEU  19          3HD2      LEU  19   8.230   2.029   2.029
  122   3HD2  LEU  19          2HD2      LEU  19   9.714   1.088   1.088
  123    H    LEU  20           H        LEU  20   3.885  -0.329  -0.329
  124    HA   LEU  20           HA       LEU  20   3.068  -2.999  -2.999
  125   1HB   LEU  20          2HB       LEU  20   1.696  -0.438  -0.438
  126   2HB   LEU  20          1HB       LEU  20   0.787  -1.934  -1.934
  127    HG   LEU  20           HG       LEU  20   2.323  -1.578  -1.578
  128   1HD1  LEU  20          2HD1      LEU  20   1.103   0.574   0.574
  129   2HD1  LEU  20          1HD1      LEU  20  -0.399  -0.339  -0.339
  130   3HD1  LEU  20          3HD1      LEU  20   0.487  -0.333  -0.333
  131   1HD2  LEU  20          2HD2      LEU  20   0.840  -3.596  -3.596
  132   2HD2  LEU  20          1HD2      LEU  20   0.808  -3.140  -3.140
  133   3HD2  LEU  20          3HD2      LEU  20  -0.479  -2.606  -2.606
  134    H    ARG  21           H        ARG  21   3.462  -1.137  -1.137
  135    HA   ARG  21           HA       ARG  21   2.036  -2.816  -2.816
  136   1HB   ARG  21          2HB       ARG  21   4.210  -0.786  -0.786
  137   2HB   ARG  21          1HB       ARG  21   3.840  -1.845  -1.845
  138   1HG   ARG  21          2HG       ARG  21   1.762  -0.929  -0.929
  139   2HG   ARG  21          1HG       ARG  21   1.519  -0.606  -0.606
  140   1HD   ARG  21          2HD       ARG  21   1.781   1.501   1.501
  141   2HD   ARG  21          1HD       ARG  21   3.140   1.257   1.257
  142    HE   ARG  21           HE       ARG  21   4.023   0.195   0.195
  143   1HH1  ARG  21          1HH1      ARG  21   2.627   3.278   3.278
  144   2HH1  ARG  21          2HH1      ARG  21   3.475   4.148   4.148
  145   1HH2  ARG  21          1HH2      ARG  21   5.110   1.367   1.367
  146   2HH2  ARG  21          2HH2      ARG  21   4.871   3.077   3.077
  147    H    LYS  22           H        LYS  22   5.433  -2.800  -2.800
  148    HA   LYS  22           HA       LYS  22   6.307  -4.909  -4.909
  149   1HB   LYS  22          2HB       LYS  22   7.334  -3.860  -3.860
  150   2HB   LYS  22          1HB       LYS  22   8.135  -5.157  -5.157
  151   1HG   LYS  22          2HG       LYS  22   7.435  -2.606  -2.606
  152   2HG   LYS  22          1HG       LYS  22   8.874  -2.666  -2.666
  153   1HD   LYS  22          2HD       LYS  22   8.458  -4.907  -4.907
  154   2HD   LYS  22          1HD       LYS  22   8.967  -3.350  -3.350
  155   1HE   LYS  22          2HE       LYS  22  10.948  -3.326  -3.326
  156   2HE   LYS  22          1HE       LYS  22  10.369  -4.638  -4.638
  157   1HZ   LYS  22          2HZ       LYS  22  10.335  -6.001  -6.001
  158   2HZ   LYS  22          1HZ       LYS  22  11.290  -4.770  -4.770
  159   3HZ   LYS  22          3HZ       LYS  22  11.858  -5.641  -5.641
  160    H    ARG  23           H        ARG  23   4.884  -4.846  -4.846
  161    HA   ARG  23           HA       ARG  23   5.258  -7.614  -7.614
  162   1HB   ARG  23          2HB       ARG  23   4.722  -5.759  -5.759
  163   2HB   ARG  23          1HB       ARG  23   3.052  -5.887  -5.887
  164   1HG   ARG  23          2HG       ARG  23   3.181  -8.367  -8.367
  165   2HG   ARG  23          1HG       ARG  23   4.733  -8.056  -8.056
  166   1HD   ARG  23          2HD       ARG  23   3.733  -6.630  -6.630
  167   2HD   ARG  23          1HD       ARG  23   2.212  -6.568  -6.568
  168    HE   ARG  23           HE       ARG  23   1.615  -8.556  -8.556
  169   1HH1  ARG  23          1HH1      ARG  23   5.087  -8.162  -8.162
  170   2HH1  ARG  23          2HH1      ARG  23   5.301  -9.555  -9.555
  171   1HH2  ARG  23          1HH2      ARG  23   1.939 -10.364 -10.364
  172   2HH2  ARG  23          2HH2      ARG  23   3.535 -10.792 -10.792
  173    H    ARG  24           H        ARG  24   2.776  -5.758  -5.758
  174    HA   ARG  24           HA       ARG  24   0.743  -7.717  -7.717
  175   1HB   ARG  24          2HB       ARG  24   0.483  -5.286  -5.286
  176   2HB   ARG  24          1HB       ARG  24   1.292  -5.666  -5.666
  177   1HG   ARG  24          2HG       ARG  24  -0.435  -7.245  -7.245
  178   2HG   ARG  24          1HG       ARG  24  -1.188  -7.100  -7.100
  179   1HD   ARG  24          2HD       ARG  24  -1.726  -4.759  -4.759
  180   2HD   ARG  24          1HD       ARG  24  -0.888  -4.823  -4.823
  181    HE   ARG  24           HE       ARG  24  -3.545  -5.805  -5.805
  182   1HH1  ARG  24          1HH1      ARG  24  -0.736  -6.147  -6.147
  183   2HH1  ARG  24          2HH1      ARG  24  -1.639  -6.826  -6.826
  184   1HH2  ARG  24          1HH2      ARG  24  -4.683  -6.692  -6.692
  185   2HH2  ARG  24          2HH2      ARG  24  -3.855  -7.132  -7.132
  186    H    GLU  25           H        GLU  25   3.171  -6.857  -6.857
  187    HA   GLU  25           HA       GLU  25   2.532  -8.943  -8.943
  188   1HB   GLU  25          2HB       GLU  25   4.063  -6.823  -6.823
  189   2HB   GLU  25          1HB       GLU  25   5.339  -7.922  -7.922
  190   1HG   GLU  25          2HG       GLU  25   5.403  -8.330  -8.330
  191   2HG   GLU  25          1HG       GLU  25   4.197  -9.526  -9.526
  192    H    GLN  26           H        GLN  26   4.666  -8.775  -8.775
  193    HA   GLN  26           HA       GLN  26   6.080 -11.187 -11.187
  194   1HB   GLN  26          2HB       GLN  26   5.459  -9.520  -9.520
  195   2HB   GLN  26          1HB       GLN  26   6.228 -11.097 -11.097
  196   1HG   GLN  26          2HG       GLN  26   8.055 -10.433 -10.433
  197   2HG   GLN  26          1HG       GLN  26   7.264  -8.893  -8.893
  198   1HE2  GLN  26          2HE2      GLN  26   8.961  -7.430  -7.430
  199   2HE2  GLN  26          1HE2      GLN  26   8.463  -7.319  -7.319
  200    H    LEU  27           H        LEU  27   3.079 -10.473 -10.473
  201    HA   LEU  27           HA       LEU  27   2.621 -13.075 -13.075
  202   1HB   LEU  27          2HB       LEU  27   0.743 -10.797 -10.797
  203   2HB   LEU  27          1HB       LEU  27   0.196 -12.314 -12.314
  204    HG   LEU  27           HG       LEU  27   2.503 -10.821 -10.821
  205   1HD1  LEU  27          2HD1      LEU  27   0.348  -9.374  -9.374
  206   2HD1  LEU  27          1HD1      LEU  27  -0.325 -10.366 -10.366
  207   3HD1  LEU  27          3HD1      LEU  27   1.109  -9.385  -9.385
  208   1HD2  LEU  27          3HD2      LEU  27   0.492 -12.902 -12.902
  209   2HD2  LEU  27          2HD2      LEU  27   2.241 -12.896 -12.896
  210   3HD2  LEU  27          1HD2      LEU  27   1.217 -11.882 -11.882
  211    H    LYS  28           H        LYS  28   1.860 -11.534 -11.534
  212    HA   LYS  28           HA       LYS  28   0.173 -13.635 -13.635
  213   1HB   LYS  28          2HB       LYS  28   0.351 -11.179 -11.179
  214   2HB   LYS  28          1HB       LYS  28   1.714 -11.767 -11.767
  215   1HG   LYS  28          2HG       LYS  28   0.386 -13.050 -13.050
  216   2HG   LYS  28          1HG       LYS  28  -0.780 -13.391 -13.391
  217   1HD   LYS  28          2HD       LYS  28  -1.410 -10.894 -10.894
  218   2HD   LYS  28          1HD       LYS  28  -0.534 -10.903 -10.903
  219   1HE   LYS  28          2HE       LYS  28  -2.778 -11.376 -11.376
  220   2HE   LYS  28          1HE       LYS  28  -1.978 -12.948 -12.948
  221   1HZ   LYS  28          1HZ       LYS  28  -3.247 -11.982 -11.982
  222   2HZ   LYS  28          3HZ       LYS  28  -4.215 -12.644 -12.644
  223   3HZ   LYS  28          2HZ       LYS  28  -2.982 -13.577 -13.577
  224    H    HIS  29           H        HIS  29   3.609 -12.945 -12.945
  225    HA   HIS  29           HA       HIS  29   4.271 -14.908 -14.908
  226   1HB   HIS  29          2HB       HIS  29   5.905 -13.432 -13.432
  227   2HB   HIS  29          1HB       HIS  29   6.611 -14.621 -14.621
  228    HD1  HIS  29           HD1      HIS  29   5.434 -14.064 -14.064
  229    HD2  HIS  29           HD2      HIS  29   6.368 -10.958 -10.958
  230    HE1  HIS  29           HE1      HIS  29   5.668 -11.978 -11.978
  231    H    LYS  30           H        LYS  30   3.965 -14.888 -14.888
  232    HA   LYS  30           HA       LYS  30   5.215 -17.404 -17.404
  233   1HB   LYS  30          2HB       LYS  30   4.738 -15.615 -15.615
  234   2HB   LYS  30          1HB       LYS  30   3.056 -16.142 -16.142
  235   1HG   LYS  30          2HG       LYS  30   3.774 -17.547 -17.547
  236   2HG   LYS  30          1HG       LYS  30   4.254 -18.542 -18.542
  237   1HD   LYS  30          2HD       LYS  30   6.512 -17.872 -17.872
  238   2HD   LYS  30          1HD       LYS  30   6.120 -16.466 -16.466
  239   1HE   LYS  30          2HE       LYS  30   5.207 -18.286 -18.286
  240   2HE   LYS  30          1HE       LYS  30   6.292 -19.355 -19.355
  241   1HZ   LYS  30          2HZ       LYS  30   7.161 -16.748 -16.748
  242   2HZ   LYS  30          1HZ       LYS  30   7.269 -18.198 -18.198
  243   3HZ   LYS  30          3HZ       LYS  30   8.134 -18.019 -18.019
  244    H    LEU  31           H        LEU  31   1.953 -16.402 -16.402
  245    HA   LEU  31           HA       LEU  31   0.909 -19.111 -19.111
  246   1HB   LEU  31          2HB       LEU  31  -0.284 -16.715 -16.715
  247   2HB   LEU  31          1HB       LEU  31  -0.744 -17.017 -17.017
  248    HG   LEU  31           HG       LEU  31  -2.448 -17.911 -17.911
  249   1HD1  LEU  31          2HD1      LEU  31  -1.811 -19.124 -19.124
  250   2HD1  LEU  31          1HD1      LEU  31  -0.883 -20.235 -20.235
  251   3HD1  LEU  31          3HD1      LEU  31  -2.629 -20.108 -20.108
  252   1HD2  LEU  31          2HD2      LEU  31  -0.586 -18.342 -18.342
  253   2HD2  LEU  31          1HD2      LEU  31  -1.997 -19.399 -19.399
  254   3HD2  LEU  31          3HD2      LEU  31  -0.470 -19.924 -19.924
  255    H    GLU  32           H        GLU  32   1.466 -16.757 -16.757
  256    HA   GLU  32           HA       GLU  32   0.566 -18.483 -18.483
  257   1HB   GLU  32          2HB       GLU  32   0.717 -15.955 -15.955
  258   2HB   GLU  32          1HB       GLU  32   2.463 -16.147 -16.147
  259   1HG   GLU  32          2HG       GLU  32   0.666 -17.738 -17.738
  260   2HG   GLU  32          1HG       GLU  32   0.931 -16.032 -16.032
  261    H    GLN  33           H        GLN  33   3.844 -17.244 -17.244
  262    HA   GLN  33           HA       GLN  33   5.168 -19.135 -19.135
  263   1HB   GLN  33          2HB       GLN  33   5.990 -16.883 -16.883
  264   2HB   GLN  33          1HB       GLN  33   6.581 -18.027 -18.027
  265   1HG   GLN  33          2HG       GLN  33   7.138 -18.271 -18.271
  266   2HG   GLN  33          1HG       GLN  33   8.245 -17.515 -17.515
  267   1HE2  GLN  33          2HE2      GLN  33   9.416 -20.585 -20.585
  268   2HE2  GLN  33          1HE2      GLN  33   9.482 -18.890 -18.890
  269    H    LEU  34           H        LEU  34   5.251 -18.936 -18.936
  270    HA   LEU  34           HA       LEU  34   6.006 -21.734 -21.734
  271   1HB   LEU  34          2HB       LEU  34   5.748 -19.455 -19.455
  272   2HB   LEU  34          1HB       LEU  34   5.634 -21.093 -21.093
  273    HG   LEU  34           HG       LEU  34   7.888 -20.141 -20.141
  274   1HD1  LEU  34          3HD1      LEU  34   7.766 -18.987 -18.987
  275   2HD1  LEU  34          2HD1      LEU  34   7.947 -20.575 -20.575
  276   3HD1  LEU  34          1HD1      LEU  34   9.235 -19.925 -19.925
  277   1HD2  LEU  34          2HD2      LEU  34   7.267 -22.664 -22.664
  278   2HD2  LEU  34          1HD2      LEU  34   7.765 -22.491 -22.491
  279   3HD2  LEU  34          3HD2      LEU  34   8.933 -22.235 -22.235
  280   1HN   NH2  35          1HT       LEU  34   4.723 -23.157 -23.157
  281   2HN   NH2  35          2HT       LEU  34   3.031 -23.074 -23.074
  282   1H    ACE   2          1HA       ACE   2  -1.396  28.671  28.671
  283   2H    ACE   2          2HA       ACE   2   0.158  28.088  28.088
  284   3H    ACE   2          3HA       ACE   2  -0.120  28.244  28.244
  285    H    CYS   3           H        CYS   3  -1.815  26.860  26.860
  286    HA   CYS   3           HA       CYS   3  -1.616  24.159  24.159
  287   1HB   CYS   3          2HB       CYS   3  -3.040  25.150  25.150
  288   2HB   CYS   3          1HB       CYS   3  -2.676  23.471  23.471
  289    H    GLY   4           H        GLY   4  -2.984  23.553  23.553
  290   1HA   GLY   4          2HA       GLY   4  -5.847  23.830  23.830
  291   2HA   GLY   4          1HA       GLY   4  -5.221  24.688  24.688
  292    H    GLY   5           H        GLY   5  -3.888  21.673  21.673
  293   1HA   GLY   5          2HA       GLY   5  -5.326  19.986  19.986
  294   2HA   GLY   5          1HA       GLY   5  -3.689  20.337  20.337
  295    H    MET   6           H        MET   6  -4.625  20.085  20.085
  296    HA   MET   6           HA       MET   6  -2.599  18.091  18.091
  297   1HB   MET   6          2HB       MET   6  -4.720  19.215  19.215
  298   2HB   MET   6          1HB       MET   6  -3.344  18.223  18.223
  299   1HG   MET   6          2HG       MET   6  -1.779  19.906  19.906
  300   2HG   MET   6          1HG       MET   6  -2.978  20.804  20.804
  301   1HE   MET   6          1HE       MET   6  -2.278  19.108  19.108
  302   2HE   MET   6          3HE       MET   6  -2.488  20.278  20.278
  303   3HE   MET   6          2HE       MET   6  -3.873  19.379  19.379
  304    H    ARG   7           H        ARG   7  -6.111  18.154  18.154
  305    HA   ARG   7           HA       ARG   7  -6.348  15.385  15.385
  306   1HB   ARG   7          2HB       ARG   7  -8.046  17.136  17.136
  307   2HB   ARG   7          1HB       ARG   7  -8.517  17.195  17.195
  308   1HG   ARG   7          2HG       ARG   7  -8.925  14.708  14.708
  309   2HG   ARG   7          1HG       ARG   7  -8.662  14.802  14.802
  310   1HD   ARG   7          2HD       ARG   7 -10.619  15.965  15.965
  311   2HD   ARG   7          1HD       ARG   7 -10.605  16.714  16.714
  312    HE   ARG   7           HE       ARG   7 -11.811  14.184  14.184
  313   1HH1  ARG   7          1HH1      ARG   7 -10.420  16.077  16.077
  314   2HH1  ARG   7          2HH1      ARG   7 -11.277  15.222  15.222
  315   1HH2  ARG   7          1HH2      ARG   7 -12.907  13.094  13.094
  316   2HH2  ARG   7          2HH2      ARG   7 -12.672  13.547  13.547
  317    H    ARG   8           H        ARG   8  -6.595  17.299  17.299
  318    HA   ARG   8           HA       ARG   8  -7.670  15.345  15.345
  319   1HB   ARG   8          2HB       ARG   8  -7.354  17.783  17.783
  320   2HB   ARG   8          1HB       ARG   8  -5.639  17.441  17.441
  321   1HG   ARG   8          2HG       ARG   8  -6.149  15.846  15.846
  322   2HG   ARG   8          1HG       ARG   8  -7.880  16.015  16.015
  323   1HD   ARG   8          2HD       ARG   8  -7.520  18.527  18.527
  324   2HD   ARG   8          1HD       ARG   8  -5.974  18.041  18.041
  325    HE   ARG   8           HE       ARG   8  -7.906  16.410  16.410
  326   1HH1  ARG   8          1HH1      ARG   8  -7.169  19.829  19.829
  327   2HH1  ARG   8          2HH1      ARG   8  -7.856  20.168  20.168
  328   1HH2  ARG   8          1HH2      ARG   8  -8.792  16.899  16.899
  329   2HH2  ARG   8          2HH2      ARG   8  -8.768  18.526  18.526
  330    H    LYS   9           H        LYS   9  -4.269  16.182  16.182
  331    HA   LYS   9           HA       LYS   9  -3.225  14.067  14.067
  332   1HB   LYS   9          2HB       LYS   9  -2.079  16.030  16.030
  333   2HB   LYS   9          1HB       LYS   9  -1.118  14.619  14.619
  334   1HG   LYS   9          2HG       LYS   9  -0.965  15.250  15.250
  335   2HG   LYS   9          1HG       LYS   9  -2.443  16.211  16.211
  336   1HD   LYS   9          2HD       LYS   9  -1.247  17.828  17.828
  337   2HD   LYS   9          1HD       LYS   9   0.236  16.916  16.916
  338   1HE   LYS   9          2HE       LYS   9   0.440  17.642  17.642
  339   2HE   LYS   9          1HE       LYS   9  -1.304  17.750  17.750
  340   1HZ   LYS   9          3HZ       LYS   9  -1.191  19.672  19.672
  341   2HZ   LYS   9          2HZ       LYS   9   0.487  19.662  19.662
  342   3HZ   LYS   9          1HZ       LYS   9  -0.578  19.949  19.949
  343    H    ASN  10           H        ASN  10  -3.702  14.519  14.519
  344    HA   ASN  10           HA       ASN  10  -2.547  12.092  12.092
  345   1HB   ASN  10          2HB       ASN  10  -4.518  14.006  14.006
  346   2HB   ASN  10          1HB       ASN  10  -4.296  12.431  12.431
  347   1HD2  ASN  10          2HD2      ASN  10  -1.401  15.257  15.257
  348   2HD2  ASN  10          1HD2      ASN  10  -2.808  15.550  15.550
  349    H    ASP  11           H        ASP  11  -5.835  12.904  12.904
  350    HA   ASP  11           HA       ASP  11  -7.063  10.453  10.453
  351   1HB   ASP  11          2HB       ASP  11  -8.277  12.547  12.547
  352   2HB   ASP  11          1HB       ASP  11  -7.785  12.238  12.238
  353    H    THR  12           H        THR  12  -5.330  11.521  11.521
  354    HA   THR  12           HA       THR  12  -5.879   9.270   9.270
  355    HB   THR  12           HB       THR  12  -3.256  10.714  10.714
  356    HG1  THR  12           HG1      THR  12  -5.782  11.739  11.739
  357   1HG2  THR  12          3HG2      THR  12  -4.270   8.832   8.832
  358   2HG2  THR  12          2HG2      THR  12  -5.166  10.189  10.189
  359   3HG2  THR  12          1HG2      THR  12  -3.403  10.201  10.201
  360    H    HIS  13           H        HIS  13  -3.407   9.937   9.937
  361    HA   HIS  13           HA       HIS  13  -1.956   7.489   7.489
  362   1HB   HIS  13          2HB       HIS  13  -1.803   9.418   9.418
  363   2HB   HIS  13          1HB       HIS  13  -0.667   8.109   8.109
  364    HD1  HIS  13           HD1      HIS  13   0.255   8.280   8.280
  365    HD2  HIS  13           HD2      HIS  13  -0.863  11.780  11.780
  366    HE1  HIS  13           HE1      HIS  13   1.354  10.188  10.188
  367    H    GLN  14           H        GLN  14  -4.260   8.685   8.685
  368    HA   GLN  14           HA       GLN  14  -4.219   6.461   6.461
  369   1HB   GLN  14          2HB       GLN  14  -5.405   8.839   8.839
  370   2HB   GLN  14          1HB       GLN  14  -6.782   7.921   7.921
  371   1HG   GLN  14          2HG       GLN  14  -6.959   6.646   6.646
  372   2HG   GLN  14          1HG       GLN  14  -5.223   6.685   6.685
  373   1HE2  GLN  14          2HE2      GLN  14  -5.490   9.367   9.367
  374   2HE2  GLN  14          1HE2      GLN  14  -4.562   8.083   8.083
  375    H    GLN  15           H        GLN  15  -6.207   7.199   7.199
  376    HA   GLN  15           HA       GLN  15  -7.892   4.940   4.940
  377   1HB   GLN  15          2HB       GLN  15  -8.166   7.000   7.000
  378   2HB   GLN  15          1HB       GLN  15  -6.999   6.240   6.240
  379   1HG   GLN  15          2HG       GLN  15  -8.957   5.391   5.391
  380   2HG   GLN  15          1HG       GLN  15  -8.608   4.143   4.143
  381   1HE2  GLN  15          2HE2      GLN  15 -12.053   6.073   6.073
  382   2HE2  GLN  15          1HE2      GLN  15 -11.123   5.968   5.968
  383    H    ASP  16           H        ASP  16  -4.957   5.493   5.493
  384    HA   ASP  16           HA       ASP  16  -4.794   2.898   2.898
  385   1HB   ASP  16          2HB       ASP  16  -3.432   5.132   5.132
  386   2HB   ASP  16          1HB       ASP  16  -2.277   4.377   4.377
  387    H    ILE  17           H        ILE  17  -3.461   4.304   4.304
  388    HA   ILE  17           HA       ILE  17  -1.909   2.082   2.082
  389    HB   ILE  17           HB       ILE  17  -3.121   4.442   4.442
  390   1HG1  ILE  17          2HG1      ILE  17  -1.074   4.744   4.744
  391   2HG1  ILE  17          1HG1      ILE  17  -0.754   5.001   5.001
  392   1HG2  ILE  17          1HG2      ILE  17  -1.989   1.970   1.970
  393   2HG2  ILE  17          3HG2      ILE  17  -1.616   3.536   3.536
  394   3HG2  ILE  17          2HG2      ILE  17  -3.294   3.018   3.018
  395   1HD1  ILE  17          2HD1      ILE  17  -0.076   2.495   2.495
  396   2HD1  ILE  17          1HD1      ILE  17   0.002   2.638   2.638
  397   3HD1  ILE  17          3HD1      ILE  17   1.041   3.638   3.638
  398    H    ASP  18           H        ASP  18  -4.849   3.175   3.175
  399    HA   ASP  18           HA       ASP  18  -5.449   0.932   0.932
  400   1HB   ASP  18          2HB       ASP  18  -7.062   3.168   3.168
  401   2HB   ASP  18          1HB       ASP  18  -7.967   1.745   1.745
  402    H    ASP  19           H        ASP  19  -5.977   1.440   1.440
  403    HA   ASP  19           HA       ASP  19  -7.742  -0.796  -0.796
  404   1HB   ASP  19          2HB       ASP  19  -7.591   1.155   1.155
  405   2HB   ASP  19          1HB       ASP  19  -6.007   0.564   0.564
  406    H    LEU  20           H        LEU  20  -4.268  -0.244  -0.244
  407    HA   LEU  20           HA       LEU  20  -3.596  -2.758  -2.758
  408   1HB   LEU  20          2HB       LEU  20  -2.027  -0.727  -0.727
  409   2HB   LEU  20          1HB       LEU  20  -1.305  -2.239  -2.239
  410    HG   LEU  20           HG       LEU  20  -2.773  -0.417  -0.417
  411   1HD1  LEU  20          2HD1      LEU  20  -0.880   0.781   0.781
  412   2HD1  LEU  20          1HD1      LEU  20   0.213  -0.400  -0.400
  413   3HD1  LEU  20          3HD1      LEU  20  -0.713   0.686   0.686
  414   1HD2  LEU  20          3HD2      LEU  20  -0.632  -2.545  -2.545
  415   2HD2  LEU  20          2HD2      LEU  20  -2.333  -2.708  -2.708
  416   3HD2  LEU  20          1HD2      LEU  20  -1.299  -1.587  -1.587
  417    H    LYS  21           H        LYS  21  -3.834  -1.584  -1.584
  418    HA   LYS  21           HA       LYS  21  -2.838  -3.897  -3.897
  419   1HB   LYS  21          2HB       LYS  21  -4.577  -1.610  -1.610
  420   2HB   LYS  21          1HB       LYS  21  -4.392  -3.003  -3.003
  421   1HG   LYS  21          2HG       LYS  21  -1.869  -1.985  -1.985
  422   2HG   LYS  21          1HG       LYS  21  -2.672  -0.880  -0.880
  423   1HD   LYS  21          2HD       LYS  21  -1.591  -2.080  -2.080
  424   2HD   LYS  21          1HD       LYS  21  -2.901  -3.236  -3.236
  425   1HE   LYS  21          2HE       LYS  21  -1.318  -4.092  -4.092
  426   2HE   LYS  21          1HE       LYS  21  -0.069  -3.351  -3.351
  427   1HZ   LYS  21          1HZ       LYS  21  -0.966  -4.643  -4.643
  428   2HZ   LYS  21          3HZ       LYS  21  -2.003  -5.448  -5.448
  429   3HZ   LYS  21          2HZ       LYS  21  -0.320  -5.612  -5.612
  430    H    ARG  22           H        ARG  22  -6.101  -2.938  -2.938
  431    HA   ARG  22           HA       ARG  22  -7.502  -5.082  -5.082
  432   1HB   ARG  22          2HB       ARG  22  -8.065  -3.237  -3.237
  433   2HB   ARG  22          1HB       ARG  22  -9.139  -4.592  -4.592
  434   1HG   ARG  22          2HG       ARG  22  -8.909  -3.621  -3.621
  435   2HG   ARG  22          1HG       ARG  22  -8.651  -2.128  -2.128
  436   1HD   ARG  22          2HD       ARG  22 -10.763  -3.060  -3.060
  437   2HD   ARG  22          1HD       ARG  22 -11.085  -3.839  -3.839
  438    HE   ARG  22           HE       ARG  22 -11.392  -1.057  -1.057
  439   1HH1  ARG  22          1HH1      ARG  22 -10.485  -3.290  -3.290
  440   2HH1  ARG  22          2HH1      ARG  22 -10.944  -2.209  -2.209
  441   1HH2  ARG  22          1HH2      ARG  22 -11.978   0.322   0.322
  442   2HH2  ARG  22          2HH2      ARG  22 -11.783  -0.182  -0.182
  443    H    GLN  23           H        GLN  23  -5.788  -4.760  -4.760
  444    HA   GLN  23           HA       GLN  23  -6.703  -7.285  -7.285
  445   1HB   GLN  23          2HB       GLN  23  -4.739  -5.199  -5.199
  446   2HB   GLN  23          1HB       GLN  23  -4.610  -6.812  -6.812
  447   1HG   GLN  23          2HG       GLN  23  -7.274  -5.419  -5.419
  448   2HG   GLN  23          1HG       GLN  23  -6.131  -5.053  -5.053
  449   1HE2  GLN  23          2HE2      GLN  23  -6.224  -8.553  -8.553
  450   2HE2  GLN  23          1HE2      GLN  23  -5.040  -7.418  -7.418
  451    H    ASN  24           H        ASN  24  -3.622  -6.072  -6.072
  452    HA   ASN  24           HA       ASN  24  -2.218  -8.511  -8.511
  453   1HB   ASN  24          2HB       ASN  24  -1.851  -6.226  -6.226
  454   2HB   ASN  24          1HB       ASN  24  -0.678  -7.501  -7.501
  455   1HD2  ASN  24          2HD2      ASN  24   0.617  -5.109  -5.109
  456   2HD2  ASN  24          1HD2      ASN  24   0.817  -5.759  -5.759
  457    H    ALA  25           H        ALA  25  -4.302  -7.110  -7.110
  458    HA   ALA  25           HA       ALA  25  -3.773  -8.954  -8.954
  459   1HB   ALA  25          1HB       ALA  25  -6.070  -7.142  -7.142
  460   2HB   ALA  25          3HB       ALA  25  -6.243  -8.333  -8.333
  461   3HB   ALA  25          2HB       ALA  25  -4.978  -7.109  -7.109
  462    H    LEU  26           H        LEU  26  -6.395  -8.904  -8.904
  463    HA   LEU  26           HA       LEU  26  -7.441 -11.453 -11.453
  464   1HB   LEU  26          2HB       LEU  26  -7.809  -9.724  -9.724
  465   2HB   LEU  26          1HB       LEU  26  -8.608 -11.287 -11.287
  466    HG   LEU  26           HG       LEU  26  -8.791  -9.137  -9.137
  467   1HD1  LEU  26          3HD1      LEU  26 -10.470  -9.571  -9.571
  468   2HD1  LEU  26          2HD1      LEU  26 -11.112  -8.763  -8.763
  469   3HD1  LEU  26          1HD1      LEU  26  -9.736  -8.072  -8.072
  470   1HD2  LEU  26          2HD2      LEU  26 -10.080 -11.774 -11.774
  471   2HD2  LEU  26          1HD2      LEU  26  -9.554 -11.106 -11.106
  472   3HD2  LEU  26          3HD2      LEU  26 -11.047 -10.536 -10.536
  473    H    LEU  27           H        LEU  27  -5.001 -10.367 -10.367
  474    HA   LEU  27           HA       LEU  27  -4.807 -12.670 -12.670
  475   1HB   LEU  27          2HB       LEU  27  -2.970 -10.419 -10.419
  476   2HB   LEU  27          1HB       LEU  27  -2.286 -11.845 -11.845
  477    HG   LEU  27           HG       LEU  27  -4.782 -10.566 -10.566
  478   1HD1  LEU  27          2HD1      LEU  27  -1.914  -9.751  -9.751
  479   2HD1  LEU  27          1HD1      LEU  27  -3.310  -9.242  -9.242
  480   3HD1  LEU  27          3HD1      LEU  27  -3.161  -8.742  -8.742
  481   1HD2  LEU  27          2HD2      LEU  27  -3.952 -12.822 -12.822
  482   2HD2  LEU  27          1HD2      LEU  27  -4.043 -11.619 -11.619
  483   3HD2  LEU  27          3HD2      LEU  27  -2.484 -12.027 -12.027
  484    H    GLU  28           H        GLU  28  -2.608 -11.719 -11.719
  485    HA   GLU  28           HA       GLU  28  -1.274 -14.154 -14.154
  486   1HB   GLU  28          2HB       GLU  28  -0.656 -13.368 -13.368
  487   2HB   GLU  28          1HB       GLU  28  -0.460 -12.110 -12.110
  488   1HG   GLU  28          2HG       GLU  28  -2.912 -11.459 -11.459
  489   2HG   GLU  28          1HG       GLU  28  -2.559 -12.366 -12.366
  490    H    GLN  29           H        GLN  29  -4.345 -13.102 -13.102
  491    HA   GLN  29           HA       GLN  29  -4.709 -15.068 -15.068
  492   1HB   GLN  29          2HB       GLN  29  -6.158 -12.962 -12.962
  493   2HB   GLN  29          1HB       GLN  29  -7.029 -14.129 -14.129
  494   1HG   GLN  29          2HG       GLN  29  -8.160 -14.183 -14.183
  495   2HG   GLN  29          1HG       GLN  29  -7.111 -15.601 -15.601
  496   1HE2  GLN  29          2HE2      GLN  29  -6.729 -13.470 -13.470
  497   2HE2  GLN  29          1HE2      GLN  29  -8.115 -14.026 -14.026
  498    H    GLN  30           H        GLN  30  -5.131 -15.139 -15.139
  499    HA   GLN  30           HA       GLN  30  -6.397 -17.764 -17.764
  500   1HB   GLN  30          2HB       GLN  30  -5.578 -15.874 -15.874
  501   2HB   GLN  30          1HB       GLN  30  -6.103 -17.523 -17.523
  502   1HG   GLN  30          2HG       GLN  30  -7.795 -15.844 -15.844
  503   2HG   GLN  30          1HG       GLN  30  -7.856 -15.527 -15.527
  504   1HE2  GLN  30          2HE2      GLN  30  -9.585 -18.525 -18.525
  505   2HE2  GLN  30          1HE2      GLN  30  -8.755 -17.185 -17.185
  506    H    VAL  31           H        VAL  31  -3.262 -16.321 -16.321
  507    HA   VAL  31           HA       VAL  31  -2.000 -18.547 -18.547
  508    HB   VAL  31           HB       VAL  31  -0.704 -16.459 -16.459
  509   1HG1  VAL  31          2HG1      VAL  31   0.251 -18.567 -18.567
  510   2HG1  VAL  31          1HG1      VAL  31   1.090 -17.016 -17.016
  511   3HG1  VAL  31          3HG1      VAL  31   1.010 -17.934 -17.934
  512   1HG2  VAL  31          2HG2      VAL  31  -1.864 -16.339 -16.339
  513   2HG2  VAL  31          1HG2      VAL  31  -1.586 -15.043 -15.043
  514   3HG2  VAL  31          3HG2      VAL  31  -0.253 -15.640 -15.640
  515    H    ARG  32           H        ARG  32  -2.590 -17.658 -17.658
  516    HA   ARG  32           HA       ARG  32  -0.866 -19.499 -19.499
  517   1HB   ARG  32          2HB       ARG  32  -2.419 -17.554 -17.554
  518   2HB   ARG  32          1HB       ARG  32  -3.506 -18.910 -18.910
  519   1HG   ARG  32          2HG       ARG  32  -2.297 -19.052 -19.052
  520   2HG   ARG  32          1HG       ARG  32  -1.210 -19.986 -19.986
  521   1HD   ARG  32          2HD       ARG  32  -0.238 -17.580 -17.580
  522   2HD   ARG  32          1HD       ARG  32  -0.930 -17.182 -17.182
  523    HE   ARG  32           HE       ARG  32   0.684 -19.575 -19.575
  524   1HH1  ARG  32          1HH1      ARG  32   0.738 -16.079 -16.079
  525   2HH1  ARG  32          2HH1      ARG  32   2.224 -16.033 -16.033
  526   1HH2  ARG  32          1HH2      ARG  32   2.619 -19.469 -19.469
  527   2HH2  ARG  32          2HH2      ARG  32   3.281 -17.934 -17.934
  528    H    ALA  33           H        ALA  33  -4.089 -19.835 -19.835
  529    HA   ALA  33           HA       ALA  33  -4.636 -22.412 -22.412
  530   1HB   ALA  33          3HB       ALA  33  -6.290 -20.704 -20.704
  531   2HB   ALA  33          2HB       ALA  33  -5.819 -21.431 -21.431
  532   3HB   ALA  33          1HB       ALA  33  -6.563 -22.423 -22.423
  533    H    LEU  34           H        LEU  34  -3.465 -21.303 -21.303
  534    HA   LEU  34           HA       LEU  34  -2.969 -24.051 -24.051
  535   1HB   LEU  34          2HB       LEU  34  -2.919 -21.370 -21.370
  536   2HB   LEU  34          1HB       LEU  34  -1.926 -22.651 -22.651
  537    HG   LEU  34           HG       LEU  34  -4.829 -23.106 -23.106
  538   1HD1  LEU  34          2HD1      LEU  34  -3.657 -22.069 -22.069
  539   2HD1  LEU  34          1HD1      LEU  34  -5.310 -22.653 -22.653
  540   3HD1  LEU  34          3HD1      LEU  34  -4.778 -21.211 -21.211
  541   1HD2  LEU  34          1HD2      LEU  34  -2.734 -24.451 -24.451
  542   2HD2  LEU  34          3HD2      LEU  34  -3.683 -25.144 -25.144
  543   3HD2  LEU  34          2HD2      LEU  34  -4.453 -24.774 -24.774
  544   1HN   NH2  35          1HT       LEU  34  -0.616 -24.013 -24.013
  545   2HN   NH2  35          2HT       LEU  34   0.683 -23.642 -23.642

  Start of MODEL    2
    1   1H    ACE   2          1HA       ACE   2  -2.830  25.628  25.628
    2   2H    ACE   2          2HA       ACE   2  -2.914  26.907  26.907
    3   3H    ACE   2          3HA       ACE   2  -2.279  27.256  27.256
    4    H    CYS   3           H        CYS   3  -1.532  24.283  24.283
    5    HA   CYS   3           HA       CYS   3   0.441  23.393  23.393
    6   1HB   CYS   3          2HB       CYS   3   0.944  26.294  26.294
    7   2HB   CYS   3          1HB       CYS   3   1.979  24.960  24.960
    8    H    GLY   4           H        GLY   4   1.236  22.676  22.676
    9   1HA   GLY   4          2HA       GLY   4   3.179  24.468  24.468
   10   2HA   GLY   4          1HA       GLY   4   2.262  23.219  23.219
   11    H    GLY   5           H        GLY   5   2.513  21.136  21.136
   12   1HA   GLY   5          2HA       GLY   5   5.196  20.653  20.653
   13   2HA   GLY   5          1HA       GLY   5   4.898  19.912  19.912
   14    H    VAL   6           H        VAL   6   2.734  20.316  20.316
   15    HA   VAL   6           HA       VAL   6   1.646  17.715  17.715
   16    HB   VAL   6           HB       VAL   6   0.473  19.578  19.578
   17   1HG1  VAL   6          3HG1      VAL   6   2.711  20.336  20.336
   18   2HG1  VAL   6          2HG1      VAL   6   2.255  19.204  19.204
   19   3HG1  VAL   6          1HG1      VAL   6   1.197  20.558  20.558
   20   1HG2  VAL   6          3HG2      VAL   6   0.353  16.970  16.970
   21   2HG2  VAL   6          2HG2      VAL   6  -0.634  18.192  18.192
   22   3HG2  VAL   6          1HG2      VAL   6   0.856  17.628  17.628
   23    H    GLN   7           H        GLN   7   4.374  19.028  19.028
   24    HA   GLN   7           HA       GLN   7   4.810  16.890  16.890
   25   1HB   GLN   7          2HB       GLN   7   6.856  18.733  18.733
   26   2HB   GLN   7          1HB       GLN   7   7.106  17.739  17.739
   27   1HG   GLN   7          2HG       GLN   7   4.925  18.999  18.999
   28   2HG   GLN   7          1HG       GLN   7   5.449  20.210  20.210
   29   1HE2  GLN   7          2HE2      GLN   7   7.485  19.766  19.766
   30   2HE2  GLN   7          1HE2      GLN   7   6.140  18.796  18.796
   31    H    ALA   8           H        ALA   8   5.660  17.375  17.375
   32    HA   ALA   8           HA       ALA   8   7.488  15.181  15.181
   33   1HB   ALA   8          2HB       ALA   8   6.052  16.932  16.932
   34   2HB   ALA   8          1HB       ALA   8   6.787  15.434  15.434
   35   3HB   ALA   8          3HB       ALA   8   7.783  16.663  16.663
   36    H    GLU   9           H        GLU   9   4.108  15.608  15.608
   37    HA   GLU   9           HA       GLU   9   3.718  12.934  12.934
   38   1HB   GLU   9          2HB       GLU   9   1.646  14.892  14.892
   39   2HB   GLU   9          1HB       GLU   9   1.331  13.448  13.448
   40   1HG   GLU   9          2HG       GLU   9   2.905  14.448  14.448
   41   2HG   GLU   9          1HG       GLU   9   2.797  15.954  15.954
   42    H    GLU  10           H        GLU  10   3.334  14.554  14.554
   43    HA   GLU  10           HA       GLU  10   2.011  12.400  12.400
   44   1HB   GLU  10          2HB       GLU  10   2.175  14.878  14.878
   45   2HB   GLU  10          1HB       GLU  10   3.741  14.425  14.425
   46   1HG   GLU  10          2HG       GLU  10   2.364  12.433  12.433
   47   2HG   GLU  10          1HG       GLU  10   0.999  13.520  13.520
   48    H    GLN  11           H        GLN  11   5.361  13.260  13.260
   49    HA   GLN  11           HA       GLN  11   6.585  11.568  11.568
   50   1HB   GLN  11          2HB       GLN  11   7.625  13.394  13.394
   51   2HB   GLN  11          1HB       GLN  11   7.810  12.064  12.064
   52   1HG   GLN  11          2HG       GLN  11   8.844  10.794  10.794
   53   2HG   GLN  11          1HG       GLN  11   9.067  12.413  12.413
   54   1HE2  GLN  11          2HE2      GLN  11  12.101  12.575  12.575
   55   2HE2  GLN  11          1HE2      GLN  11  11.337  12.635  12.635
   56    H    LYS  12           H        LYS  12   5.928  11.025  11.025
   57    HA   LYS  12           HA       LYS  12   6.808   8.348   8.348
   58   1HB   LYS  12          2HB       LYS  12   5.436   8.166   8.166
   59   2HB   LYS  12          1HB       LYS  12   6.472   9.594   9.594
   60   1HG   LYS  12          2HG       LYS  12   4.615  11.014  11.014
   61   2HG   LYS  12          1HG       LYS  12   3.564   9.615   9.615
   62   1HD   LYS  12          2HD       LYS  12   4.216   9.118   9.118
   63   2HD   LYS  12          1HD       LYS  12   4.572  10.844  10.844
   64   1HE   LYS  12          2HE       LYS  12   2.245  11.172  11.172
   65   2HE   LYS  12          1HE       LYS  12   1.938   9.494   9.494
   66   1HZ   LYS  12          1HZ       LYS  12   2.761  10.233  10.233
   67   2HZ   LYS  12          3HZ       LYS  12   2.467  11.810  11.810
   68   3HZ   LYS  12          2HZ       LYS  12   1.194  10.687  10.687
   69    H    LEU  13           H        LEU  13   3.764   9.801   9.801
   70    HA   LEU  13           HA       LEU  13   2.183   7.441   7.441
   71   1HB   LEU  13          2HB       LEU  13   1.951  10.123  10.123
   72   2HB   LEU  13          1HB       LEU  13   0.872   8.821   8.821
   73    HG   LEU  13           HG       LEU  13   1.266   9.504   9.504
   74   1HD1  LEU  13          1HD1      LEU  13  -0.765  10.673  10.673
   75   2HD1  LEU  13          3HD1      LEU  13  -0.795  10.877  10.877
   76   3HD1  LEU  13          2HD1      LEU  13   0.528  11.560  11.560
   77   1HD2  LEU  13          2HD2      LEU  13  -0.591   7.854   7.854
   78   2HD2  LEU  13          1HD2      LEU  13   0.117   7.498   7.498
   79   3HD2  LEU  13          3HD2      LEU  13  -1.243   8.613   8.613
   80    H    ILE  14           H        ILE  14   4.272   8.936   8.936
   81    HA   ILE  14           HA       ILE  14   3.546   7.091   7.091
   82    HB   ILE  14           HB       ILE  14   5.924   8.960   8.960
   83   1HG1  ILE  14          2HG1      ILE  14   3.450   9.476   9.476
   84   2HG1  ILE  14          1HG1      ILE  14   3.436   9.840   9.840
   85   1HG2  ILE  14          3HG2      ILE  14   4.677   7.388   7.388
   86   2HG2  ILE  14          2HG2      ILE  14   5.736   8.770   8.770
   87   3HG2  ILE  14          1HG2      ILE  14   6.350   7.344   7.344
   88   1HD1  ILE  14          3HD1      ILE  14   5.790  10.968  10.968
   89   2HD1  ILE  14          2HD1      ILE  14   4.974  11.134  11.134
   90   3HD1  ILE  14          1HD1      ILE  14   4.266  11.848  11.848
   91    H    SER  15           H        SER  15   6.438   7.592   7.592
   92    HA   SER  15           HA       SER  15   7.922   5.412   5.412
   93   1HB   SER  15          2HB       SER  15   8.789   7.256   7.256
   94   2HB   SER  15          1HB       SER  15   7.973   6.476   6.476
   95    HG   SER  15           HG       SER  15   9.596   5.160   5.160
   96    H    GLU  16           H        GLU  16   5.487   5.624   5.624
   97    HA   GLU  16           HA       GLU  16   5.845   2.948   2.948
   98   1HB   GLU  16          2HB       GLU  16   4.739   4.851   4.851
   99   2HB   GLU  16          1HB       GLU  16   3.331   4.606   4.606
  100   1HG   GLU  16          2HG       GLU  16   2.742   3.161   3.161
  101   2HG   GLU  16          1HG       GLU  16   3.754   2.055   2.055
  102    H    GLU  17           H        GLU  17   3.768   4.496   4.496
  103    HA   GLU  17           HA       GLU  17   2.107   2.235   2.235
  104   1HB   GLU  17          2HB       GLU  17   1.635   4.659   4.659
  105   2HB   GLU  17          1HB       GLU  17   2.754   4.413   4.413
  106   1HG   GLU  17          2HG       GLU  17   1.356   2.363   2.363
  107   2HG   GLU  17          1HG       GLU  17   0.157   2.960   2.960
  108    H    ASP  18           H        ASP  18   5.159   3.389   3.389
  109    HA   ASP  18           HA       ASP  18   5.320   1.655   1.655
  110   1HB   ASP  18          2HB       ASP  18   6.806   3.659   3.659
  111   2HB   ASP  18          1HB       ASP  18   7.673   2.637   2.637
  112    H    LEU  19           H        LEU  19   6.273   1.294   1.294
  113    HA   LEU  19           HA       LEU  19   7.650  -1.161  -1.161
  114   1HB   LEU  19          2HB       LEU  19   7.288   0.542   0.542
  115   2HB   LEU  19          1HB       LEU  19   6.076  -0.666  -0.666
  116    HG   LEU  19           HG       LEU  19   7.998  -2.379  -2.379
  117   1HD1  LEU  19          3HD1      LEU  19   9.495  -0.552  -0.552
  118   2HD1  LEU  19          2HD1      LEU  19   9.609   0.075   0.075
  119   3HD1  LEU  19          1HD1      LEU  19  10.227  -1.534  -1.534
  120   1HD2  LEU  19          2HD2      LEU  19   7.744  -0.603  -0.603
  121   2HD2  LEU  19          1HD2      LEU  19   7.131  -2.242  -2.242
  122   3HD2  LEU  19          3HD2      LEU  19   8.862  -1.967  -1.967
  123    H    LEU  20           H        LEU  20   4.247  -0.390  -0.390
  124    HA   LEU  20           HA       LEU  20   3.387  -3.080  -3.080
  125   1HB   LEU  20          2HB       LEU  20   2.060  -0.454  -0.454
  126   2HB   LEU  20          1HB       LEU  20   1.125  -1.909  -1.909
  127    HG   LEU  20           HG       LEU  20   2.657  -1.693  -1.693
  128   1HD1  LEU  20          1HD1      LEU  20  -0.117  -0.583  -0.583
  129   2HD1  LEU  20          3HD1      LEU  20   0.638  -0.725  -0.725
  130   3HD1  LEU  20          2HD1      LEU  20   1.318   0.371   0.371
  131   1HD2  LEU  20          2HD2      LEU  20   0.177  -3.141  -3.141
  132   2HD2  LEU  20          1HD2      LEU  20   1.715  -3.853  -3.853
  133   3HD2  LEU  20          3HD2      LEU  20   0.667  -3.107  -3.107
  134    H    ARG  21           H        ARG  21   3.845  -1.012  -1.012
  135    HA   ARG  21           HA       ARG  21   2.375  -2.481  -2.481
  136   1HB   ARG  21          2HB       ARG  21   4.619  -0.521  -0.521
  137   2HB   ARG  21          1HB       ARG  21   4.305  -1.487  -1.487
  138   1HG   ARG  21          2HG       ARG  21   2.274  -0.497  -0.497
  139   2HG   ARG  21          1HG       ARG  21   1.928  -0.294  -0.294
  140   1HD   ARG  21          2HD       ARG  21   2.336   1.870   1.870
  141   2HD   ARG  21          1HD       ARG  21   3.434   1.593   1.593
  142    HE   ARG  21           HE       ARG  21   4.482   0.663   0.663
  143   1HH1  ARG  21          1HH1      ARG  21   4.099   3.441   3.441
  144   2HH1  ARG  21          2HH1      ARG  21   5.466   4.271   4.271
  145   1HH2  ARG  21          1HH2      ARG  21   6.257   1.778   1.778
  146   2HH2  ARG  21          2HH2      ARG  21   6.678   3.338   3.338
  147    H    LYS  22           H        LYS  22   5.697  -2.792  -2.792
  148    HA   LYS  22           HA       LYS  22   6.476  -4.819  -4.819
  149   1HB   LYS  22          2HB       LYS  22   7.592  -4.070  -4.070
  150   2HB   LYS  22          1HB       LYS  22   8.348  -5.217  -5.217
  151   1HG   LYS  22          2HG       LYS  22   8.162  -3.280  -3.280
  152   2HG   LYS  22          1HG       LYS  22   7.980  -2.249  -2.249
  153   1HD   LYS  22          2HD       LYS  22  10.104  -2.978  -2.978
  154   2HD   LYS  22          1HD       LYS  22  10.260  -4.209  -4.209
  155   1HE   LYS  22          2HE       LYS  22  10.117  -2.253  -2.253
  156   2HE   LYS  22          1HE       LYS  22  10.432  -1.210  -1.210
  157   1HZ   LYS  22          3HZ       LYS  22  12.438  -2.513  -2.513
  158   2HZ   LYS  22          2HZ       LYS  22  12.142  -3.449  -3.449
  159   3HZ   LYS  22          1HZ       LYS  22  12.486  -1.791  -1.791
  160    H    ARG  23           H        ARG  23   4.958  -4.818  -4.818
  161    HA   ARG  23           HA       ARG  23   5.238  -7.618  -7.618
  162   1HB   ARG  23          2HB       ARG  23   4.639  -5.666  -5.666
  163   2HB   ARG  23          1HB       ARG  23   2.983  -6.000  -6.000
  164   1HG   ARG  23          2HG       ARG  23   3.083  -8.246  -8.246
  165   2HG   ARG  23          1HG       ARG  23   4.839  -8.191  -8.191
  166   1HD   ARG  23          2HD       ARG  23   4.666  -6.596  -6.596
  167   2HD   ARG  23          1HD       ARG  23   2.924  -6.486  -6.486
  168    HE   ARG  23           HE       ARG  23   3.351  -9.148  -9.148
  169   1HH1  ARG  23          1HH1      ARG  23   4.238  -6.208  -6.208
  170   2HH1  ARG  23          2HH1      ARG  23   4.223  -6.958  -6.958
  171   1HH2  ARG  23          1HH2      ARG  23   3.344 -10.087 -10.087
  172   2HH2  ARG  23          2HH2      ARG  23   3.722  -9.137  -9.137
  173    H    ARG  24           H        ARG  24   2.765  -5.597  -5.597
  174    HA   ARG  24           HA       ARG  24   0.786  -7.619  -7.619
  175   1HB   ARG  24          2HB       ARG  24   0.433  -5.113  -5.113
  176   2HB   ARG  24          1HB       ARG  24   1.151  -5.256  -5.256
  177   1HG   ARG  24          2HG       ARG  24  -0.633  -6.457  -6.457
  178   2HG   ARG  24          1HG       ARG  24  -1.043  -7.154  -7.154
  179   1HD   ARG  24          2HD       ARG  24  -2.276  -5.321  -5.321
  180   2HD   ARG  24          1HD       ARG  24  -1.311  -4.200  -4.200
  181    HE   ARG  24           HE       ARG  24  -3.685  -5.580  -5.580
  182   1HH1  ARG  24          1HH1      ARG  24  -0.650  -4.213  -4.213
  183   2HH1  ARG  24          2HH1      ARG  24  -1.214  -3.944  -3.944
  184   1HH2  ARG  24          1HH2      ARG  24  -4.381  -5.212  -5.212
  185   2HH2  ARG  24          2HH2      ARG  24  -3.308  -4.504  -4.504
  186    H    GLU  25           H        GLU  25   3.337  -6.428  -6.428
  187    HA   GLU  25           HA       GLU  25   2.687  -8.049  -8.049
  188   1HB   GLU  25          2HB       GLU  25   4.379  -6.031  -6.031
  189   2HB   GLU  25          1HB       GLU  25   5.533  -7.332  -7.332
  190   1HG   GLU  25          2HG       GLU  25   4.419  -8.395  -8.395
  191   2HG   GLU  25          1HG       GLU  25   3.972  -6.723  -6.723
  192    H    GLN  26           H        GLN  26   4.851  -8.535  -8.535
  193    HA   GLN  26           HA       GLN  26   5.896 -11.037 -11.037
  194   1HB   GLN  26          2HB       GLN  26   6.921  -9.551  -9.551
  195   2HB   GLN  26          1HB       GLN  26   5.646 -10.091 -10.091
  196   1HG   GLN  26          2HG       GLN  26   6.353 -12.461 -12.461
  197   2HG   GLN  26          1HG       GLN  26   7.718 -11.827 -11.827
  198   1HE2  GLN  26          2HE2      GLN  26   9.639 -11.266 -11.266
  199   2HE2  GLN  26          1HE2      GLN  26   9.587 -11.463 -11.463
  200    H    LEU  27           H        LEU  27   3.187 -10.101 -10.101
  201    HA   LEU  27           HA       LEU  27   2.470 -12.683 -12.683
  202   1HB   LEU  27          2HB       LEU  27   0.950 -10.105 -10.105
  203   2HB   LEU  27          1HB       LEU  27   0.128 -11.583 -11.583
  204    HG   LEU  27           HG       LEU  27   2.594 -10.477 -10.477
  205   1HD1  LEU  27          3HD1      LEU  27  -0.354 -10.123 -10.123
  206   2HD1  LEU  27          2HD1      LEU  27   0.844  -9.983  -9.983
  207   3HD1  LEU  27          1HD1      LEU  27   0.899  -8.886  -8.886
  208   1HD2  LEU  27          3HD2      LEU  27   0.803 -12.843 -12.843
  209   2HD2  LEU  27          2HD2      LEU  27   2.543 -12.707 -12.707
  210   3HD2  LEU  27          1HD2      LEU  27   1.426 -12.058 -12.058
  211    H    LYS  28           H        LYS  28   1.641 -10.851 -10.851
  212    HA   LYS  28           HA       LYS  28  -0.393 -12.548 -12.548
  213   1HB   LYS  28          2HB       LYS  28   0.545 -10.184 -10.184
  214   2HB   LYS  28          1HB       LYS  28   1.439 -11.222 -11.222
  215   1HG   LYS  28          2HG       LYS  28  -0.624 -12.246 -12.246
  216   2HG   LYS  28          1HG       LYS  28  -1.562 -11.357 -11.357
  217   1HD   LYS  28          2HD       LYS  28  -1.864  -9.967  -9.967
  218   2HD   LYS  28          1HD       LYS  28  -0.386  -9.265  -9.265
  219   1HE   LYS  28          2HE       LYS  28   0.973 -10.298 -10.298
  220   2HE   LYS  28          1HE       LYS  28  -0.249 -11.508 -11.508
  221   1HZ   LYS  28          2HZ       LYS  28  -1.631  -9.707  -9.707
  222   2HZ   LYS  28          1HZ       LYS  28  -0.365  -8.609  -8.609
  223   3HZ   LYS  28          3HZ       LYS  28  -0.157  -9.876  -9.876
  224    H    HIS  29           H        HIS  29   3.119 -12.538 -12.538
  225    HA   HIS  29           HA       HIS  29   3.245 -14.642 -14.642
  226   1HB   HIS  29          2HB       HIS  29   5.268 -13.750 -13.750
  227   2HB   HIS  29          1HB       HIS  29   5.608 -14.893 -14.893
  228    HD1  HIS  29           HD1      HIS  29   4.237 -13.611 -13.611
  229    HD2  HIS  29           HD2      HIS  29   6.421 -11.397 -11.397
  230    HE1  HIS  29           HE1      HIS  29   4.915 -11.468 -11.468
  231    H    LYS  30           H        LYS  30   3.104 -14.608 -14.608
  232    HA   LYS  30           HA       LYS  30   3.750 -17.317 -17.317
  233   1HB   LYS  30          2HB       LYS  30   2.365 -15.170 -15.170
  234   2HB   LYS  30          1HB       LYS  30   2.094 -16.832 -16.832
  235   1HG   LYS  30          2HG       LYS  30   4.008 -16.101 -16.101
  236   2HG   LYS  30          1HG       LYS  30   4.639 -17.116 -17.116
  237   1HD   LYS  30          2HD       LYS  30   4.973 -15.023 -15.023
  238   2HD   LYS  30          1HD       LYS  30   4.549 -14.089 -14.089
  239   1HE   LYS  30          2HE       LYS  30   7.012 -14.357 -14.357
  240   2HE   LYS  30          1HE       LYS  30   6.412 -15.080 -15.080
  241   1HZ   LYS  30          2HZ       LYS  30   6.644 -16.691 -16.691
  242   2HZ   LYS  30          1HZ       LYS  30   8.002 -16.430 -16.430
  243   3HZ   LYS  30          3HZ       LYS  30   6.633 -17.206 -17.206
  244    H    LEU  31           H        LEU  31   0.788 -15.717 -15.717
  245    HA   LEU  31           HA       LEU  31  -0.883 -18.038 -18.038
  246   1HB   LEU  31          2HB       LEU  31  -1.260 -15.294 -15.294
  247   2HB   LEU  31          1HB       LEU  31  -2.410 -16.546 -16.546
  248    HG   LEU  31           HG       LEU  31  -2.399 -17.060 -17.060
  249   1HD1  LEU  31          1HD1      LEU  31  -1.606 -14.137 -14.137
  250   2HD1  LEU  31          3HD1      LEU  31  -2.206 -14.925 -14.925
  251   3HD1  LEU  31          2HD1      LEU  31  -0.670 -15.429 -15.429
  252   1HD2  LEU  31          1HD2      LEU  31  -4.203 -16.039 -16.039
  253   2HD2  LEU  31          3HD2      LEU  31  -4.466 -16.010 -16.010
  254   3HD2  LEU  31          2HD2      LEU  31  -3.878 -14.568 -14.568
  255    H    GLU  32           H        GLU  32   0.622 -16.406 -16.406
  256    HA   GLU  32           HA       GLU  32  -0.237 -18.607 -18.607
  257   1HB   GLU  32          2HB       GLU  32   0.605 -17.142 -17.142
  258   2HB   GLU  32          1HB       GLU  32  -0.676 -16.393 -16.393
  259   1HG   GLU  32          2HG       GLU  32   0.729 -14.831 -14.831
  260   2HG   GLU  32          1HG       GLU  32   2.105 -15.933 -15.933
  261    H    GLN  33           H        GLN  33   1.903 -18.854 -18.854
  262    HA   GLN  33           HA       GLN  33   4.421 -18.894 -18.894
  263   1HB   GLN  33          2HB       GLN  33   3.870 -18.826 -18.826
  264   2HB   GLN  33          1HB       GLN  33   3.940 -20.580 -20.580
  265   1HG   GLN  33          2HG       GLN  33   6.163 -19.900 -19.900
  266   2HG   GLN  33          1HG       GLN  33   6.175 -20.233 -20.233
  267   1HE2  GLN  33          2HE2      GLN  33   7.267 -16.986 -16.986
  268   2HE2  GLN  33          1HE2      GLN  33   7.214 -18.628 -18.628
  269    H    LEU  34           H        LEU  34   2.368 -21.507 -21.507
  270    HA   LEU  34           HA       LEU  34   3.441 -23.274 -23.274
  271   1HB   LEU  34          2HB       LEU  34   2.711 -23.821 -23.821
  272   2HB   LEU  34          1HB       LEU  34   2.685 -25.118 -25.118
  273    HG   LEU  34           HG       LEU  34   5.095 -23.371 -23.371
  274   1HD1  LEU  34          2HD1      LEU  34   4.559 -23.834 -23.834
  275   2HD1  LEU  34          1HD1      LEU  34   4.676 -25.557 -25.557
  276   3HD1  LEU  34          3HD1      LEU  34   6.093 -24.519 -24.519
  277   1HD2  LEU  34          1HD2      LEU  34   4.531 -26.333 -26.333
  278   2HD2  LEU  34          3HD2      LEU  34   4.967 -25.184 -25.184
  279   3HD2  LEU  34          2HD2      LEU  34   6.151 -25.637 -25.637
  280   1HN   NH2  35          1HT       LEU  34   1.899 -23.925 -23.925
  281   2HN   NH2  35          2HT       LEU  34   0.226 -23.964 -23.964
  282   1H    ACE   2          1HA       ACE   2  -4.764  26.606  26.606
  283   2H    ACE   2          2HA       ACE   2  -3.967  26.878  26.878
  284   3H    ACE   2          3HA       ACE   2  -4.362  25.238  25.238
  285    H    CYS   3           H        CYS   3  -2.319  24.383  24.383
  286    HA   CYS   3           HA       CYS   3  -0.148  25.762  25.762
  287   1HB   CYS   3          2HB       CYS   3  -0.427  23.219  23.219
  288   2HB   CYS   3          1HB       CYS   3   0.938  23.393  23.393
  289    H    GLY   4           H        GLY   4  -2.275  23.001  23.001
  290   1HA   GLY   4          2HA       GLY   4  -2.851  22.847  22.847
  291   2HA   GLY   4          1HA       GLY   4  -1.111  22.675  22.675
  292    H    GLY   5           H        GLY   5  -4.053  21.113  21.113
  293   1HA   GLY   5          2HA       GLY   5  -4.596  18.898  18.898
  294   2HA   GLY   5          1HA       GLY   5  -3.052  18.511  18.511
  295    H    MET   6           H        MET   6  -3.795  20.263  20.263
  296    HA   MET   6           HA       MET   6  -1.727  18.914  18.914
  297   1HB   MET   6          2HB       MET   6  -2.743  21.270  21.270
  298   2HB   MET   6          1HB       MET   6  -3.990  20.397  20.397
  299   1HG   MET   6          2HG       MET   6  -2.287  19.367  19.367
  300   2HG   MET   6          1HG       MET   6  -1.009  20.160  20.160
  301   1HE   MET   6          2HE       MET   6  -4.063  20.384  20.384
  302   2HE   MET   6          1HE       MET   6  -4.088  21.974  21.974
  303   3HE   MET   6          3HE       MET   6  -4.573  21.790  21.790
  304    H    ARG   7           H        ARG   7  -5.264  18.969  18.969
  305    HA   ARG   7           HA       ARG   7  -5.142  16.551  16.551
  306   1HB   ARG   7          2HB       ARG   7  -7.629  16.822  16.822
  307   2HB   ARG   7          1HB       ARG   7  -6.740  18.235  18.235
  308   1HG   ARG   7          2HG       ARG   7  -7.180  19.451  19.451
  309   2HG   ARG   7          1HG       ARG   7  -7.664  18.000  18.000
  310   1HD   ARG   7          2HD       ARG   7  -9.517  17.827  17.827
  311   2HD   ARG   7          1HD       ARG   7  -9.178  19.538  19.538
  312    HE   ARG   7           HE       ARG   7  -9.556  19.058  19.058
  313   1HH1  ARG   7          1HH1      ARG   7 -11.354  19.138  19.138
  314   2HH1  ARG   7          2HH1      ARG   7 -12.839  19.576  19.576
  315   1HH2  ARG   7          1HH2      ARG   7 -11.514  19.629  19.629
  316   2HH2  ARG   7          2HH2      ARG   7 -12.931  19.852  19.852
  317    H    ARG   8           H        ARG   8  -5.928  17.465  17.465
  318    HA   ARG   8           HA       ARG   8  -7.408  15.190  15.190
  319   1HB   ARG   8          2HB       ARG   8  -7.142  17.300  17.300
  320   2HB   ARG   8          1HB       ARG   8  -5.513  16.761  16.761
  321   1HG   ARG   8          2HG       ARG   8  -6.701  14.547  14.547
  322   2HG   ARG   8          1HG       ARG   8  -8.153  15.546  15.546
  323   1HD   ARG   8          2HD       ARG   8  -5.581  16.007  16.007
  324   2HD   ARG   8          1HD       ARG   8  -7.141  15.545  15.545
  325    HE   ARG   8           HE       ARG   8  -7.620  17.913  17.913
  326   1HH1  ARG   8          1HH1      ARG   8  -5.448  16.866  16.866
  327   2HH1  ARG   8          2HH1      ARG   8  -5.398  18.422  18.422
  328   1HH2  ARG   8          1HH2      ARG   8  -7.526  19.925  19.925
  329   2HH2  ARG   8          2HH2      ARG   8  -6.563  20.140  20.140
  330    H    LYS   9           H        LYS   9  -3.941  15.819  15.819
  331    HA   LYS   9           HA       LYS   9  -3.232  13.287  13.287
  332   1HB   LYS   9          2HB       LYS   9  -1.663  15.493  15.493
  333   2HB   LYS   9          1HB       LYS   9  -0.906  13.964  13.964
  334   1HG   LYS   9          2HG       LYS   9  -2.569  15.419  15.419
  335   2HG   LYS   9          1HG       LYS   9  -0.919  15.959  15.959
  336   1HD   LYS   9          2HD       LYS   9  -0.410  13.352  13.352
  337   2HD   LYS   9          1HD       LYS   9  -1.880  13.397  13.397
  338   1HE   LYS   9          2HE       LYS   9  -0.949  14.976  14.976
  339   2HE   LYS   9          1HE       LYS   9   0.390  15.347  15.347
  340   1HZ   LYS   9          1HZ       LYS   9   1.197  13.085  13.085
  341   2HZ   LYS   9          3HZ       LYS   9  -0.081  12.745  12.745
  342   3HZ   LYS   9          2HZ       LYS   9   1.097  13.890  13.890
  343    H    ASN  10           H        ASN  10  -3.200  14.689  14.689
  344    HA   ASN  10           HA       ASN  10  -2.118  12.420  12.420
  345   1HB   ASN  10          2HB       ASN  10  -3.607  14.864  14.864
  346   2HB   ASN  10          1HB       ASN  10  -3.469  13.520  13.520
  347   1HD2  ASN  10          2HD2      ASN  10   0.166  14.880  14.880
  348   2HD2  ASN  10          1HD2      ASN  10  -1.046  14.498  14.498
  349    H    ASP  11           H        ASP  11  -5.427  13.441  13.441
  350    HA   ASP  11           HA       ASP  11  -6.769  11.450  11.450
  351   1HB   ASP  11          2HB       ASP  11  -7.838  13.490  13.490
  352   2HB   ASP  11          1HB       ASP  11  -7.721  12.701  12.701
  353    H    THR  12           H        THR  12  -5.825  11.565  11.565
  354    HA   THR  12           HA       THR  12  -6.791   8.999   8.999
  355    HB   THR  12           HB       THR  12  -5.324   9.176   9.176
  356    HG1  THR  12           HG1      THR  12  -4.320  11.465  11.465
  357   1HG2  THR  12          3HG2      THR  12  -6.974  11.491  11.491
  358   2HG2  THR  12          2HG2      THR  12  -6.035  11.677  11.677
  359   3HG2  THR  12          1HG2      THR  12  -7.239  10.394  10.394
  360    H    HIS  13           H        HIS  13  -3.791  10.108  10.108
  361    HA   HIS  13           HA       HIS  13  -2.273   7.745   7.745
  362   1HB   HIS  13          2HB       HIS  13  -2.118  10.082  10.082
  363   2HB   HIS  13          1HB       HIS  13  -1.111   8.667   8.667
  364    HD1  HIS  13           HD1      HIS  13  -0.225   7.825   7.825
  365    HD2  HIS  13           HD2      HIS  13  -0.477  11.843  11.843
  366    HE1  HIS  13           HE1      HIS  13   1.300   9.087   9.087
  367    H    GLN  14           H        GLN  14  -4.312   8.877   8.877
  368    HA   GLN  14           HA       GLN  14  -3.883   6.728   6.728
  369   1HB   GLN  14          2HB       GLN  14  -6.258   8.561   8.561
  370   2HB   GLN  14          1HB       GLN  14  -6.149   7.369   7.369
  371   1HG   GLN  14          2HG       GLN  14  -3.756   8.521   8.521
  372   2HG   GLN  14          1HG       GLN  14  -4.599   9.888   9.888
  373   1HE2  GLN  14          2HE2      GLN  14  -6.945  10.173  10.173
  374   2HE2  GLN  14          1HE2      GLN  14  -6.860  10.336  10.336
  375    H    GLN  15           H        GLN  15  -6.267   7.179   7.179
  376    HA   GLN  15           HA       GLN  15  -7.762   4.830   4.830
  377   1HB   GLN  15          2HB       GLN  15  -7.270   6.348   6.348
  378   2HB   GLN  15          1HB       GLN  15  -8.469   5.071   5.071
  379   1HG   GLN  15          2HG       GLN  15  -9.170   6.581   6.581
  380   2HG   GLN  15          1HG       GLN  15  -8.463   7.846   7.846
  381   1HE2  GLN  15          2HE2      GLN  15 -11.173   7.907   7.907
  382   2HE2  GLN  15          1HE2      GLN  15  -9.701   8.598   8.598
  383    H    ASP  16           H        ASP  16  -4.784   5.440   5.440
  384    HA   ASP  16           HA       ASP  16  -4.639   2.953   2.953
  385   1HB   ASP  16          2HB       ASP  16  -3.201   5.208   5.208
  386   2HB   ASP  16          1HB       ASP  16  -2.119   4.279   4.279
  387    H    ILE  17           H        ILE  17  -3.297   4.084   4.084
  388    HA   ILE  17           HA       ILE  17  -1.883   1.757   1.757
  389    HB   ILE  17           HB       ILE  17  -3.067   4.039   4.039
  390   1HG1  ILE  17          2HG1      ILE  17  -0.466   3.886   3.886
  391   2HG1  ILE  17          1HG1      ILE  17  -0.400   3.058   3.058
  392   1HG2  ILE  17          1HG2      ILE  17  -2.046   1.443   1.443
  393   2HG2  ILE  17          3HG2      ILE  17  -1.786   2.956   2.956
  394   3HG2  ILE  17          2HG2      ILE  17  -3.426   2.413   2.413
  395   1HD1  ILE  17          1HD1      ILE  17  -1.889   5.659   5.659
  396   2HD1  ILE  17          3HD1      ILE  17  -0.134   5.662   5.662
  397   3HD1  ILE  17          2HD1      ILE  17  -1.149   4.935   4.935
  398    H    ASP  18           H        ASP  18  -4.893   2.772   2.772
  399    HA   ASP  18           HA       ASP  18  -5.584   0.449   0.449
  400   1HB   ASP  18          2HB       ASP  18  -7.130   2.755   2.755
  401   2HB   ASP  18          1HB       ASP  18  -8.059   1.311   1.311
  402    H    ASP  19           H        ASP  19  -5.910   1.167   1.167
  403    HA   ASP  19           HA       ASP  19  -7.636  -1.067  -1.067
  404   1HB   ASP  19          2HB       ASP  19  -7.511   1.007   1.007
  405   2HB   ASP  19          1HB       ASP  19  -5.901   0.497   0.497
  406    H    LEU  20           H        LEU  20  -4.175  -0.403  -0.403
  407    HA   LEU  20           HA       LEU  20  -3.435  -2.836  -2.836
  408   1HB   LEU  20          2HB       LEU  20  -1.884  -0.860  -0.860
  409   2HB   LEU  20          1HB       LEU  20  -1.145  -2.289  -2.289
  410    HG   LEU  20           HG       LEU  20  -2.750  -0.356  -0.356
  411   1HD1  LEU  20          1HD1      LEU  20   0.127  -0.178  -0.178
  412   2HD1  LEU  20          3HD1      LEU  20  -0.402   0.526   0.526
  413   3HD1  LEU  20          2HD1      LEU  20  -1.100   1.089   1.089
  414   1HD2  LEU  20          1HD2      LEU  20  -2.191  -2.611  -2.611
  415   2HD2  LEU  20          3HD2      LEU  20  -1.403  -1.320  -1.320
  416   3HD2  LEU  20          2HD2      LEU  20  -0.480  -2.266  -2.266
  417    H    LYS  21           H        LYS  21  -3.360  -1.775  -1.775
  418    HA   LYS  21           HA       LYS  21  -2.403  -4.189  -4.189
  419   1HB   LYS  21          2HB       LYS  21  -4.090  -1.982  -1.982
  420   2HB   LYS  21          1HB       LYS  21  -3.493  -3.348  -3.348
  421   1HG   LYS  21          2HG       LYS  21  -1.168  -2.707  -2.707
  422   2HG   LYS  21          1HG       LYS  21  -1.930  -1.150  -1.150
  423   1HD   LYS  21          2HD       LYS  21  -2.382  -0.780  -0.780
  424   2HD   LYS  21          1HD       LYS  21  -2.011  -2.454  -2.454
  425   1HE   LYS  21          2HE       LYS  21   0.082  -0.706  -0.706
  426   2HE   LYS  21          1HE       LYS  21  -0.206  -0.631  -0.631
  427   1HZ   LYS  21          1HZ       LYS  21   0.281  -3.174  -3.174
  428   2HZ   LYS  21          3HZ       LYS  21   1.533  -2.255  -2.255
  429   3HZ   LYS  21          2HZ       LYS  21   0.316  -2.899  -2.899
  430    H    ARG  22           H        ARG  22  -5.666  -3.062  -3.062
  431    HA   ARG  22           HA       ARG  22  -7.022  -5.241  -5.241
  432   1HB   ARG  22          2HB       ARG  22  -8.079  -3.035  -3.035
  433   2HB   ARG  22          1HB       ARG  22  -8.032  -3.528  -3.528
  434   1HG   ARG  22          2HG       ARG  22  -9.183  -5.724  -5.724
  435   2HG   ARG  22          1HG       ARG  22  -9.738  -4.539  -4.539
  436   1HD   ARG  22          2HD       ARG  22 -11.068  -3.456  -3.456
  437   2HD   ARG  22          1HD       ARG  22  -9.951  -3.723  -3.723
  438    HE   ARG  22           HE       ARG  22 -11.187  -6.169  -6.169
  439   1HH1  ARG  22          1HH1      ARG  22 -11.741  -3.229  -3.229
  440   2HH1  ARG  22          2HH1      ARG  22 -12.926  -3.955  -3.955
  441   1HH2  ARG  22          1HH2      ARG  22 -12.737  -7.075  -7.075
  442   2HH2  ARG  22          2HH2      ARG  22 -13.486  -6.114  -6.114
  443    H    GLN  23           H        GLN  23  -5.913  -4.589  -4.589
  444    HA   GLN  23           HA       GLN  23  -7.038  -6.977  -6.977
  445   1HB   GLN  23          2HB       GLN  23  -6.323  -4.816  -4.816
  446   2HB   GLN  23          1HB       GLN  23  -4.696  -5.493  -5.493
  447   1HG   GLN  23          2HG       GLN  23  -6.822  -7.355  -7.355
  448   2HG   GLN  23          1HG       GLN  23  -6.462  -6.020  -6.020
  449   1HE2  GLN  23          2HE2      GLN  23  -3.927  -8.226  -8.226
  450   2HE2  GLN  23          1HE2      GLN  23  -5.481  -7.615  -7.615
  451    H    ASN  24           H        ASN  24  -3.764  -6.007  -6.007
  452    HA   ASN  24           HA       ASN  24  -2.509  -8.469  -8.469
  453   1HB   ASN  24          2HB       ASN  24  -1.710  -6.409  -6.409
  454   2HB   ASN  24          1HB       ASN  24  -0.673  -7.678  -7.678
  455   1HD2  ASN  24          2HD2      ASN  24   0.322  -5.064  -5.064
  456   2HD2  ASN  24          1HD2      ASN  24   0.739  -5.858  -5.858
  457    H    ALA  25           H        ALA  25  -4.204  -7.290  -7.290
  458    HA   ALA  25           HA       ALA  25  -3.402  -9.279  -9.279
  459   1HB   ALA  25          3HB       ALA  25  -5.786  -7.466  -7.466
  460   2HB   ALA  25          2HB       ALA  25  -5.748  -8.735  -8.735
  461   3HB   ALA  25          1HB       ALA  25  -4.503  -7.486  -7.486
  462    H    LEU  26           H        LEU  26  -6.258  -9.086  -9.086
  463    HA   LEU  26           HA       LEU  26  -7.352 -11.589 -11.589
  464   1HB   LEU  26          2HB       LEU  26  -7.735  -9.651  -9.651
  465   2HB   LEU  26          1HB       LEU  26  -8.265 -11.303 -11.303
  466    HG   LEU  26           HG       LEU  26 -10.092  -9.930  -9.930
  467   1HD1  LEU  26          2HD1      LEU  26  -9.509 -12.457 -12.457
  468   2HD1  LEU  26          1HD1      LEU  26  -9.378 -11.737 -11.737
  469   3HD1  LEU  26          3HD1      LEU  26 -10.887 -11.607 -11.607
  470   1HD2  LEU  26          3HD2      LEU  26  -8.150  -9.596  -9.596
  471   2HD2  LEU  26          2HD2      LEU  26  -8.868  -8.324  -8.324
  472   3HD2  LEU  26          1HD2      LEU  26  -9.875  -9.248  -9.248
  473    H    LEU  27           H        LEU  27  -4.905 -10.640 -10.640
  474    HA   LEU  27           HA       LEU  27  -4.803 -13.042 -13.042
  475   1HB   LEU  27          2HB       LEU  27  -2.976 -10.728 -10.728
  476   2HB   LEU  27          1HB       LEU  27  -2.279 -12.204 -12.204
  477    HG   LEU  27           HG       LEU  27  -4.809 -11.014 -11.014
  478   1HD1  LEU  27          2HD1      LEU  27  -2.731  -9.432  -9.432
  479   2HD1  LEU  27          1HD1      LEU  27  -2.082 -10.529 -10.529
  480   3HD1  LEU  27          3HD1      LEU  27  -3.589  -9.664  -9.664
  481   1HD2  LEU  27          2HD2      LEU  27  -3.694 -13.427 -13.427
  482   2HD2  LEU  27          1HD2      LEU  27  -4.516 -12.537 -12.537
  483   3HD2  LEU  27          3HD2      LEU  27  -2.756 -12.490 -12.490
  484    H    GLU  28           H        GLU  28  -2.699 -11.904 -11.904
  485    HA   GLU  28           HA       GLU  28  -1.204 -14.258 -14.258
  486   1HB   GLU  28          2HB       GLU  28  -0.662 -12.049 -12.049
  487   2HB   GLU  28          1HB       GLU  28  -1.972 -12.321 -12.321
  488   1HG   GLU  28          2HG       GLU  28  -0.314 -13.268 -13.268
  489   2HG   GLU  28          1HG       GLU  28  -0.640 -14.674 -14.674
  490    H    GLN  29           H        GLN  29  -4.201 -13.219 -13.219
  491    HA   GLN  29           HA       GLN  29  -4.509 -15.332 -15.332
  492   1HB   GLN  29          2HB       GLN  29  -6.396 -13.459 -13.459
  493   2HB   GLN  29          1HB       GLN  29  -7.067 -14.854 -14.854
  494   1HG   GLN  29          2HG       GLN  29  -5.315 -14.027 -14.027
  495   2HG   GLN  29          1HG       GLN  29  -5.647 -12.479 -12.479
  496   1HE2  GLN  29          2HE2      GLN  29  -8.698 -14.415 -14.415
  497   2HE2  GLN  29          1HE2      GLN  29  -7.347 -15.304 -15.304
  498    H    GLN  30           H        GLN  30  -5.122 -15.175 -15.175
  499    HA   GLN  30           HA       GLN  30  -6.453 -17.773 -17.773
  500   1HB   GLN  30          2HB       GLN  30  -6.897 -15.695 -15.695
  501   2HB   GLN  30          1HB       GLN  30  -5.551 -16.369 -16.369
  502   1HG   GLN  30          2HG       GLN  30  -6.687 -18.425 -18.425
  503   2HG   GLN  30          1HG       GLN  30  -7.893 -18.065 -18.065
  504   1HE2  GLN  30          2HE2      GLN  30  -8.184 -16.127 -16.127
  505   2HE2  GLN  30          1HE2      GLN  30  -6.659 -16.644 -16.644
  506    H    VAL  31           H        VAL  31  -3.363 -16.312 -16.312
  507    HA   VAL  31           HA       VAL  31  -2.247 -18.584 -18.584
  508    HB   VAL  31           HB       VAL  31  -0.818 -16.322 -16.322
  509   1HG1  VAL  31          1HG1      VAL  31   0.028 -18.550 -18.550
  510   2HG1  VAL  31          3HG1      VAL  31   0.831 -16.989 -16.989
  511   3HG1  VAL  31          2HG1      VAL  31   0.875 -17.838 -17.838
  512   1HG2  VAL  31          2HG2      VAL  31  -2.562 -16.112 -16.112
  513   2HG2  VAL  31          1HG2      VAL  31  -1.267 -14.976 -14.976
  514   3HG2  VAL  31          3HG2      VAL  31  -0.995 -16.270 -16.270
  515    H    ARG  32           H        ARG  32  -2.444 -17.510 -17.510
  516    HA   ARG  32           HA       ARG  32  -0.529 -19.333 -19.333
  517   1HB   ARG  32          2HB       ARG  32  -1.441 -17.246 -17.246
  518   2HB   ARG  32          1HB       ARG  32  -2.890 -18.187 -18.187
  519   1HG   ARG  32          2HG       ARG  32  -0.299 -19.479 -19.479
  520   2HG   ARG  32          1HG       ARG  32  -0.761 -18.101 -18.101
  521   1HD   ARG  32          2HD       ARG  32  -2.569 -19.183 -19.183
  522   2HD   ARG  32          1HD       ARG  32  -2.887 -20.098 -20.098
  523    HE   ARG  32           HE       ARG  32  -0.476 -21.040 -21.040
  524   1HH1  ARG  32          1HH1      ARG  32  -3.876 -20.929 -20.929
  525   2HH1  ARG  32          2HH1      ARG  32  -3.814 -22.382 -22.382
  526   1HH2  ARG  32          1HH2      ARG  32  -0.439 -22.932 -22.932
  527   2HH2  ARG  32          2HH2      ARG  32  -1.885 -23.508 -23.508
  528    H    ALA  33           H        ALA  33  -4.088 -19.372 -19.372
  529    HA   ALA  33           HA       ALA  33  -4.406 -21.923 -21.923
  530   1HB   ALA  33          3HB       ALA  33  -6.192 -20.357 -20.357
  531   2HB   ALA  33          2HB       ALA  33  -6.671 -21.869 -21.869
  532   3HB   ALA  33          1HB       ALA  33  -6.306 -20.454 -20.454
  533    H    LEU  34           H        LEU  34  -3.980 -20.864 -20.864
  534    HA   LEU  34           HA       LEU  34  -4.075 -23.664 -23.664
  535   1HB   LEU  34          2HB       LEU  34  -4.190 -21.025 -21.025
  536   2HB   LEU  34          1HB       LEU  34  -3.959 -22.563 -22.563
  537    HG   LEU  34           HG       LEU  34  -6.238 -22.133 -22.133
  538   1HD1  LEU  34          3HD1      LEU  34  -6.235 -20.444 -20.444
  539   2HD1  LEU  34          2HD1      LEU  34  -6.390 -21.813 -21.813
  540   3HD1  LEU  34          1HD1      LEU  34  -7.654 -21.486 -21.486
  541   1HD2  LEU  34          1HD2      LEU  34  -5.298 -24.421 -24.421
  542   2HD2  LEU  34          3HD2      LEU  34  -7.024 -24.155 -24.155
  543   3HD2  LEU  34          2HD2      LEU  34  -6.315 -23.923 -23.923
  544   1HN   NH2  35          1HT       LEU  34  -1.747 -22.516 -22.516
  545   2HN   NH2  35          2HT       LEU  34  -0.415 -22.680 -22.680

  Start of MODEL    3
    1   1H    ACE   2          1HA       ACE   2  -2.367  20.384  20.384
    2   2H    ACE   2          2HA       ACE   2  -3.897  21.256  21.256
    3   3H    ACE   2          3HA       ACE   2  -3.346  20.558  20.558
    4    H    CYS   3           H        CYS   3  -1.416  22.327  22.327
    5    HA   CYS   3           HA       CYS   3  -0.174  24.257  24.257
    6   1HB   CYS   3          2HB       CYS   3  -2.271  25.044  25.044
    7   2HB   CYS   3          1HB       CYS   3  -1.130  26.135  26.135
    8    H    GLY   4           H        GLY   4   1.589  23.089  23.089
    9   1HA   GLY   4          2HA       GLY   4   2.949  24.104  24.104
   10   2HA   GLY   4          1HA       GLY   4   1.871  22.982  22.982
   11    H    GLY   5           H        GLY   5   2.651  21.014  21.014
   12   1HA   GLY   5          2HA       GLY   5   5.024  20.141  20.141
   13   2HA   GLY   5          1HA       GLY   5   4.370  19.395  19.395
   14    H    VAL   6           H        VAL   6   3.051  20.158  20.158
   15    HA   VAL   6           HA       VAL   6   1.550  17.696  17.696
   16    HB   VAL   6           HB       VAL   6   2.086  19.625  19.625
   17   1HG1  VAL   6          2HG1      VAL   6   0.266  17.301  17.301
   18   2HG1  VAL   6          1HG1      VAL   6  -0.363  18.662  18.662
   19   3HG1  VAL   6          3HG1      VAL   6   1.078  17.806  17.806
   20   1HG2  VAL   6          1HG2      VAL   6  -0.020  19.627  19.627
   21   2HG2  VAL   6          3HG2      VAL   6   1.138  20.905  20.905
   22   3HG2  VAL   6          2HG2      VAL   6  -0.177  20.551  20.551
   23    H    GLN   7           H        GLN   7   4.488  18.955  18.955
   24    HA   GLN   7           HA       GLN   7   4.931  16.772  16.772
   25   1HB   GLN   7          2HB       GLN   7   6.080  19.167  19.167
   26   2HB   GLN   7          1HB       GLN   7   7.253  18.253  18.253
   27   1HG   GLN   7          2HG       GLN   7   7.627  16.711  16.711
   28   2HG   GLN   7          1HG       GLN   7   6.325  17.444  17.444
   29   1HE2  GLN   7          2HE2      GLN   7   8.288  20.189  20.189
   30   2HE2  GLN   7          1HE2      GLN   7   6.724  19.536  19.536
   31    H    ALA   8           H        ALA   8   5.901  17.439  17.439
   32    HA   ALA   8           HA       ALA   8   7.672  15.250  15.250
   33   1HB   ALA   8          3HB       ALA   8   7.178  17.335  17.335
   34   2HB   ALA   8          2HB       ALA   8   6.035  16.223  16.223
   35   3HB   ALA   8          1HB       ALA   8   7.751  15.815  15.815
   36    H    GLU   9           H        GLU   9   4.210  15.639  15.639
   37    HA   GLU   9           HA       GLU   9   3.840  12.996  12.996
   38   1HB   GLU   9          2HB       GLU   9   1.940  15.091  15.091
   39   2HB   GLU   9          1HB       GLU   9   1.383  13.500  13.500
   40   1HG   GLU   9          2HG       GLU   9   2.844  14.061  14.061
   41   2HG   GLU   9          1HG       GLU   9   2.575  15.724  15.724
   42    H    GLU  10           H        GLU  10   3.475  14.494  14.494
   43    HA   GLU  10           HA       GLU  10   2.308  12.267  12.267
   44   1HB   GLU  10          2HB       GLU  10   2.380  14.616  14.616
   45   2HB   GLU  10          1HB       GLU  10   4.090  14.364  14.364
   46   1HG   GLU  10          2HG       GLU  10   3.362  12.281  12.281
   47   2HG   GLU  10          1HG       GLU  10   1.716  12.901  12.901
   48    H    GLN  11           H        GLN  11   5.665  13.310  13.310
   49    HA   GLN  11           HA       GLN  11   6.882  11.343  11.343
   50   1HB   GLN  11          2HB       GLN  11   7.888  13.465  13.465
   51   2HB   GLN  11          1HB       GLN  11   8.217  12.330  12.330
   52   1HG   GLN  11          2HG       GLN  11  10.145  12.007  12.007
   53   2HG   GLN  11          1HG       GLN  11   9.115  10.853  10.853
   54   1HE2  GLN  11          2HE2      GLN  11   9.336  12.595  12.595
   55   2HE2  GLN  11          1HE2      GLN  11   8.959  11.153  11.153
   56    H    LYS  12           H        LYS  12   5.728  11.309  11.309
   57    HA   LYS  12           HA       LYS  12   6.965   8.815   8.815
   58   1HB   LYS  12          2HB       LYS  12   5.929  10.768  10.768
   59   2HB   LYS  12          1HB       LYS  12   4.502   9.734   9.734
   60   1HG   LYS  12          2HG       LYS  12   5.954   7.799   7.799
   61   2HG   LYS  12          1HG       LYS  12   7.250   8.958   8.958
   62   1HD   LYS  12          2HD       LYS  12   5.679  10.206  10.206
   63   2HD   LYS  12          1HD       LYS  12   4.544   8.867   8.867
   64   1HE   LYS  12          2HE       LYS  12   6.140   7.310   7.310
   65   2HE   LYS  12          1HE       LYS  12   7.400   8.545   8.545
   66   1HZ   LYS  12          3HZ       LYS  12   4.851   8.700   8.700
   67   2HZ   LYS  12          2HZ       LYS  12   6.345   8.233   8.233
   68   3HZ   LYS  12          1HZ       LYS  12   6.132   9.811   9.811
   69    H    LEU  13           H        LEU  13   3.796   9.818   9.818
   70    HA   LEU  13           HA       LEU  13   2.508   7.305   7.305
   71   1HB   LEU  13          2HB       LEU  13   1.994   9.686   9.686
   72   2HB   LEU  13          1HB       LEU  13   0.970   8.248   8.248
   73    HG   LEU  13           HG       LEU  13   1.604   9.511   9.511
   74   1HD1  LEU  13          1HD1      LEU  13  -0.039  10.715  10.715
   75   2HD1  LEU  13          3HD1      LEU  13  -0.673  10.802  10.802
   76   3HD1  LEU  13          2HD1      LEU  13   0.899  11.509  11.509
   77   1HD2  LEU  13          1HD2      LEU  13   0.208   7.346   7.346
   78   2HD2  LEU  13          3HD2      LEU  13  -0.370   8.460   8.460
   79   3HD2  LEU  13          2HD2      LEU  13  -1.064   8.509   8.509
   80    H    ILE  14           H        ILE  14   4.274   8.844   8.844
   81    HA   ILE  14           HA       ILE  14   3.845   6.830   6.830
   82    HB   ILE  14           HB       ILE  14   6.232   8.676   8.676
   83   1HG1  ILE  14          2HG1      ILE  14   3.918   9.168   9.168
   84   2HG1  ILE  14          1HG1      ILE  14   3.728   9.562   9.562
   85   1HG2  ILE  14          3HG2      ILE  14   6.519   6.762   6.762
   86   2HG2  ILE  14          2HG2      ILE  14   5.068   7.289   7.289
   87   3HG2  ILE  14          1HG2      ILE  14   6.497   8.322   8.322
   88   1HD1  ILE  14          1HD1      ILE  14   6.151  10.485  10.485
   89   2HD1  ILE  14          3HD1      ILE  14   4.648  11.409  11.409
   90   3HD1  ILE  14          2HD1      ILE  14   5.480  11.138  11.138
   91    H    SER  15           H        SER  15   6.601   7.390   7.390
   92    HA   SER  15           HA       SER  15   8.105   5.143   5.143
   93   1HB   SER  15          2HB       SER  15   9.021   5.360   5.360
   94   2HB   SER  15          1HB       SER  15   9.248   6.718   6.718
   95    HG   SER  15           HG       SER  15   8.414   7.555   7.555
   96    H    GLU  16           H        GLU  16   5.731   5.539   5.539
   97    HA   GLU  16           HA       GLU  16   5.915   2.891   2.891
   98   1HB   GLU  16          2HB       GLU  16   4.744   5.037   5.037
   99   2HB   GLU  16          1HB       GLU  16   3.337   4.406   4.406
  100   1HG   GLU  16          2HG       GLU  16   3.970   2.140   2.140
  101   2HG   GLU  16          1HG       GLU  16   4.897   3.149   3.149
  102    H    GLU  17           H        GLU  17   3.798   4.417   4.417
  103    HA   GLU  17           HA       GLU  17   2.120   2.202   2.202
  104   1HB   GLU  17          2HB       GLU  17   1.739   4.579   4.579
  105   2HB   GLU  17          1HB       GLU  17   2.932   4.271   4.271
  106   1HG   GLU  17          2HG       GLU  17   1.578   2.350   2.350
  107   2HG   GLU  17          1HG       GLU  17   0.372   2.704   2.704
  108    H    ASP  18           H        ASP  18   5.272   3.118   3.118
  109    HA   ASP  18           HA       ASP  18   5.416   1.294   1.294
  110   1HB   ASP  18          2HB       ASP  18   7.016   3.228   3.228
  111   2HB   ASP  18          1HB       ASP  18   7.790   2.103   2.103
  112    H    LEU  19           H        LEU  19   6.115   0.979   0.979
  113    HA   LEU  19           HA       LEU  19   7.368  -1.554  -1.554
  114   1HB   LEU  19          2HB       LEU  19   7.308   0.008   0.008
  115   2HB   LEU  19          1HB       LEU  19   5.637  -0.493  -0.493
  116    HG   LEU  19           HG       LEU  19   6.776  -2.924  -2.924
  117   1HD1  LEU  19          3HD1      LEU  19   8.930  -1.007  -1.007
  118   2HD1  LEU  19          2HD1      LEU  19   8.925  -2.678  -2.678
  119   3HD1  LEU  19          1HD1      LEU  19   9.040  -2.332  -2.332
  120   1HD2  LEU  19          3HD2      LEU  19   6.383  -1.073  -1.073
  121   2HD2  LEU  19          2HD2      LEU  19   5.494  -2.535  -2.535
  122   3HD2  LEU  19          1HD2      LEU  19   7.109  -2.655  -2.655
  123    H    LEU  20           H        LEU  20   3.978  -0.619  -0.619
  124    HA   LEU  20           HA       LEU  20   2.955  -3.242  -3.242
  125   1HB   LEU  20          2HB       LEU  20   1.798  -0.553  -0.553
  126   2HB   LEU  20          1HB       LEU  20   0.810  -1.960  -1.960
  127    HG   LEU  20           HG       LEU  20   2.196  -1.849  -1.849
  128   1HD1  LEU  20          2HD1      LEU  20  -0.172  -0.220  -0.220
  129   2HD1  LEU  20          1HD1      LEU  20  -0.096  -0.825  -0.825
  130   3HD1  LEU  20          3HD1      LEU  20   1.169   0.244   0.244
  131   1HD2  LEU  20          2HD2      LEU  20  -0.304  -3.084  -3.084
  132   2HD2  LEU  20          1HD2      LEU  20   1.084  -3.900  -3.900
  133   3HD2  LEU  20          3HD2      LEU  20  -0.038  -3.005  -3.005
  134    H    ARG  21           H        ARG  21   3.635  -1.201  -1.201
  135    HA   ARG  21           HA       ARG  21   2.238  -2.677  -2.677
  136   1HB   ARG  21          2HB       ARG  21   4.593  -0.807  -0.807
  137   2HB   ARG  21          1HB       ARG  21   4.065  -1.659  -1.659
  138   1HG   ARG  21          2HG       ARG  21   1.689  -0.781  -0.781
  139   2HG   ARG  21          1HG       ARG  21   2.583   0.390   0.390
  140   1HD   ARG  21          2HD       ARG  21   3.283  -0.077  -0.077
  141   2HD   ARG  21          1HD       ARG  21   1.984   1.025   1.025
  142    HE   ARG  21           HE       ARG  21   4.083   1.851   1.851
  143   1HH1  ARG  21          1HH1      ARG  21   3.665   1.273   1.273
  144   2HH1  ARG  21          2HH1      ARG  21   4.827   2.469   2.469
  145   1HH2  ARG  21          1HH2      ARG  21   5.590   3.400   3.400
  146   2HH2  ARG  21          2HH2      ARG  21   5.908   3.664   3.664
  147    H    LYS  22           H        LYS  22   5.492  -2.956  -2.956
  148    HA   LYS  22           HA       LYS  22   6.491  -4.899  -4.899
  149   1HB   LYS  22          2HB       LYS  22   7.201  -4.006  -4.006
  150   2HB   LYS  22          1HB       LYS  22   7.895  -5.511  -5.511
  151   1HG   LYS  22          2HG       LYS  22   7.968  -3.202  -3.202
  152   2HG   LYS  22          1HG       LYS  22   9.019  -3.094  -3.094
  153   1HD   LYS  22          2HD       LYS  22  10.338  -4.179  -4.179
  154   2HD   LYS  22          1HD       LYS  22   9.781  -5.477  -5.477
  155   1HE   LYS  22          2HE       LYS  22   8.036  -6.089  -6.089
  156   2HE   LYS  22          1HE       LYS  22   8.358  -4.668  -4.668
  157   1HZ   LYS  22          3HZ       LYS  22  10.661  -5.591  -5.591
  158   2HZ   LYS  22          2HZ       LYS  22  10.093  -7.034  -7.034
  159   3HZ   LYS  22          1HZ       LYS  22   9.424  -6.470  -6.470
  160    H    ARG  23           H        ARG  23   4.663  -5.154  -5.154
  161    HA   ARG  23           HA       ARG  23   4.811  -7.988  -7.988
  162   1HB   ARG  23          2HB       ARG  23   4.162  -6.410  -6.410
  163   2HB   ARG  23          1HB       ARG  23   2.607  -6.201  -6.201
  164   1HG   ARG  23          2HG       ARG  23   2.081  -7.944  -7.944
  165   2HG   ARG  23          1HG       ARG  23   2.626  -8.859  -8.859
  166   1HD   ARG  23          2HD       ARG  23   4.868  -9.056  -9.056
  167   2HD   ARG  23          1HD       ARG  23   4.380  -8.081  -8.081
  168    HE   ARG  23           HE       ARG  23   2.605 -10.213 -10.213
  169   1HH1  ARG  23          1HH1      ARG  23   6.068  -9.786  -9.786
  170   2HH1  ARG  23          2HH1      ARG  23   6.278 -11.225 -11.225
  171   1HH2  ARG  23          1HH2      ARG  23   2.925 -12.081 -12.081
  172   2HH2  ARG  23          2HH2      ARG  23   4.516 -12.515 -12.515
  173    H    ARG  24           H        ARG  24   2.671  -5.780  -5.780
  174    HA   ARG  24           HA       ARG  24   0.582  -7.588  -7.588
  175   1HB   ARG  24          2HB       ARG  24   1.529  -4.987  -4.987
  176   2HB   ARG  24          1HB       ARG  24   0.449  -5.956  -5.956
  177   1HG   ARG  24          2HG       ARG  24  -0.875  -6.168  -6.168
  178   2HG   ARG  24          1HG       ARG  24  -0.082  -4.620  -4.620
  179   1HD   ARG  24          2HD       ARG  24  -1.800  -5.311  -5.311
  180   2HD   ARG  24          1HD       ARG  24  -2.271  -4.274  -4.274
  181    HE   ARG  24           HE       ARG  24   0.044  -3.145  -3.145
  182   1HH1  ARG  24          1HH1      ARG  24  -3.082  -3.998  -3.998
  183   2HH1  ARG  24          2HH1      ARG  24  -3.051  -2.737  -2.737
  184   1HH2  ARG  24          1HH2      ARG  24   0.043  -1.513  -1.513
  185   2HH2  ARG  24          2HH2      ARG  24  -1.297  -1.340  -1.340
  186    H    GLU  25           H        GLU  25   3.334  -6.523  -6.523
  187    HA   GLU  25           HA       GLU  25   2.872  -8.310  -8.310
  188   1HB   GLU  25          2HB       GLU  25   5.330  -6.857  -6.857
  189   2HB   GLU  25          1HB       GLU  25   5.388  -7.950  -7.950
  190   1HG   GLU  25          2HG       GLU  25   3.675  -6.657  -6.657
  191   2HG   GLU  25          1HG       GLU  25   3.471  -5.615  -5.615
  192    H    GLN  26           H        GLN  26   4.748  -8.618  -8.618
  193    HA   GLN  26           HA       GLN  26   6.044 -11.051 -11.051
  194   1HB   GLN  26          2HB       GLN  26   6.432  -9.425  -9.425
  195   2HB   GLN  26          1HB       GLN  26   5.143 -10.328 -10.328
  196   1HG   GLN  26          2HG       GLN  26   6.556 -12.422 -12.422
  197   2HG   GLN  26          1HG       GLN  26   7.873 -11.248 -11.248
  198   1HE2  GLN  26          2HE2      GLN  26   6.323 -12.497 -12.497
  199   2HE2  GLN  26          1HE2      GLN  26   5.603 -12.966 -12.966
  200    H    LEU  27           H        LEU  27   2.858 -10.321 -10.321
  201    HA   LEU  27           HA       LEU  27   2.190 -12.989 -12.989
  202   1HB   LEU  27          2HB       LEU  27   0.669 -10.449 -10.449
  203   2HB   LEU  27          1HB       LEU  27  -0.228 -11.967 -11.967
  204    HG   LEU  27           HG       LEU  27   1.858 -11.464 -11.464
  205   1HD1  LEU  27          2HD1      LEU  27  -0.768 -10.026 -10.026
  206   2HD1  LEU  27          1HD1      LEU  27  -0.158 -10.433 -10.433
  207   3HD1  LEU  27          3HD1      LEU  27   0.791  -9.399  -9.399
  208   1HD2  LEU  27          1HD2      LEU  27   0.450 -13.594 -13.594
  209   2HD2  LEU  27          3HD2      LEU  27   0.463 -12.886 -12.886
  210   3HD2  LEU  27          2HD2      LEU  27  -0.921 -12.633 -12.633
  211    H    LYS  28           H        LYS  28   1.102 -11.006 -11.006
  212    HA   LYS  28           HA       LYS  28  -0.197 -13.097 -13.097
  213   1HB   LYS  28          2HB       LYS  28  -0.004 -11.630 -11.630
  214   2HB   LYS  28          1HB       LYS  28  -0.621 -10.777 -10.777
  215   1HG   LYS  28          2HG       LYS  28   1.551  -9.801  -9.801
  216   2HG   LYS  28          1HG       LYS  28   2.294 -10.780 -10.780
  217   1HD   LYS  28          2HD       LYS  28   0.003  -8.949  -8.949
  218   2HD   LYS  28          1HD       LYS  28   1.642  -8.307  -8.307
  219   1HE   LYS  28          2HE       LYS  28   2.306 -10.251 -10.251
  220   2HE   LYS  28          1HE       LYS  28   0.581 -10.381 -10.381
  221   1HZ   LYS  28          2HZ       LYS  28   1.912  -7.761  -7.761
  222   2HZ   LYS  28          1HZ       LYS  28   2.044  -8.846  -8.846
  223   3HZ   LYS  28          3HZ       LYS  28   0.516  -8.302  -8.302
  224    H    HIS  29           H        HIS  29   3.153 -12.083 -12.083
  225    HA   HIS  29           HA       HIS  29   4.098 -13.434 -13.434
  226   1HB   HIS  29          2HB       HIS  29   5.336 -12.409 -12.409
  227   2HB   HIS  29          1HB       HIS  29   6.267 -13.548 -13.548
  228    HD1  HIS  29           HD1      HIS  29   5.436 -12.681 -12.681
  229    HD2  HIS  29           HD2      HIS  29   6.440  -9.980  -9.980
  230    HE1  HIS  29           HE1      HIS  29   6.132 -10.540 -10.540
  231    H    LYS  30           H        LYS  30   3.393 -14.513 -14.513
  232    HA   LYS  30           HA       LYS  30   4.677 -17.065 -17.065
  233   1HB   LYS  30          2HB       LYS  30   2.616 -15.961 -15.961
  234   2HB   LYS  30          1HB       LYS  30   3.200 -17.622 -17.622
  235   1HG   LYS  30          2HG       LYS  30   5.570 -16.363 -16.363
  236   2HG   LYS  30          1HG       LYS  30   4.624 -15.075 -15.075
  237   1HD   LYS  30          2HD       LYS  30   4.240 -16.291 -16.291
  238   2HD   LYS  30          1HD       LYS  30   4.354 -17.843 -17.843
  239   1HE   LYS  30          2HE       LYS  30   6.688 -17.844 -17.844
  240   2HE   LYS  30          1HE       LYS  30   6.785 -16.090 -16.090
  241   1HZ   LYS  30          2HZ       LYS  30   5.573 -17.733 -17.733
  242   2HZ   LYS  30          1HZ       LYS  30   7.257 -17.517 -17.517
  243   3HZ   LYS  30          3HZ       LYS  30   6.239 -16.173 -16.173
  244    H    LEU  31           H        LEU  31   1.242 -16.099 -16.099
  245    HA   LEU  31           HA       LEU  31   0.221 -18.627 -18.627
  246   1HB   LEU  31          2HB       LEU  31  -0.841 -15.837 -15.837
  247   2HB   LEU  31          1HB       LEU  31  -1.723 -17.067 -17.067
  248    HG   LEU  31           HG       LEU  31  -1.715 -18.504 -18.504
  249   1HD1  LEU  31          1HD1      LEU  31  -0.638 -15.976 -15.976
  250   2HD1  LEU  31          3HD1      LEU  31  -1.149 -17.428 -17.428
  251   3HD1  LEU  31          2HD1      LEU  31   0.255 -17.483 -17.483
  252   1HD2  LEU  31          3HD2      LEU  31  -3.654 -17.068 -17.068
  253   2HD2  LEU  31          2HD2      LEU  31  -3.446 -17.199 -17.199
  254   3HD2  LEU  31          1HD2      LEU  31  -2.927 -15.739 -15.739
  255    H    GLU  32           H        GLU  32   1.435 -15.927 -15.927
  256    HA   GLU  32           HA       GLU  32   0.466 -16.799 -16.799
  257   1HB   GLU  32          2HB       GLU  32   2.618 -14.886 -14.886
  258   2HB   GLU  32          1HB       GLU  32   2.405 -15.298 -15.298
  259   1HG   GLU  32          2HG       GLU  32  -0.008 -14.514 -14.514
  260   2HG   GLU  32          1HG       GLU  32   1.100 -13.248 -13.248
  261    H    GLN  33           H        GLN  33   3.294 -17.541 -17.541
  262    HA   GLN  33           HA       GLN  33   4.472 -19.077 -19.077
  263   1HB   GLN  33          2HB       GLN  33   5.702 -17.467 -17.467
  264   2HB   GLN  33          1HB       GLN  33   5.800 -18.993 -18.993
  265   1HG   GLN  33          2HG       GLN  33   6.518 -18.963 -18.963
  266   2HG   GLN  33          1HG       GLN  33   7.680 -18.331 -18.331
  267   1HE2  GLN  33          2HE2      GLN  33   7.243 -22.307 -22.307
  268   2HE2  GLN  33          1HE2      GLN  33   6.527 -21.203 -21.203
  269    H    LEU  34           H        LEU  34   2.046 -20.037 -20.037
  270    HA   LEU  34           HA       LEU  34   2.937 -22.392 -22.392
  271   1HB   LEU  34          2HB       LEU  34   0.408 -20.825 -20.825
  272   2HB   LEU  34          1HB       LEU  34   0.264 -22.568 -22.568
  273    HG   LEU  34           HG       LEU  34   2.129 -20.833 -20.833
  274   1HD1  LEU  34          2HD1      LEU  34  -0.520 -20.483 -20.483
  275   2HD1  LEU  34          1HD1      LEU  34  -0.416 -21.924 -21.924
  276   3HD1  LEU  34          3HD1      LEU  34   0.474 -20.469 -20.469
  277   1HD2  LEU  34          2HD2      LEU  34   2.165 -23.518 -23.518
  278   2HD2  LEU  34          1HD2      LEU  34   2.607 -22.742 -22.742
  279   3HD2  LEU  34          3HD2      LEU  34   0.985 -23.404 -23.404
  280   1HN   NH2  35          1HT       LEU  34   3.305 -24.134 -24.134
  281   2HN   NH2  35          2HT       LEU  34   2.336 -24.551 -24.551
  282   1H    ACE   2          1HA       ACE   2  -0.983  26.156  26.156
  283   2H    ACE   2          2HA       ACE   2  -2.607  26.755  26.755
  284   3H    ACE   2          3HA       ACE   2  -1.788  25.717  25.717
  285    H    CYS   3           H        CYS   3  -4.317  25.580  25.580
  286    HA   CYS   3           HA       CYS   3  -3.764  22.978  22.978
  287   1HB   CYS   3          2HB       CYS   3  -5.788  25.131  25.131
  288   2HB   CYS   3          1HB       CYS   3  -6.217  23.468  23.468
  289    H    GLY   4           H        GLY   4  -5.768  24.591  24.591
  290   1HA   GLY   4          2HA       GLY   4  -7.498  22.380  22.380
  291   2HA   GLY   4          1HA       GLY   4  -7.261  23.784  23.784
  292    H    GLY   5           H        GLY   5  -7.130  20.597  20.597
  293   1HA   GLY   5          2HA       GLY   5  -6.320  19.378  19.378
  294   2HA   GLY   5          1HA       GLY   5  -5.063  20.592  20.592
  295    H    MET   6           H        MET   6  -3.906  20.768  20.768
  296    HA   MET   6           HA       MET   6  -2.209  18.508  18.508
  297   1HB   MET   6          2HB       MET   6  -2.651  20.784  20.784
  298   2HB   MET   6          1HB       MET   6  -1.458  19.515  19.515
  299   1HG   MET   6          2HG       MET   6  -0.490  20.036  20.036
  300   2HG   MET   6          1HG       MET   6  -1.564  21.435  21.435
  301   1HE   MET   6          3HE       MET   6   1.258  21.044  21.044
  302   2HE   MET   6          2HE       MET   6   1.870  22.589  22.589
  303   3HE   MET   6          1HE       MET   6   2.379  21.094  21.094
  304    H    ARG   7           H        ARG   7  -4.987  19.475  19.475
  305    HA   ARG   7           HA       ARG   7  -4.794  17.459  17.459
  306   1HB   ARG   7          2HB       ARG   7  -6.289  19.500  19.500
  307   2HB   ARG   7          1HB       ARG   7  -7.364  18.666  18.666
  308   1HG   ARG   7          2HG       ARG   7  -8.238  18.142  18.142
  309   2HG   ARG   7          1HG       ARG   7  -7.311  16.714  16.714
  310   1HD   ARG   7          2HD       ARG   7  -5.621  18.666  18.666
  311   2HD   ARG   7          1HD       ARG   7  -7.008  18.246  18.246
  312    HE   ARG   7           HE       ARG   7  -4.791  16.531  16.531
  313   1HH1  ARG   7          1HH1      ARG   7  -8.181  16.613  16.613
  314   2HH1  ARG   7          2HH1      ARG   7  -8.167  15.012  15.012
  315   1HH2  ARG   7          1HH2      ARG   7  -4.817  14.449  14.449
  316   2HH2  ARG   7          2HH2      ARG   7  -6.281  13.796  13.796
  317    H    ARG   8           H        ARG   8  -6.201  17.514  17.514
  318    HA   ARG   8           HA       ARG   8  -7.611  15.048  15.048
  319   1HB   ARG   8          2HB       ARG   8  -6.566  16.602  16.602
  320   2HB   ARG   8          1HB       ARG   8  -7.517  15.125  15.125
  321   1HG   ARG   8          2HG       ARG   8  -9.103  16.451  16.451
  322   2HG   ARG   8          1HG       ARG   8  -8.359  17.833  17.833
  323   1HD   ARG   8          2HD       ARG   8  -9.251  17.279  17.279
  324   2HD   ARG   8          1HD       ARG   8  -9.391  15.571  15.571
  325    HE   ARG   8           HE       ARG   8 -11.383  17.584  17.584
  326   1HH1  ARG   8          1HH1      ARG   8 -10.054  14.636  14.636
  327   2HH1  ARG   8          2HH1      ARG   8 -11.525  14.199  14.199
  328   1HH2  ARG   8          1HH2      ARG   8 -13.283  16.976  16.976
  329   2HH2  ARG   8          2HH2      ARG   8 -13.339  15.512  15.512
  330    H    LYS   9           H        LYS   9  -4.351  15.932  15.932
  331    HA   LYS   9           HA       LYS   9  -3.573  13.415  13.415
  332   1HB   LYS   9          2HB       LYS   9  -2.372  15.763  15.763
  333   2HB   LYS   9          1HB       LYS   9  -1.598  15.171  15.171
  334   1HG   LYS   9          2HG       LYS   9  -0.162  14.473  14.473
  335   2HG   LYS   9          1HG       LYS   9  -1.087  13.032  13.032
  336   1HD   LYS   9          2HD       LYS   9  -1.424  12.972  12.972
  337   2HD   LYS   9          1HD       LYS   9  -2.742  14.068  14.068
  338   1HE   LYS   9          2HE       LYS   9  -1.716  15.349  15.349
  339   2HE   LYS   9          1HE       LYS   9  -0.786  15.883  15.883
  340   1HZ   LYS   9          1HZ       LYS   9   0.037  13.574  13.574
  341   2HZ   LYS   9          3HZ       LYS   9   0.520  15.159  15.159
  342   3HZ   LYS   9          2HZ       LYS   9   0.968  14.451  14.451
  343    H    ASN  10           H        ASN  10  -3.066  14.876  14.876
  344    HA   ASN  10           HA       ASN  10  -1.818  12.614  12.614
  345   1HB   ASN  10          2HB       ASN  10  -3.168  15.060  15.060
  346   2HB   ASN  10          1HB       ASN  10  -2.753  13.741  13.741
  347   1HD2  ASN  10          2HD2      ASN  10   0.404  15.360  15.360
  348   2HD2  ASN  10          1HD2      ASN  10  -1.056  15.037  15.037
  349    H    ASP  11           H        ASP  11  -5.170  13.557  13.557
  350    HA   ASP  11           HA       ASP  11  -6.360  11.754  11.754
  351   1HB   ASP  11          2HB       ASP  11  -7.498  13.671  13.671
  352   2HB   ASP  11          1HB       ASP  11  -7.572  12.607  12.607
  353    H    THR  12           H        THR  12  -5.681  11.449  11.449
  354    HA   THR  12           HA       THR  12  -6.675   8.823   8.823
  355    HB   THR  12           HB       THR  12  -4.889   8.836   8.836
  356    HG1  THR  12           HG1      THR  12  -4.475  11.069  11.069
  357   1HG2  THR  12          1HG2      THR  12  -7.497   9.332   9.332
  358   2HG2  THR  12          3HG2      THR  12  -6.962  10.975  10.975
  359   3HG2  THR  12          2HG2      THR  12  -6.562   9.662   9.662
  360    H    HIS  13           H        HIS  13  -3.592  10.081  10.081
  361    HA   HIS  13           HA       HIS  13  -2.063   7.718   7.718
  362   1HB   HIS  13          2HB       HIS  13  -1.873  10.253  10.253
  363   2HB   HIS  13          1HB       HIS  13  -0.900   8.887   8.887
  364    HD1  HIS  13           HD1      HIS  13   0.164   7.615   7.615
  365    HD2  HIS  13           HD2      HIS  13  -0.318  11.752  11.752
  366    HE1  HIS  13           HE1      HIS  13   1.704   8.591   8.591
  367    H    GLN  14           H        GLN  14  -4.224   8.959   8.959
  368    HA   GLN  14           HA       GLN  14  -3.625   6.957   6.957
  369   1HB   GLN  14          2HB       GLN  14  -5.805   8.982   8.982
  370   2HB   GLN  14          1HB       GLN  14  -6.003   7.701   7.701
  371   1HG   GLN  14          2HG       GLN  14  -4.289   8.483   8.483
  372   2HG   GLN  14          1HG       GLN  14  -3.395   9.150   9.150
  373   1HE2  GLN  14          2HE2      GLN  14  -4.535  12.305  12.305
  374   2HE2  GLN  14          1HE2      GLN  14  -3.194  11.283  11.283
  375    H    GLN  15           H        GLN  15  -6.272   7.368   7.368
  376    HA   GLN  15           HA       GLN  15  -7.658   4.992   4.992
  377   1HB   GLN  15          2HB       GLN  15  -7.530   6.606   6.606
  378   2HB   GLN  15          1HB       GLN  15  -8.603   5.223   5.223
  379   1HG   GLN  15          2HG       GLN  15  -9.868   6.300   6.300
  380   2HG   GLN  15          1HG       GLN  15  -8.581   7.447   7.447
  381   1HE2  GLN  15          2HE2      GLN  15 -11.322   8.922   8.922
  382   2HE2  GLN  15          1HE2      GLN  15 -11.464   7.919   7.919
  383    H    ASP  16           H        ASP  16  -5.031   5.679   5.679
  384    HA   ASP  16           HA       ASP  16  -4.990   3.183   3.183
  385   1HB   ASP  16          2HB       ASP  16  -3.689   5.417   5.417
  386   2HB   ASP  16          1HB       ASP  16  -2.454   4.690   4.690
  387    H    ILE  17           H        ILE  17  -3.377   4.353   4.353
  388    HA   ILE  17           HA       ILE  17  -1.757   2.107   2.107
  389    HB   ILE  17           HB       ILE  17  -2.922   4.287   4.287
  390   1HG1  ILE  17          2HG1      ILE  17  -0.969   4.763   4.763
  391   2HG1  ILE  17          1HG1      ILE  17  -0.545   4.866   4.866
  392   1HG2  ILE  17          2HG2      ILE  17  -1.587   1.767   1.767
  393   2HG2  ILE  17          1HG2      ILE  17  -1.343   3.283   3.283
  394   3HG2  ILE  17          3HG2      ILE  17  -2.969   2.626   2.626
  395   1HD1  ILE  17          2HD1      ILE  17   0.174   2.380   2.380
  396   2HD1  ILE  17          1HD1      ILE  17   0.146   2.697   2.697
  397   3HD1  ILE  17          3HD1      ILE  17   1.226   3.617   3.617
  398    H    ASP  18           H        ASP  18  -4.658   2.954   2.954
  399    HA   ASP  18           HA       ASP  18  -5.078   0.567   0.567
  400   1HB   ASP  18          2HB       ASP  18  -6.837   2.824   2.824
  401   2HB   ASP  18          1HB       ASP  18  -7.646   1.326   1.326
  402    H    ASP  19           H        ASP  19  -5.781   1.354   1.354
  403    HA   ASP  19           HA       ASP  19  -7.493  -0.926  -0.926
  404   1HB   ASP  19          2HB       ASP  19  -7.550   1.248   1.248
  405   2HB   ASP  19          1HB       ASP  19  -6.058   0.716   0.716
  406    H    LEU  20           H        LEU  20  -4.073  -0.258  -0.258
  407    HA   LEU  20           HA       LEU  20  -3.441  -2.579  -2.579
  408   1HB   LEU  20          2HB       LEU  20  -1.762  -0.602  -0.602
  409   2HB   LEU  20          1HB       LEU  20  -1.065  -2.007  -2.007
  410    HG   LEU  20           HG       LEU  20  -2.875  -0.098  -0.098
  411   1HD1  LEU  20          2HD1      LEU  20  -0.015   0.226   0.226
  412   2HD1  LEU  20          1HD1      LEU  20  -0.459   0.683   0.683
  413   3HD1  LEU  20          3HD1      LEU  20  -1.252   1.454   1.454
  414   1HD2  LEU  20          3HD2      LEU  20  -2.169  -2.454  -2.454
  415   2HD2  LEU  20          2HD2      LEU  20  -1.954  -1.099  -1.099
  416   3HD2  LEU  20          1HD2      LEU  20  -0.571  -1.741  -1.741
  417    H    LYS  21           H        LYS  21  -3.276  -1.652  -1.652
  418    HA   LYS  21           HA       LYS  21  -2.067  -4.073  -4.073
  419   1HB   LYS  21          2HB       LYS  21  -2.913  -3.325  -3.325
  420   2HB   LYS  21          1HB       LYS  21  -1.881  -2.168  -2.168
  421   1HG   LYS  21          2HG       LYS  21  -3.713  -0.799  -0.799
  422   2HG   LYS  21          1HG       LYS  21  -4.885  -2.071  -2.071
  423   1HD   LYS  21          2HD       LYS  21  -5.049  -0.651  -0.651
  424   2HD   LYS  21          1HD       LYS  21  -3.987  -1.946  -1.946
  425   1HE   LYS  21          2HE       LYS  21  -2.055  -0.610  -0.610
  426   2HE   LYS  21          1HE       LYS  21  -2.853   0.545   0.545
  427   1HZ   LYS  21          3HZ       LYS  21  -4.295   1.158   1.158
  428   2HZ   LYS  21          2HZ       LYS  21  -3.394   0.130   0.130
  429   3HZ   LYS  21          1HZ       LYS  21  -2.659   1.486   1.486
  430    H    ARG  22           H        ARG  22  -5.393  -3.038  -3.038
  431    HA   ARG  22           HA       ARG  22  -6.521  -5.325  -5.325
  432   1HB   ARG  22          2HB       ARG  22  -8.674  -4.543  -4.543
  433   2HB   ARG  22          1HB       ARG  22  -7.795  -3.233  -3.233
  434   1HG   ARG  22          2HG       ARG  22  -8.260  -2.123  -2.123
  435   2HG   ARG  22          1HG       ARG  22  -6.857  -3.001  -3.001
  436   1HD   ARG  22          2HD       ARG  22  -8.632  -4.885  -4.885
  437   2HD   ARG  22          1HD       ARG  22  -9.772  -3.544  -3.544
  438    HE   ARG  22           HE       ARG  22  -7.491  -3.023  -3.023
  439   1HH1  ARG  22          1HH1      ARG  22 -10.657  -4.509  -4.509
  440   2HH1  ARG  22          2HH1      ARG  22 -10.925  -4.386  -4.386
  441   1HH2  ARG  22          1HH2      ARG  22  -7.883  -2.883  -2.883
  442   2HH2  ARG  22          2HH2      ARG  22  -9.370  -3.474  -3.474
  443    H    GLN  23           H        GLN  23  -5.650  -4.469  -4.469
  444    HA   GLN  23           HA       GLN  23  -6.986  -6.656  -6.656
  445   1HB   GLN  23          2HB       GLN  23  -6.235  -4.577  -4.577
  446   2HB   GLN  23          1HB       GLN  23  -4.570  -5.130  -5.130
  447   1HG   GLN  23          2HG       GLN  23  -5.372  -5.798  -5.798
  448   2HG   GLN  23          1HG       GLN  23  -5.196  -7.240  -7.240
  449   1HE2  GLN  23          2HE2      GLN  23  -8.563  -8.123  -8.123
  450   2HE2  GLN  23          1HE2      GLN  23  -6.970  -8.609  -8.609
  451    H    ASN  24           H        ASN  24  -3.670  -6.092  -6.092
  452    HA   ASN  24           HA       ASN  24  -2.605  -8.568  -8.568
  453   1HB   ASN  24          2HB       ASN  24  -1.753  -6.445  -6.445
  454   2HB   ASN  24          1HB       ASN  24  -0.974  -8.022  -8.022
  455   1HD2  ASN  24          2HD2      ASN  24   0.767  -5.811  -5.811
  456   2HD2  ASN  24          1HD2      ASN  24   0.279  -5.510  -5.510
  457    H    ALA  25           H        ALA  25  -4.319  -7.571  -7.571
  458    HA   ALA  25           HA       ALA  25  -3.745  -9.794  -9.794
  459   1HB   ALA  25          2HB       ALA  25  -6.068  -7.876  -7.876
  460   2HB   ALA  25          1HB       ALA  25  -6.010  -9.198  -9.198
  461   3HB   ALA  25          3HB       ALA  25  -4.762  -7.951  -7.951
  462    H    LEU  26           H        LEU  26  -6.404  -9.181  -9.181
  463    HA   LEU  26           HA       LEU  26  -7.737 -11.651 -11.651
  464   1HB   LEU  26          2HB       LEU  26  -7.853  -9.469  -9.469
  465   2HB   LEU  26          1HB       LEU  26  -8.465 -11.038 -11.038
  466    HG   LEU  26           HG       LEU  26 -10.259  -9.649  -9.649
  467   1HD1  LEU  26          3HD1      LEU  26  -9.882 -12.267 -12.267
  468   2HD1  LEU  26          2HD1      LEU  26  -9.803 -11.736 -11.736
  469   3HD1  LEU  26          1HD1      LEU  26 -11.243 -11.402 -11.402
  470   1HD2  LEU  26          3HD2      LEU  26  -8.452  -8.620  -8.620
  471   2HD2  LEU  26          2HD2      LEU  26 -10.155  -8.703  -8.703
  472   3HD2  LEU  26          1HD2      LEU  26  -9.024  -9.913  -9.913
  473    H    LEU  27           H        LEU  27  -5.260 -10.600 -10.600
  474    HA   LEU  27           HA       LEU  27  -5.199 -12.975 -12.975
  475   1HB   LEU  27          2HB       LEU  27  -3.026 -10.929 -10.929
  476   2HB   LEU  27          1HB       LEU  27  -2.963 -12.184 -12.184
  477    HG   LEU  27           HG       LEU  27  -5.206 -10.161 -10.161
  478   1HD1  LEU  27          3HD1      LEU  27  -2.957  -9.091  -9.091
  479   2HD1  LEU  27          2HD1      LEU  27  -2.792 -10.085 -10.085
  480   3HD1  LEU  27          1HD1      LEU  27  -4.084  -8.888  -8.888
  481   1HD2  LEU  27          2HD2      LEU  27  -4.249 -12.091 -12.091
  482   2HD2  LEU  27          1HD2      LEU  27  -5.766 -12.177 -12.177
  483   3HD2  LEU  27          3HD2      LEU  27  -5.496 -10.872 -10.872
  484    H    GLU  28           H        GLU  28  -3.263 -11.876 -11.876
  485    HA   GLU  28           HA       GLU  28  -1.530 -14.080 -14.080
  486   1HB   GLU  28          2HB       GLU  28  -1.255 -11.950 -11.950
  487   2HB   GLU  28          1HB       GLU  28  -2.607 -12.422 -12.422
  488   1HG   GLU  28          2HG       GLU  28  -1.378 -13.977 -13.977
  489   2HG   GLU  28          1HG       GLU  28  -0.483 -14.463 -14.463
  490    H    GLN  29           H        GLN  29  -4.711 -13.513 -13.513
  491    HA   GLN  29           HA       GLN  29  -4.892 -15.790 -15.790
  492   1HB   GLN  29          2HB       GLN  29  -6.533 -13.804 -13.804
  493   2HB   GLN  29          1HB       GLN  29  -7.258 -14.737 -14.737
  494   1HG   GLN  29          2HG       GLN  29  -8.493 -15.534 -15.534
  495   2HG   GLN  29          1HG       GLN  29  -7.162 -16.693 -16.693
  496   1HE2  GLN  29          2HE2      GLN  29  -7.601 -14.127 -14.127
  497   2HE2  GLN  29          1HE2      GLN  29  -8.668 -14.098 -14.098
  498    H    GLN  30           H        GLN  30  -5.540 -15.375 -15.375
  499    HA   GLN  30           HA       GLN  30  -6.510 -18.072 -18.072
  500   1HB   GLN  30          2HB       GLN  30  -5.630 -15.983 -15.983
  501   2HB   GLN  30          1HB       GLN  30  -6.370 -17.529 -17.529
  502   1HG   GLN  30          2HG       GLN  30  -7.733 -15.690 -15.690
  503   2HG   GLN  30          1HG       GLN  30  -7.896 -15.413 -15.413
  504   1HE2  GLN  30          2HE2      GLN  30 -10.640 -17.662 -17.662
  505   2HE2  GLN  30          1HE2      GLN  30 -10.184 -16.036 -16.036
  506    H    VAL  31           H        VAL  31  -3.472 -16.351 -16.351
  507    HA   VAL  31           HA       VAL  31  -2.058 -18.429 -18.429
  508    HB   VAL  31           HB       VAL  31  -0.957 -16.199 -16.199
  509   1HG1  VAL  31          2HG1      VAL  31   0.237 -18.186 -18.186
  510   2HG1  VAL  31          1HG1      VAL  31   0.949 -16.577 -16.577
  511   3HG1  VAL  31          3HG1      VAL  31   0.862 -17.602 -17.602
  512   1HG2  VAL  31          3HG2      VAL  31  -2.479 -15.933 -15.933
  513   2HG2  VAL  31          2HG2      VAL  31  -1.323 -14.746 -14.746
  514   3HG2  VAL  31          1HG2      VAL  31  -0.829 -15.915 -15.915
  515    H    ARG  32           H        ARG  32  -2.677 -17.632 -17.632
  516    HA   ARG  32           HA       ARG  32  -0.750 -19.308 -19.308
  517   1HB   ARG  32          2HB       ARG  32  -2.110 -17.548 -17.548
  518   2HB   ARG  32          1HB       ARG  32  -3.486 -18.651 -18.651
  519   1HG   ARG  32          2HG       ARG  32  -1.730 -20.358 -20.358
  520   2HG   ARG  32          1HG       ARG  32  -0.966 -18.869 -18.869
  521   1HD   ARG  32          2HD       ARG  32  -2.851 -18.226 -18.226
  522   2HD   ARG  32          1HD       ARG  32  -3.917 -19.323 -19.323
  523    HE   ARG  32           HE       ARG  32  -3.277 -21.017 -21.017
  524   1HH1  ARG  32          1HH1      ARG  32  -1.024 -18.349 -18.349
  525   2HH1  ARG  32          2HH1      ARG  32  -0.196 -19.024 -19.024
  526   1HH2  ARG  32          1HH2      ARG  32  -2.168 -21.863 -21.863
  527   2HH2  ARG  32          2HH2      ARG  32  -0.837 -20.997 -20.997
  528    H    ALA  33           H        ALA  33  -4.138 -19.884 -19.884
  529    HA   ALA  33           HA       ALA  33  -4.277 -22.548 -22.548
  530   1HB   ALA  33          3HB       ALA  33  -5.848 -21.006 -21.006
  531   2HB   ALA  33          2HB       ALA  33  -6.169 -22.712 -22.712
  532   3HB   ALA  33          1HB       ALA  33  -6.355 -21.529 -21.529
  533    H    LEU  34           H        LEU  34  -3.324 -21.150 -21.150
  534    HA   LEU  34           HA       LEU  34  -2.799 -23.819 -23.819
  535   1HB   LEU  34          2HB       LEU  34  -2.790 -21.048 -21.048
  536   2HB   LEU  34          1HB       LEU  34  -2.174 -22.454 -22.454
  537    HG   LEU  34           HG       LEU  34  -4.858 -22.713 -22.713
  538   1HD1  LEU  34          3HD1      LEU  34  -4.566 -20.417 -20.417
  539   2HD1  LEU  34          2HD1      LEU  34  -4.686 -21.443 -21.443
  540   3HD1  LEU  34          1HD1      LEU  34  -6.006 -21.403 -21.403
  541   1HD2  LEU  34          1HD2      LEU  34  -3.400 -23.702 -23.702
  542   2HD2  LEU  34          3HD2      LEU  34  -4.162 -24.636 -24.636
  543   3HD2  LEU  34          2HD2      LEU  34  -5.157 -23.814 -23.814
  544   1HN   NH2  35          1HT       LEU  34  -1.098 -22.747 -22.747
  545   2HN   NH2  35          2HT       LEU  34   0.473 -22.664 -22.664

  Start of MODEL    4
    1   1H    ACE   2          1HA       ACE   2  -1.480  28.386  28.386
    2   2H    ACE   2          2HA       ACE   2   0.264  28.398  28.398
    3   3H    ACE   2          3HA       ACE   2  -0.397  27.776  27.776
    4    H    CYS   3           H        CYS   3   0.629  25.760  25.760
    5    HA   CYS   3           HA       CYS   3  -0.909  23.752  23.752
    6   1HB   CYS   3          2HB       CYS   3   0.660  23.050  23.050
    7   2HB   CYS   3          1HB       CYS   3  -0.156  24.577  24.577
    8    H    GLY   4           H        GLY   4   2.325  24.777  24.777
    9   1HA   GLY   4          2HA       GLY   4   3.691  23.812  23.812
   10   2HA   GLY   4          1HA       GLY   4   2.545  22.481  22.481
   11    H    GLY   5           H        GLY   5   4.256  20.965  20.965
   12   1HA   GLY   5          2HA       GLY   5   5.931  20.800  20.800
   13   2HA   GLY   5          1HA       GLY   5   6.048  19.777  19.777
   14    H    VAL   6           H        VAL   6   3.754  20.524  20.524
   15    HA   VAL   6           HA       VAL   6   2.423  17.994  17.994
   16    HB   VAL   6           HB       VAL   6   2.455  19.907  19.907
   17   1HG1  VAL   6          1HG1      VAL   6   1.518  17.610  17.610
   18   2HG1  VAL   6          3HG1      VAL   6   0.373  17.910  17.910
   19   3HG1  VAL   6          2HG1      VAL   6   0.310  18.885  18.885
   20   1HG2  VAL   6          2HG2      VAL   6   0.994  19.941  19.941
   21   2HG2  VAL   6          1HG2      VAL   6   1.720  21.282  21.282
   22   3HG2  VAL   6          3HG2      VAL   6   0.203  20.576  20.576
   23    H    GLN   7           H        GLN   7   5.110  19.276  19.276
   24    HA   GLN   7           HA       GLN   7   5.288  17.216  17.216
   25   1HB   GLN   7          2HB       GLN   7   6.540  19.541  19.541
   26   2HB   GLN   7          1HB       GLN   7   7.761  18.552  18.552
   27   1HG   GLN   7          2HG       GLN   7   8.479  18.272  18.272
   28   2HG   GLN   7          1HG       GLN   7   7.288  16.971  16.971
   29   1HE2  GLN   7          2HE2      GLN   7   5.026  18.590  18.590
   30   2HE2  GLN   7          1HE2      GLN   7   5.239  17.311  17.311
   31    H    ALA   8           H        ALA   8   6.543  17.559  17.559
   32    HA   ALA   8           HA       ALA   8   8.228  15.247  15.247
   33   1HB   ALA   8          3HB       ALA   8   7.028  16.742  16.742
   34   2HB   ALA   8          2HB       ALA   8   8.246  15.473  15.473
   35   3HB   ALA   8          1HB       ALA   8   8.634  16.984  16.984
   36    H    GLU   9           H        GLU   9   5.020  15.880  15.880
   37    HA   GLU   9           HA       GLU   9   4.566  13.214  13.214
   38   1HB   GLU   9          2HB       GLU   9   2.562  15.381  15.381
   39   2HB   GLU   9          1HB       GLU   9   2.208  13.899  13.899
   40   1HG   GLU   9          2HG       GLU   9   4.447  15.620  15.620
   41   2HG   GLU   9          1HG       GLU   9   2.794  16.158  16.158
   42    H    GLU  10           H        GLU  10   3.876  14.946  14.946
   43    HA   GLU  10           HA       GLU  10   2.254  12.914  12.914
   44   1HB   GLU  10          2HB       GLU  10   2.324  15.316  15.316
   45   2HB   GLU  10          1HB       GLU  10   3.913  14.992  14.992
   46   1HG   GLU  10          2HG       GLU  10   3.018  13.382  13.382
   47   2HG   GLU  10          1HG       GLU  10   1.464  13.355  13.355
   48    H    GLN  11           H        GLN  11   5.701  13.572  13.572
   49    HA   GLN  11           HA       GLN  11   6.509  11.802  11.802
   50   1HB   GLN  11          2HB       GLN  11   7.954  13.559  13.559
   51   2HB   GLN  11          1HB       GLN  11   8.091  12.482  12.482
   52   1HG   GLN  11          2HG       GLN  11   9.988  11.927  11.927
   53   2HG   GLN  11          1HG       GLN  11   8.821  10.697  10.697
   54   1HE2  GLN  11          2HE2      GLN  11  10.371  12.999  12.999
   55   2HE2  GLN  11          1HE2      GLN  11  11.065  12.747  12.747
   56    H    LYS  12           H        LYS  12   5.768  11.338  11.338
   57    HA   LYS  12           HA       LYS  12   6.796   8.669   8.669
   58   1HB   LYS  12          2HB       LYS  12   4.786  10.143  10.143
   59   2HB   LYS  12          1HB       LYS  12   5.458   8.557   8.557
   60   1HG   LYS  12          2HG       LYS  12   7.747   9.550   9.550
   61   2HG   LYS  12          1HG       LYS  12   7.018  11.135  11.135
   62   1HD   LYS  12          2HD       LYS  12   5.998  11.142  11.142
   63   2HD   LYS  12          1HD       LYS  12   6.265   9.411   9.411
   64   1HE   LYS  12          2HE       LYS  12   8.808  10.095  10.095
   65   2HE   LYS  12          1HE       LYS  12   8.214  11.674  11.674
   66   1HZ   LYS  12          1HZ       LYS  12   7.642   9.156   9.156
   67   2HZ   LYS  12          3HZ       LYS  12   8.951  10.169  10.169
   68   3HZ   LYS  12          2HZ       LYS  12   7.361  10.747  10.747
   69    H    LEU  13           H        LEU  13   3.677  10.106  10.106
   70    HA   LEU  13           HA       LEU  13   2.119   7.748   7.748
   71   1HB   LEU  13          2HB       LEU  13   1.827  10.383  10.383
   72   2HB   LEU  13          1HB       LEU  13   0.691   9.067   9.067
   73    HG   LEU  13           HG       LEU  13   1.349   9.872   9.872
   74   1HD1  LEU  13          3HD1      LEU  13   0.667  11.927  11.927
   75   2HD1  LEU  13          2HD1      LEU  13  -0.811  11.104  11.104
   76   3HD1  LEU  13          1HD1      LEU  13  -0.526  11.443  11.443
   77   1HD2  LEU  13          1HD2      LEU  13   0.045   7.764   7.764
   78   2HD2  LEU  13          3HD2      LEU  13  -0.734   8.823   8.823
   79   3HD2  LEU  13          2HD2      LEU  13  -1.238   8.860   8.860
   80    H    ILE  14           H        ILE  14   4.050   9.243   9.243
   81    HA   ILE  14           HA       ILE  14   3.244   7.475   7.475
   82    HB   ILE  14           HB       ILE  14   5.822   9.046   9.046
   83   1HG1  ILE  14          2HG1      ILE  14   3.290   9.852   9.852
   84   2HG1  ILE  14          1HG1      ILE  14   3.616  10.334  10.334
   85   1HG2  ILE  14          1HG2      ILE  14   4.493   7.488   7.488
   86   2HG2  ILE  14          3HG2      ILE  14   5.318   8.982   8.982
   87   3HG2  ILE  14          2HG2      ILE  14   6.211   7.684   7.684
   88   1HD1  ILE  14          3HD1      ILE  14   5.911  11.147  11.147
   89   2HD1  ILE  14          2HD1      ILE  14   5.102  11.089  11.089
   90   3HD1  ILE  14          1HD1      ILE  14   4.480  12.136  12.136
   91    H    SER  15           H        SER  15   6.227   7.623   7.623
   92    HA   SER  15           HA       SER  15   7.392   5.269   5.269
   93   1HB   SER  15          2HB       SER  15   8.723   5.286   5.286
   94   2HB   SER  15          1HB       SER  15   8.692   6.854   6.854
   95    HG   SER  15           HG       SER  15   7.771   6.130   6.130
   96    H    GLU  16           H        GLU  16   4.969   5.793   5.793
   97    HA   GLU  16           HA       GLU  16   5.084   3.220   3.220
   98   1HB   GLU  16          2HB       GLU  16   3.922   5.275   5.275
   99   2HB   GLU  16          1HB       GLU  16   2.624   4.961   4.961
  100   1HG   GLU  16          2HG       GLU  16   2.257   2.745   2.745
  101   2HG   GLU  16          1HG       GLU  16   3.624   2.960   2.960
  102    H    GLU  17           H        GLU  17   3.118   4.578   4.578
  103    HA   GLU  17           HA       GLU  17   1.523   2.293   2.293
  104   1HB   GLU  17          2HB       GLU  17   1.308   4.727   4.727
  105   2HB   GLU  17          1HB       GLU  17   2.343   4.125   4.125
  106   1HG   GLU  17          2HG       GLU  17   0.726   2.218   2.218
  107   2HG   GLU  17          1HG       GLU  17  -0.345   3.013   3.013
  108    H    ASP  18           H        ASP  18   4.700   3.262   3.262
  109    HA   ASP  18           HA       ASP  18   4.990   1.295   1.295
  110   1HB   ASP  18          2HB       ASP  18   6.467   3.401   3.401
  111   2HB   ASP  18          1HB       ASP  18   7.358   2.223   2.223
  112    H    LEU  19           H        LEU  19   5.537   1.282   1.282
  113    HA   LEU  19           HA       LEU  19   6.991  -1.143  -1.143
  114   1HB   LEU  19          2HB       LEU  19   6.535   0.677   0.677
  115   2HB   LEU  19          1HB       LEU  19   5.092  -0.278  -0.278
  116    HG   LEU  19           HG       LEU  19   6.823  -2.290  -2.290
  117   1HD1  LEU  19          1HD1      LEU  19   8.584  -0.313  -0.313
  118   2HD1  LEU  19          3HD1      LEU  19   8.647  -0.293  -0.293
  119   3HD1  LEU  19          2HD1      LEU  19   9.029  -1.773  -1.773
  120   1HD2  LEU  19          2HD2      LEU  19   5.405  -1.522  -1.522
  121   2HD2  LEU  19          1HD2      LEU  19   6.992  -2.104  -2.104
  122   3HD2  LEU  19          3HD2      LEU  19   6.673  -0.371  -0.371
  123    H    LEU  20           H        LEU  20   3.523  -0.418  -0.418
  124    HA   LEU  20           HA       LEU  20   2.742  -3.142  -3.142
  125   1HB   LEU  20          2HB       LEU  20   1.338  -0.575  -0.575
  126   2HB   LEU  20          1HB       LEU  20   0.476  -2.070  -2.070
  127    HG   LEU  20           HG       LEU  20   1.853  -1.617  -1.617
  128   1HD1  LEU  20          3HD1      LEU  20   0.082   0.141   0.141
  129   2HD1  LEU  20          2HD1      LEU  20  -1.088  -1.178  -1.178
  130   3HD1  LEU  20          1HD1      LEU  20  -0.215  -0.829  -0.829
  131   1HD2  LEU  20          2HD2      LEU  20   1.277  -3.941  -3.941
  132   2HD2  LEU  20          1HD2      LEU  20   0.299  -3.391  -3.391
  133   3HD2  LEU  20          3HD2      LEU  20  -0.397  -3.450  -3.450
  134    H    ARG  21           H        ARG  21   3.299  -1.126  -1.126
  135    HA   ARG  21           HA       ARG  21   1.952  -2.651  -2.651
  136   1HB   ARG  21          2HB       ARG  21   4.182  -0.672  -0.672
  137   2HB   ARG  21          1HB       ARG  21   3.949  -1.672  -1.672
  138   1HG   ARG  21          2HG       ARG  21   1.826  -0.810  -0.810
  139   2HG   ARG  21          1HG       ARG  21   1.574  -0.335  -0.335
  140   1HD   ARG  21          2HD       ARG  21   1.987   1.607   1.607
  141   2HD   ARG  21          1HD       ARG  21   3.147   1.491   1.491
  142    HE   ARG  21           HE       ARG  21   4.807   1.133   1.133
  143   1HH1  ARG  21          1HH1      ARG  21   1.684   0.514   0.514
  144   2HH1  ARG  21          2HH1      ARG  21   2.337   0.303   0.303
  145   1HH2  ARG  21          1HH2      ARG  21   5.617   0.853   0.853
  146   2HH2  ARG  21          2HH2      ARG  21   4.545   0.495   0.495
  147    H    LYS  22           H        LYS  22   5.369  -2.725  -2.725
  148    HA   LYS  22           HA       LYS  22   6.131  -4.890  -4.890
  149   1HB   LYS  22          2HB       LYS  22   8.045  -5.134  -5.134
  150   2HB   LYS  22          1HB       LYS  22   7.836  -3.496  -3.496
  151   1HG   LYS  22          2HG       LYS  22   6.816  -2.752  -2.752
  152   2HG   LYS  22          1HG       LYS  22   6.616  -4.403  -4.403
  153   1HD   LYS  22          2HD       LYS  22   8.511  -3.432  -3.432
  154   2HD   LYS  22          1HD       LYS  22   9.122  -4.628  -4.628
  155   1HE   LYS  22          2HE       LYS  22  10.503  -2.691  -2.691
  156   2HE   LYS  22          1HE       LYS  22   9.415  -2.716  -2.716
  157   1HZ   LYS  22          3HZ       LYS  22   8.959  -1.156  -1.156
  158   2HZ   LYS  22          2HZ       LYS  22   9.575  -0.517  -0.517
  159   3HZ   LYS  22          1HZ       LYS  22   7.992  -1.133  -1.133
  160    H    ARG  23           H        ARG  23   4.593  -4.733  -4.733
  161    HA   ARG  23           HA       ARG  23   5.039  -7.420  -7.420
  162   1HB   ARG  23          2HB       ARG  23   4.245  -5.582  -5.582
  163   2HB   ARG  23          1HB       ARG  23   2.673  -5.675  -5.675
  164   1HG   ARG  23          2HG       ARG  23   2.528  -7.048  -7.048
  165   2HG   ARG  23          1HG       ARG  23   2.643  -8.145  -8.145
  166   1HD   ARG  23          2HD       ARG  23   4.835  -8.748  -8.748
  167   2HD   ARG  23          1HD       ARG  23   5.160  -7.254  -7.254
  168    HE   ARG  23           HE       ARG  23   4.154  -9.683  -9.683
  169   1HH1  ARG  23          1HH1      ARG  23   3.929  -6.198  -6.198
  170   2HH1  ARG  23          2HH1      ARG  23   3.478  -6.232  -6.232
  171   1HH2  ARG  23          1HH2      ARG  23   3.564  -9.680  -9.680
  172   2HH2  ARG  23          2HH2      ARG  23   3.272  -8.183  -8.183
  173    H    ARG  24           H        ARG  24   2.535  -5.843  -5.843
  174    HA   ARG  24           HA       ARG  24   0.756  -8.035  -8.035
  175   1HB   ARG  24          2HB       ARG  24   1.210  -5.546  -5.546
  176   2HB   ARG  24          1HB       ARG  24   0.187  -6.813  -6.813
  177   1HG   ARG  24          2HG       ARG  24  -1.081  -6.808  -6.808
  178   2HG   ARG  24          1HG       ARG  24  -0.189  -5.343  -5.343
  179   1HD   ARG  24          2HD       ARG  24  -1.982  -4.336  -4.336
  180   2HD   ARG  24          1HD       ARG  24  -1.034  -4.643  -4.643
  181    HE   ARG  24           HE       ARG  24  -2.746  -6.854  -6.854
  182   1HH1  ARG  24          1HH1      ARG  24  -2.664  -3.689  -3.689
  183   2HH1  ARG  24          2HH1      ARG  24  -4.022  -4.010  -4.010
  184   1HH2  ARG  24          1HH2      ARG  24  -4.512  -7.231  -7.231
  185   2HH2  ARG  24          2HH2      ARG  24  -5.062  -5.998  -5.998
  186    H    GLU  25           H        GLU  25   3.367  -6.930  -6.930
  187    HA   GLU  25           HA       GLU  25   3.081  -8.964  -8.964
  188   1HB   GLU  25          2HB       GLU  25   5.556  -7.412  -7.412
  189   2HB   GLU  25          1HB       GLU  25   5.385  -8.374  -8.374
  190   1HG   GLU  25          2HG       GLU  25   3.293  -6.318  -6.318
  191   2HG   GLU  25          1HG       GLU  25   4.872  -5.752  -5.752
  192    H    GLN  26           H        GLN  26   4.933  -8.771  -8.771
  193    HA   GLN  26           HA       GLN  26   6.409 -11.172 -11.172
  194   1HB   GLN  26          2HB       GLN  26   6.924  -9.356  -9.356
  195   2HB   GLN  26          1HB       GLN  26   5.568  -9.953  -9.953
  196   1HG   GLN  26          2HG       GLN  26   7.225 -11.235 -11.235
  197   2HG   GLN  26          1HG       GLN  26   6.839 -12.287 -12.287
  198   1HE2  GLN  26          2HE2      GLN  26  10.315 -12.110 -12.110
  199   2HE2  GLN  26          1HE2      GLN  26   9.058 -13.091 -13.091
  200    H    LEU  27           H        LEU  27   3.325 -10.436 -10.436
  201    HA   LEU  27           HA       LEU  27   2.834 -13.007 -13.007
  202   1HB   LEU  27          2HB       LEU  27   1.092 -10.670 -10.670
  203   2HB   LEU  27          1HB       LEU  27   0.352 -12.208 -12.208
  204    HG   LEU  27           HG       LEU  27   2.504 -10.959 -10.959
  205   1HD1  LEU  27          2HD1      LEU  27  -0.380 -10.232 -10.232
  206   2HD1  LEU  27          1HD1      LEU  27   0.294 -10.332 -10.332
  207   3HD1  LEU  27          3HD1      LEU  27   0.996  -9.225  -9.225
  208   1HD2  LEU  27          1HD2      LEU  27   0.420 -13.109 -13.109
  209   2HD2  LEU  27          3HD2      LEU  27   2.135 -13.166 -13.166
  210   3HD2  LEU  27          2HD2      LEU  27   1.010 -12.279 -12.279
  211    H    LYS  28           H        LYS  28   2.073 -11.543 -11.543
  212    HA   LYS  28           HA       LYS  28   0.491 -13.658 -13.658
  213   1HB   LYS  28          2HB       LYS  28   2.134 -11.507 -11.507
  214   2HB   LYS  28          1HB       LYS  28   1.229 -12.704 -12.704
  215   1HG   LYS  28          2HG       LYS  28  -0.728 -11.974 -11.974
  216   2HG   LYS  28          1HG       LYS  28   0.217 -10.488 -10.488
  217   1HD   LYS  28          2HD       LYS  28  -1.029  -9.975  -9.975
  218   2HD   LYS  28          1HD       LYS  28   0.247 -10.886 -10.886
  219   1HE   LYS  28          2HE       LYS  28  -2.231 -12.239 -12.239
  220   2HE   LYS  28          1HE       LYS  28  -2.179 -11.548 -11.548
  221   1HZ   LYS  28          3HZ       LYS  28  -0.010 -12.908 -12.908
  222   2HZ   LYS  28          2HZ       LYS  28  -0.647 -13.803 -13.803
  223   3HZ   LYS  28          1HZ       LYS  28  -1.499 -13.701 -13.701
  224    H    HIS  29           H        HIS  29   3.960 -13.069 -13.069
  225    HA   HIS  29           HA       HIS  29   4.746 -15.100 -15.100
  226   1HB   HIS  29          2HB       HIS  29   6.212 -13.896 -13.896
  227   2HB   HIS  29          1HB       HIS  29   6.951 -14.963 -14.963
  228    HD1  HIS  29           HD1      HIS  29   5.470 -13.787 -13.787
  229    HD2  HIS  29           HD2      HIS  29   7.451 -11.512 -11.512
  230    HE1  HIS  29           HE1      HIS  29   6.072 -11.592 -11.592
  231    H    LYS  30           H        LYS  30   4.010 -15.106 -15.106
  232    HA   LYS  30           HA       LYS  30   4.987 -17.706 -17.706
  233   1HB   LYS  30          2HB       LYS  30   3.123 -15.785 -15.785
  234   2HB   LYS  30          1HB       LYS  30   3.089 -17.468 -17.468
  235   1HG   LYS  30          2HG       LYS  30   5.739 -17.138 -17.138
  236   2HG   LYS  30          1HG       LYS  30   5.283 -15.453 -15.453
  237   1HD   LYS  30          2HD       LYS  30   5.360 -16.189 -16.189
  238   2HD   LYS  30          1HD       LYS  30   3.664 -16.493 -16.493
  239   1HE   LYS  30          2HE       LYS  30   4.035 -18.810 -18.810
  240   2HE   LYS  30          1HE       LYS  30   5.781 -18.597 -18.597
  241   1HZ   LYS  30          3HZ       LYS  30   5.839 -17.935 -17.935
  242   2HZ   LYS  30          2HZ       LYS  30   4.158 -18.154 -18.154
  243   3HZ   LYS  30          1HZ       LYS  30   5.173 -19.486 -19.486
  244    H    LEU  31           H        LEU  31   1.894 -16.484 -16.484
  245    HA   LEU  31           HA       LEU  31   0.570 -19.043 -19.043
  246   1HB   LEU  31          2HB       LEU  31  -0.139 -16.376 -16.376
  247   2HB   LEU  31          1HB       LEU  31  -1.119 -17.804 -17.804
  248    HG   LEU  31           HG       LEU  31  -0.387 -16.989 -16.989
  249   1HD1  LEU  31          2HD1      LEU  31  -1.720 -15.248 -15.248
  250   2HD1  LEU  31          1HD1      LEU  31  -3.057 -16.376 -16.376
  251   3HD1  LEU  31          3HD1      LEU  31  -2.283 -15.638 -15.638
  252   1HD2  LEU  31          2HD2      LEU  31  -2.236 -18.941 -18.941
  253   2HD2  LEU  31          1HD2      LEU  31  -1.211 -19.161 -19.161
  254   3HD2  LEU  31          3HD2      LEU  31  -2.716 -18.250 -18.250
  255    H    GLU  32           H        GLU  32   1.952 -17.049 -17.049
  256    HA   GLU  32           HA       GLU  32   1.624 -19.291 -19.291
  257   1HB   GLU  32          2HB       GLU  32   2.293 -16.371 -16.371
  258   2HB   GLU  32          1HB       GLU  32   2.350 -17.571 -17.571
  259   1HG   GLU  32          2HG       GLU  32  -0.086 -18.145 -18.145
  260   2HG   GLU  32          1HG       GLU  32  -0.018 -16.486 -16.486
  261    H    GLN  33           H        GLN  33   3.588 -19.365 -19.365
  262    HA   GLN  33           HA       GLN  33   6.184 -18.710 -18.710
  263   1HB   GLN  33          2HB       GLN  33   5.287 -19.533 -19.533
  264   2HB   GLN  33          1HB       GLN  33   5.771 -21.109 -21.109
  265   1HG   GLN  33          2HG       GLN  33   7.784 -20.455 -20.455
  266   2HG   GLN  33          1HG       GLN  33   7.963 -19.738 -19.738
  267   1HE2  GLN  33          2HE2      GLN  33   7.347 -17.312 -17.312
  268   2HE2  GLN  33          1HE2      GLN  33   7.084 -18.983 -18.983
  269    H    LEU  34           H        LEU  34   4.199 -21.614 -21.614
  270    HA   LEU  34           HA       LEU  34   6.226 -23.180 -23.180
  271   1HB   LEU  34          2HB       LEU  34   3.226 -23.447 -23.447
  272   2HB   LEU  34          1HB       LEU  34   4.214 -24.585 -24.585
  273    HG   LEU  34           HG       LEU  34   5.021 -23.928 -23.928
  274   1HD1  LEU  34          1HD1      LEU  34   2.612 -25.484 -25.484
  275   2HD1  LEU  34          3HD1      LEU  34   3.560 -26.090 -26.090
  276   3HD1  LEU  34          2HD1      LEU  34   2.845 -24.480 -24.480
  277   1HD2  LEU  34          3HD2      LEU  34   5.249 -26.255 -26.255
  278   2HD2  LEU  34          2HD2      LEU  34   6.544 -25.334 -25.334
  279   3HD2  LEU  34          1HD2      LEU  34   5.573 -26.450 -26.450
  280   1HN   NH2  35          1HT       LEU  34   6.623 -23.452 -23.452
  281   2HN   NH2  35          2HT       LEU  34   5.868 -22.519 -22.519
  282   1H    ACE   2          1HA       ACE   2   2.417  28.221  28.221
  283   2H    ACE   2          2HA       ACE   2   2.051  28.464  28.464
  284   3H    ACE   2          3HA       ACE   2   0.797  27.886  27.886
  285    H    CYS   3           H        CYS   3   0.388  25.971  25.971
  286    HA   CYS   3           HA       CYS   3   2.585  23.986  23.986
  287   1HB   CYS   3          2HB       CYS   3   0.518  24.563  24.563
  288   2HB   CYS   3          1HB       CYS   3   1.082  22.905  22.905
  289    H    GLY   4           H        GLY   4   2.197  22.130  22.130
  290   1HA   GLY   4          2HA       GLY   4  -0.375  21.832  21.832
  291   2HA   GLY   4          1HA       GLY   4   1.095  20.921  20.921
  292    H    GLY   5           H        GLY   5  -0.214  19.002  19.002
  293   1HA   GLY   5          2HA       GLY   5  -0.831  17.021  17.021
  294   2HA   GLY   5          1HA       GLY   5  -0.193  17.665  17.665
  295    H    MET   6           H        MET   6  -1.564  19.297  19.297
  296    HA   MET   6           HA       MET   6  -3.543  19.878  19.878
  297   1HB   MET   6          2HB       MET   6  -3.964  20.424  20.424
  298   2HB   MET   6          1HB       MET   6  -5.167  19.151  19.151
  299   1HG   MET   6          2HG       MET   6  -6.378  20.358  20.358
  300   2HG   MET   6          1HG       MET   6  -4.987  21.341  21.341
  301   1HE   MET   6          2HE       MET   6  -7.866  20.628  20.628
  302   2HE   MET   6          1HE       MET   6  -8.303  22.141  22.141
  303   3HE   MET   6          3HE       MET   6  -8.196  22.056  22.056
  304    H    ARG   7           H        ARG   7  -5.760  19.019  19.019
  305    HA   ARG   7           HA       ARG   7  -5.535  16.380  16.380
  306   1HB   ARG   7          2HB       ARG   7  -7.952  16.587  16.587
  307   2HB   ARG   7          1HB       ARG   7  -7.010  17.977  17.977
  308   1HG   ARG   7          2HG       ARG   7  -7.687  18.809  18.809
  309   2HG   ARG   7          1HG       ARG   7  -9.086  17.803  17.803
  310   1HD   ARG   7          2HD       ARG   7  -8.900  19.118  19.118
  311   2HD   ARG   7          1HD       ARG   7  -8.162  20.329  20.329
  312    HE   ARG   7           HE       ARG   7 -10.261  20.760  20.760
  313   1HH1  ARG   7          1HH1      ARG   7 -10.276  17.609  17.609
  314   2HH1  ARG   7          2HH1      ARG   7 -11.977  17.384  17.384
  315   1HH2  ARG   7          1HH2      ARG   7 -12.475  20.425  20.425
  316   2HH2  ARG   7          2HH2      ARG   7 -13.213  18.964  18.964
  317    H    ARG   8           H        ARG   8  -6.849  17.682  17.682
  318    HA   ARG   8           HA       ARG   8  -8.427  15.504  15.504
  319   1HB   ARG   8          2HB       ARG   8  -7.060  17.765  17.765
  320   2HB   ARG   8          1HB       ARG   8  -7.599  16.409  16.409
  321   1HG   ARG   8          2HG       ARG   8  -9.845  16.746  16.746
  322   2HG   ARG   8          1HG       ARG   8  -9.476  17.574  17.574
  323   1HD   ARG   8          2HD       ARG   8  -9.113  19.596  19.596
  324   2HD   ARG   8          1HD       ARG   8  -8.507  18.853  18.853
  325    HE   ARG   8           HE       ARG   8 -11.236  19.582  19.582
  326   1HH1  ARG   8          1HH1      ARG   8  -9.195  17.347  17.347
  327   2HH1  ARG   8          2HH1      ARG   8 -10.389  17.036  17.036
  328   1HH2  ARG   8          1HH2      ARG   8 -12.763  19.147  19.147
  329   2HH2  ARG   8          2HH2      ARG   8 -12.392  18.045  18.045
  330    H    LYS   9           H        LYS   9  -5.147  16.313  16.313
  331    HA   LYS   9           HA       LYS   9  -4.686  13.815  13.815
  332   1HB   LYS   9          2HB       LYS   9  -3.383  16.119  16.119
  333   2HB   LYS   9          1HB       LYS   9  -2.390  15.371  15.371
  334   1HG   LYS   9          2HG       LYS   9  -1.520  13.818  13.818
  335   2HG   LYS   9          1HG       LYS   9  -3.038  13.626  13.626
  336   1HD   LYS   9          2HD       LYS   9  -1.909  14.752  14.752
  337   2HD   LYS   9          1HD       LYS   9  -2.410  16.166  16.166
  338   1HE   LYS   9          2HE       LYS   9  -0.296  16.278  16.278
  339   2HE   LYS   9          1HE       LYS   9   0.189  14.700  14.700
  340   1HZ   LYS   9          3HZ       LYS   9   0.141  15.622  15.622
  341   2HZ   LYS   9          2HZ       LYS   9  -0.291  17.142  17.142
  342   3HZ   LYS   9          1HZ       LYS   9   1.226  16.473  16.473
  343    H    ASN  10           H        ASN  10  -4.210  14.958  14.958
  344    HA   ASN  10           HA       ASN  10  -2.582  12.771  12.771
  345   1HB   ASN  10          2HB       ASN  10  -4.073  14.986  14.986
  346   2HB   ASN  10          1HB       ASN  10  -3.625  13.589  13.589
  347   1HD2  ASN  10          2HD2      ASN  10  -0.823  16.196  16.196
  348   2HD2  ASN  10          1HD2      ASN  10  -2.489  16.402  16.402
  349    H    ASP  11           H        ASP  11  -6.028  13.370  13.370
  350    HA   ASP  11           HA       ASP  11  -6.923  11.255  11.255
  351   1HB   ASP  11          2HB       ASP  11  -8.320  13.170  13.170
  352   2HB   ASP  11          1HB       ASP  11  -8.369  12.271  12.271
  353    H    THR  12           H        THR  12  -6.230  11.442  11.442
  354    HA   THR  12           HA       THR  12  -7.040   8.808   8.808
  355    HB   THR  12           HB       THR  12  -5.438   9.139   9.139
  356    HG1  THR  12           HG1      THR  12  -4.641  11.232  11.232
  357   1HG2  THR  12          1HG2      THR  12  -7.671  11.059  11.059
  358   2HG2  THR  12          3HG2      THR  12  -6.891  11.036  11.036
  359   3HG2  THR  12          2HG2      THR  12  -7.748   9.608   9.608
  360    H    HIS  13           H        HIS  13  -4.062  10.160  10.160
  361    HA   HIS  13           HA       HIS  13  -2.359   7.954   7.954
  362   1HB   HIS  13          2HB       HIS  13  -2.349  10.298  10.298
  363   2HB   HIS  13          1HB       HIS  13  -1.269   8.953   8.953
  364    HD1  HIS  13           HD1      HIS  13  -0.243   8.064   8.064
  365    HD2  HIS  13           HD2      HIS  13  -0.819  12.102  12.102
  366    HE1  HIS  13           HE1      HIS  13   1.230   9.355   9.355
  367    H    GLN  14           H        GLN  14  -4.515   8.781   8.781
  368    HA   GLN  14           HA       GLN  14  -3.789   6.535   6.535
  369   1HB   GLN  14          2HB       GLN  14  -5.040   8.805   8.805
  370   2HB   GLN  14          1HB       GLN  14  -6.467   7.819   7.819
  371   1HG   GLN  14          2HG       GLN  14  -6.051   6.388   6.388
  372   2HG   GLN  14          1HG       GLN  14  -4.310   6.667   6.667
  373   1HE2  GLN  14          2HE2      GLN  14  -4.773   8.766   8.766
  374   2HE2  GLN  14          1HE2      GLN  14  -4.069   7.345   7.345
  375    H    GLN  15           H        GLN  15  -6.366   7.217   7.217
  376    HA   GLN  15           HA       GLN  15  -7.873   4.857   4.857
  377   1HB   GLN  15          2HB       GLN  15  -7.625   6.679   6.679
  378   2HB   GLN  15          1HB       GLN  15  -8.734   5.310   5.310
  379   1HG   GLN  15          2HG       GLN  15  -9.400   6.435   6.435
  380   2HG   GLN  15          1HG       GLN  15  -8.824   7.884   7.884
  381   1HE2  GLN  15          2HE2      GLN  15 -12.114   8.089   8.089
  382   2HE2  GLN  15          1HE2      GLN  15 -10.992   8.769   8.769
  383    H    ASP  16           H        ASP  16  -5.448   5.661   5.661
  384    HA   ASP  16           HA       ASP  16  -5.409   3.139   3.139
  385   1HB   ASP  16          2HB       ASP  16  -4.313   5.409   5.409
  386   2HB   ASP  16          1HB       ASP  16  -2.929   4.815   4.815
  387    H    ILE  17           H        ILE  17  -3.531   4.455   4.455
  388    HA   ILE  17           HA       ILE  17  -1.759   2.283   2.283
  389    HB   ILE  17           HB       ILE  17  -2.752   4.479   4.479
  390   1HG1  ILE  17          2HG1      ILE  17   0.027   3.714   3.714
  391   2HG1  ILE  17          1HG1      ILE  17  -1.018   4.858   4.858
  392   1HG2  ILE  17          2HG2      ILE  17  -1.264   2.001   2.001
  393   2HG2  ILE  17          1HG2      ILE  17  -0.807   3.537   3.537
  394   3HG2  ILE  17          3HG2      ILE  17  -2.457   2.935   2.935
  395   1HD1  ILE  17          1HD1      ILE  17  -1.185   6.037   6.037
  396   2HD1  ILE  17          3HD1      ILE  17   0.276   5.124   5.124
  397   3HD1  ILE  17          2HD1      ILE  17   0.272   6.267   6.267
  398    H    ASP  18           H        ASP  18  -4.349   3.101   3.101
  399    HA   ASP  18           HA       ASP  18  -4.532   0.751   0.751
  400   1HB   ASP  18          2HB       ASP  18  -6.425   2.951   2.951
  401   2HB   ASP  18          1HB       ASP  18  -7.164   1.444   1.444
  402    H    ASP  19           H        ASP  19  -5.878   1.450   1.450
  403    HA   ASP  19           HA       ASP  19  -7.537  -0.865  -0.865
  404   1HB   ASP  19          2HB       ASP  19  -7.745   1.170   1.170
  405   2HB   ASP  19          1HB       ASP  19  -6.263   0.668   0.668
  406    H    LEU  20           H        LEU  20  -4.209  -0.119  -0.119
  407    HA   LEU  20           HA       LEU  20  -3.653  -2.560  -2.560
  408   1HB   LEU  20          2HB       LEU  20  -1.870  -0.534  -0.534
  409   2HB   LEU  20          1HB       LEU  20  -1.242  -1.948  -1.948
  410    HG   LEU  20           HG       LEU  20  -3.207  -0.147  -0.147
  411   1HD1  LEU  20          2HD1      LEU  20  -1.452   1.346   1.346
  412   2HD1  LEU  20          1HD1      LEU  20  -0.213   0.306   0.306
  413   3HD1  LEU  20          3HD1      LEU  20  -1.322   1.189   1.189
  414   1HD2  LEU  20          2HD2      LEU  20  -1.041  -2.102  -2.102
  415   2HD2  LEU  20          1HD2      LEU  20  -2.734  -2.086  -2.086
  416   3HD2  LEU  20          3HD2      LEU  20  -1.609  -0.905  -0.905
  417    H    LYS  21           H        LYS  21  -3.555  -1.549  -1.549
  418    HA   LYS  21           HA       LYS  21  -2.144  -3.853  -3.853
  419   1HB   LYS  21          2HB       LYS  21  -2.715  -1.428  -1.428
  420   2HB   LYS  21          1HB       LYS  21  -3.953  -2.414  -2.414
  421   1HG   LYS  21          2HG       LYS  21  -1.339  -3.740  -3.740
  422   2HG   LYS  21          1HG       LYS  21  -1.290  -2.188  -2.188
  423   1HD   LYS  21          2HD       LYS  21  -3.578  -3.154  -3.154
  424   2HD   LYS  21          1HD       LYS  21  -2.755  -4.679  -4.679
  425   1HE   LYS  21          2HE       LYS  21  -0.820  -3.967  -3.967
  426   2HE   LYS  21          1HE       LYS  21  -1.524  -2.368  -2.368
  427   1HZ   LYS  21          3HZ       LYS  21  -2.852  -4.861  -4.861
  428   2HZ   LYS  21          2HZ       LYS  21  -1.805  -3.965  -3.965
  429   3HZ   LYS  21          1HZ       LYS  21  -3.244  -3.266  -3.266
  430    H    ARG  22           H        ARG  22  -5.540  -2.921  -2.921
  431    HA   ARG  22           HA       ARG  22  -6.667  -5.083  -5.083
  432   1HB   ARG  22          2HB       ARG  22  -7.681  -3.222  -3.222
  433   2HB   ARG  22          1HB       ARG  22  -8.657  -4.598  -4.598
  434   1HG   ARG  22          2HG       ARG  22  -7.460  -2.951  -2.951
  435   2HG   ARG  22          1HG       ARG  22  -8.771  -2.214  -2.214
  436   1HD   ARG  22          2HD       ARG  22 -10.071  -4.382  -4.382
  437   2HD   ARG  22          1HD       ARG  22  -8.827  -4.799  -4.799
  438    HE   ARG  22           HE       ARG  22  -9.808  -3.297  -3.297
  439   1HH1  ARG  22          1HH1      ARG  22 -10.803  -2.529  -2.529
  440   2HH1  ARG  22          2HH1      ARG  22 -11.906  -1.297  -1.297
  441   1HH2  ARG  22          1HH2      ARG  22 -11.257  -1.681  -1.681
  442   2HH2  ARG  22          2HH2      ARG  22 -12.163  -0.819  -0.819
  443    H    GLN  23           H        GLN  23  -5.731  -4.698  -4.698
  444    HA   GLN  23           HA       GLN  23  -6.813  -7.150  -7.150
  445   1HB   GLN  23          2HB       GLN  23  -4.813  -5.182  -5.182
  446   2HB   GLN  23          1HB       GLN  23  -4.821  -6.792  -6.792
  447   1HG   GLN  23          2HG       GLN  23  -7.281  -5.044  -5.044
  448   2HG   GLN  23          1HG       GLN  23  -6.321  -5.175  -5.175
  449   1HE2  GLN  23          2HE2      GLN  23  -7.556  -8.404  -8.404
  450   2HE2  GLN  23          1HE2      GLN  23  -6.346  -7.256  -7.256
  451    H    ASN  24           H        ASN  24  -3.558  -6.242  -6.242
  452    HA   ASN  24           HA       ASN  24  -2.369  -8.782  -8.782
  453   1HB   ASN  24          2HB       ASN  24  -1.696  -6.338  -6.338
  454   2HB   ASN  24          1HB       ASN  24  -0.846  -7.837  -7.837
  455   1HD2  ASN  24          2HD2      ASN  24   0.881  -5.946  -5.946
  456   2HD2  ASN  24          1HD2      ASN  24   0.325  -5.439  -5.439
  457    H    ALA  25           H        ALA  25  -4.234  -7.372  -7.372
  458    HA   ALA  25           HA       ALA  25  -3.663  -9.285  -9.285
  459   1HB   ALA  25          1HB       ALA  25  -6.051  -7.495  -7.495
  460   2HB   ALA  25          3HB       ALA  25  -5.919  -8.558  -8.558
  461   3HB   ALA  25          2HB       ALA  25  -4.736  -7.272  -7.272
  462    H    LEU  26           H        LEU  26  -6.430  -9.035  -9.035
  463    HA   LEU  26           HA       LEU  26  -7.569 -11.535 -11.535
  464   1HB   LEU  26          2HB       LEU  26  -8.380  -9.397  -9.397
  465   2HB   LEU  26          1HB       LEU  26  -8.123 -10.660 -10.660
  466    HG   LEU  26           HG       LEU  26 -10.433 -10.723 -10.723
  467   1HD1  LEU  26          3HD1      LEU  26  -9.098 -12.850 -12.850
  468   2HD1  LEU  26          2HD1      LEU  26  -8.972 -13.073 -13.073
  469   3HD1  LEU  26          1HD1      LEU  26 -10.557 -13.057 -13.057
  470   1HD2  LEU  26          1HD2      LEU  26  -9.069 -10.417 -10.417
  471   2HD2  LEU  26          3HD2      LEU  26 -10.741 -10.067 -10.067
  472   3HD2  LEU  26          2HD2      LEU  26 -10.274 -11.705 -11.705
  473    H    LEU  27           H        LEU  27  -5.189 -10.550 -10.550
  474    HA   LEU  27           HA       LEU  27  -5.152 -12.888 -12.888
  475   1HB   LEU  27          2HB       LEU  27  -3.095 -10.772 -10.772
  476   2HB   LEU  27          1HB       LEU  27  -2.706 -12.166 -12.166
  477    HG   LEU  27           HG       LEU  27  -5.167 -10.519 -10.519
  478   1HD1  LEU  27          1HD1      LEU  27  -2.323  -9.974  -9.974
  479   2HD1  LEU  27          3HD1      LEU  27  -3.743  -9.286  -9.286
  480   3HD1  LEU  27          2HD1      LEU  27  -3.389  -8.886  -8.886
  481   1HD2  LEU  27          2HD2      LEU  27  -4.482 -12.851 -12.851
  482   2HD2  LEU  27          1HD2      LEU  27  -5.135 -11.586 -11.586
  483   3HD2  LEU  27          3HD2      LEU  27  -3.396 -11.868 -11.868
  484    H    GLU  28           H        GLU  28  -3.097 -11.939 -11.939
  485    HA   GLU  28           HA       GLU  28  -1.582 -14.292 -14.292
  486   1HB   GLU  28          2HB       GLU  28  -1.083 -12.181 -12.181
  487   2HB   GLU  28          1HB       GLU  28  -2.446 -12.520 -12.520
  488   1HG   GLU  28          2HG       GLU  28  -1.340 -14.184 -14.184
  489   2HG   GLU  28          1HG       GLU  28  -0.508 -14.738 -14.738
  490    H    GLN  29           H        GLN  29  -4.657 -13.423 -13.423
  491    HA   GLN  29           HA       GLN  29  -5.002 -15.659 -15.659
  492   1HB   GLN  29          2HB       GLN  29  -6.465 -13.495 -13.495
  493   2HB   GLN  29          1HB       GLN  29  -7.353 -14.502 -14.502
  494   1HG   GLN  29          2HG       GLN  29  -7.922 -16.089 -16.089
  495   2HG   GLN  29          1HG       GLN  29  -6.704 -15.474 -15.474
  496   1HE2  GLN  29          2HE2      GLN  29  -8.905 -13.142 -13.142
  497   2HE2  GLN  29          1HE2      GLN  29  -7.440 -13.993 -13.993
  498    H    GLN  30           H        GLN  30  -5.478 -15.269 -15.269
  499    HA   GLN  30           HA       GLN  30  -6.760 -17.871 -17.871
  500   1HB   GLN  30          2HB       GLN  30  -7.349 -15.915 -15.915
  501   2HB   GLN  30          1HB       GLN  30  -5.735 -16.026 -16.026
  502   1HG   GLN  30          2HG       GLN  30  -6.244 -18.434 -18.434
  503   2HG   GLN  30          1HG       GLN  30  -7.906 -18.138 -18.138
  504   1HE2  GLN  30          2HE2      GLN  30  -8.464 -17.250 -17.250
  505   2HE2  GLN  30          1HE2      GLN  30  -8.742 -18.415 -18.415
  506    H    VAL  31           H        VAL  31  -3.622 -16.370 -16.370
  507    HA   VAL  31           HA       VAL  31  -2.395 -18.521 -18.521
  508    HB   VAL  31           HB       VAL  31  -1.086 -16.431 -16.431
  509   1HG1  VAL  31          2HG1      VAL  31  -0.051 -18.196 -18.196
  510   2HG1  VAL  31          1HG1      VAL  31   0.854 -16.854 -16.854
  511   3HG1  VAL  31          3HG1      VAL  31   0.432 -18.250 -18.250
  512   1HG2  VAL  31          1HG2      VAL  31  -2.647 -15.978 -15.978
  513   2HG2  VAL  31          3HG2      VAL  31  -1.388 -14.899 -14.899
  514   3HG2  VAL  31          2HG2      VAL  31  -1.019 -16.065 -16.065
  515    H    ARG  32           H        ARG  32  -2.876 -17.755 -17.755
  516    HA   ARG  32           HA       ARG  32  -1.058 -19.596 -19.596
  517   1HB   ARG  32          2HB       ARG  32  -3.479 -18.148 -18.148
  518   2HB   ARG  32          1HB       ARG  32  -2.937 -19.536 -19.536
  519   1HG   ARG  32          2HG       ARG  32  -0.570 -18.422 -18.422
  520   2HG   ARG  32          1HG       ARG  32  -1.500 -16.960 -16.960
  521   1HD   ARG  32          2HD       ARG  32  -2.802 -17.447 -17.447
  522   2HD   ARG  32          1HD       ARG  32  -1.611 -18.696 -18.696
  523    HE   ARG  32           HE       ARG  32  -0.313 -16.221 -16.221
  524   1HH1  ARG  32          1HH1      ARG  32  -2.199 -17.864 -17.864
  525   2HH1  ARG  32          2HH1      ARG  32  -1.507 -16.960 -16.960
  526   1HH2  ARG  32          1HH2      ARG  32   0.563 -15.064 -15.064
  527   2HH2  ARG  32          2HH2      ARG  32   0.043 -15.388 -15.388
  528    H    ALA  33           H        ALA  33  -4.440 -19.909 -19.909
  529    HA   ALA  33           HA       ALA  33  -4.809 -22.562 -22.562
  530   1HB   ALA  33          1HB       ALA  33  -6.228 -21.024 -21.024
  531   2HB   ALA  33          3HB       ALA  33  -6.749 -22.596 -22.596
  532   3HB   ALA  33          2HB       ALA  33  -6.741 -21.196 -21.196
  533    H    LEU  34           H        LEU  34  -3.607 -21.196 -21.196
  534    HA   LEU  34           HA       LEU  34  -3.364 -23.857 -23.857
  535   1HB   LEU  34          2HB       LEU  34  -3.084 -21.045 -21.045
  536   2HB   LEU  34          1HB       LEU  34  -2.336 -22.371 -22.371
  537    HG   LEU  34           HG       LEU  34  -4.604 -21.884 -21.884
  538   1HD1  LEU  34          1HD1      LEU  34  -3.541 -24.323 -24.323
  539   2HD1  LEU  34          3HD1      LEU  34  -5.014 -24.475 -24.475
  540   3HD1  LEU  34          2HD1      LEU  34  -5.115 -24.093 -24.093
  541   1HD2  LEU  34          2HD2      LEU  34  -5.290 -21.312 -21.312
  542   2HD2  LEU  34          1HD2      LEU  34  -6.479 -21.761 -21.761
  543   3HD2  LEU  34          3HD2      LEU  34  -5.882 -22.970 -22.970
  544   1HN   NH2  35          1HT       LEU  34  -1.666 -23.130 -23.130
  545   2HN   NH2  35          2HT       LEU  34  -0.063 -23.226 -23.226

  Start of MODEL    5
    1   1H    ACE   2          1HA       ACE   2   6.618  25.454  25.454
    2   2H    ACE   2          2HA       ACE   2   5.906  24.623  24.623
    3   3H    ACE   2          3HA       ACE   2   6.802  23.707  23.707
    4    H    CYS   3           H        CYS   3   4.890  26.249  26.249
    5    HA   CYS   3           HA       CYS   3   3.234  26.179  26.179
    6   1HB   CYS   3          2HB       CYS   3   1.037  25.661  25.661
    7   2HB   CYS   3          1HB       CYS   3   2.020  26.652  26.652
    8    H    GLY   4           H        GLY   4   4.941  23.890  23.890
    9   1HA   GLY   4          2HA       GLY   4   4.254  22.375  22.375
   10   2HA   GLY   4          1HA       GLY   4   3.023  21.793  21.793
   11    H    GLY   5           H        GLY   5   3.515  20.139  20.139
   12   1HA   GLY   5          2HA       GLY   5   6.161  19.660  19.660
   13   2HA   GLY   5          1HA       GLY   5   5.727  18.532  18.532
   14    H    VAL   6           H        VAL   6   4.470  19.887  19.887
   15    HA   VAL   6           HA       VAL   6   2.750  17.582  17.582
   16    HB   VAL   6           HB       VAL   6   3.369  19.845  19.845
   17   1HG1  VAL   6          3HG1      VAL   6   2.320  17.816  17.816
   18   2HG1  VAL   6          2HG1      VAL   6   1.019  17.937  17.937
   19   3HG1  VAL   6          1HG1      VAL   6   1.225  19.199  19.199
   20   1HG2  VAL   6          1HG2      VAL   6   1.511  19.619  19.619
   21   2HG2  VAL   6          3HG2      VAL   6   2.447  21.008  21.008
   22   3HG2  VAL   6          2HG2      VAL   6   0.984  20.532  20.532
   23    H    GLN   7           H        GLN   7   5.764  18.906  18.906
   24    HA   GLN   7           HA       GLN   7   6.100  17.135  17.135
   25   1HB   GLN   7          2HB       GLN   7   7.465  19.286  19.286
   26   2HB   GLN   7          1HB       GLN   7   8.501  18.049  18.049
   27   1HG   GLN   7          2HG       GLN   7   7.604  17.619  17.619
   28   2HG   GLN   7          1HG       GLN   7   8.817  18.869  18.869
   29   1HE2  GLN   7          2HE2      GLN   7  11.397  16.573  16.573
   30   2HE2  GLN   7          1HE2      GLN   7  10.933  18.205  18.205
   31    H    ALA   8           H        ALA   8   6.902  16.881  16.881
   32    HA   ALA   8           HA       ALA   8   8.317  14.378  14.378
   33   1HB   ALA   8          1HB       ALA   8   8.693  16.129  16.129
   34   2HB   ALA   8          3HB       ALA   8   7.239  15.465  15.465
   35   3HB   ALA   8          2HB       ALA   8   8.647  14.435  14.435
   36    H    GLU   9           H        GLU   9   5.136  15.429  15.429
   37    HA   GLU   9           HA       GLU   9   4.204  12.894  12.894
   38   1HB   GLU   9          2HB       GLU   9   2.927  15.494  15.494
   39   2HB   GLU   9          1HB       GLU   9   1.902  14.059  14.059
   40   1HG   GLU   9          2HG       GLU   9   3.819  14.459  14.459
   41   2HG   GLU   9          1HG       GLU   9   2.427  15.542  15.542
   42    H    GLU  10           H        GLU  10   4.020  14.602  14.602
   43    HA   GLU  10           HA       GLU  10   2.412  12.666  12.666
   44   1HB   GLU  10          2HB       GLU  10   3.075  15.141  15.141
   45   2HB   GLU  10          1HB       GLU  10   4.386  14.321  14.321
   46   1HG   GLU  10          2HG       GLU  10   2.786  12.934  12.934
   47   2HG   GLU  10          1HG       GLU  10   1.447  13.642  13.642
   48    H    GLN  11           H        GLN  11   5.877  13.078  13.078
   49    HA   GLN  11           HA       GLN  11   6.773  11.182  11.182
   50   1HB   GLN  11          2HB       GLN  11   8.110  12.911  12.911
   51   2HB   GLN  11          1HB       GLN  11   8.198  11.588  11.588
   52   1HG   GLN  11          2HG       GLN  11  10.098  11.150  11.150
   53   2HG   GLN  11          1HG       GLN  11   8.911  10.196  10.196
   54   1HE2  GLN  11          2HE2      GLN  11  10.584  13.474  13.474
   55   2HE2  GLN  11          1HE2      GLN  11  10.932  13.074  13.074
   56    H    LYS  12           H        LYS  12   5.549  10.868  10.868
   57    HA   LYS  12           HA       LYS  12   6.348   8.126   8.126
   58   1HB   LYS  12          2HB       LYS  12   5.843   9.781   9.781
   59   2HB   LYS  12          1HB       LYS  12   4.136   9.530   9.530
   60   1HG   LYS  12          2HG       LYS  12   4.393   7.112   7.112
   61   2HG   LYS  12          1HG       LYS  12   6.107   7.343   7.343
   62   1HD   LYS  12          2HD       LYS  12   4.178   9.001   9.001
   63   2HD   LYS  12          1HD       LYS  12   4.256   7.283   7.283
   64   1HE   LYS  12          2HE       LYS  12   6.782   8.900   8.900
   65   2HE   LYS  12          1HE       LYS  12   5.866   8.915   8.915
   66   1HZ   LYS  12          2HZ       LYS  12   6.003   6.497   6.497
   67   2HZ   LYS  12          1HZ       LYS  12   6.918   6.503   6.503
   68   3HZ   LYS  12          3HZ       LYS  12   7.550   7.198   7.198
   69    H    LEU  13           H        LEU  13   3.344   9.794   9.794
   70    HA   LEU  13           HA       LEU  13   1.687   7.515   7.515
   71   1HB   LEU  13          2HB       LEU  13   1.582  10.261  10.261
   72   2HB   LEU  13          1HB       LEU  13   0.438   9.031   9.031
   73    HG   LEU  13           HG       LEU  13   0.875   9.552   9.552
   74   1HD1  LEU  13          3HD1      LEU  13  -0.908  11.040  11.040
   75   2HD1  LEU  13          2HD1      LEU  13  -1.228  10.993  10.993
   76   3HD1  LEU  13          1HD1      LEU  13   0.264  11.716  11.716
   77   1HD2  LEU  13          1HD2      LEU  13  -1.396   8.426   8.426
   78   2HD2  LEU  13          3HD2      LEU  13  -0.329   7.518   7.518
   79   3HD2  LEU  13          2HD2      LEU  13  -1.474   8.678   8.678
   80    H    ILE  14           H        ILE  14   3.584   9.194   9.194
   81    HA   ILE  14           HA       ILE  14   2.862   7.477   7.477
   82    HB   ILE  14           HB       ILE  14   5.396   9.110   9.110
   83   1HG1  ILE  14          2HG1      ILE  14   2.890   9.897   9.897
   84   2HG1  ILE  14          1HG1      ILE  14   3.107  10.290  10.290
   85   1HG2  ILE  14          1HG2      ILE  14   4.043   7.777   7.777
   86   2HG2  ILE  14          3HG2      ILE  14   5.163   9.122   9.122
   87   3HG2  ILE  14          2HG2      ILE  14   5.719   7.622   7.622
   88   1HD1  ILE  14          1HD1      ILE  14   5.273  11.401  11.401
   89   2HD1  ILE  14          3HD1      ILE  14   4.921  11.110  11.110
   90   3HD1  ILE  14          2HD1      ILE  14   3.878  12.171  12.171
   91    H    SER  15           H        SER  15   5.800   7.601   7.601
   92    HA   SER  15           HA       SER  15   7.058   5.337   5.337
   93   1HB   SER  15          2HB       SER  15   8.470   5.364   5.364
   94   2HB   SER  15          1HB       SER  15   8.095   7.042   7.042
   95    HG   SER  15           HG       SER  15   7.757   5.924   5.924
   96    H    GLU  16           H        GLU  16   4.540   5.659   5.659
   97    HA   GLU  16           HA       GLU  16   4.703   2.965   2.965
   98   1HB   GLU  16          2HB       GLU  16   2.775   5.230   5.230
   99   2HB   GLU  16          1HB       GLU  16   2.229   3.603   3.603
  100   1HG   GLU  16          2HG       GLU  16   4.856   4.620   4.620
  101   2HG   GLU  16          1HG       GLU  16   3.349   5.063   5.063
  102    H    GLU  17           H        GLU  17   2.866   4.629   4.629
  103    HA   GLU  17           HA       GLU  17   1.138   2.421   2.421
  104   1HB   GLU  17          2HB       GLU  17   0.648   4.826   4.826
  105   2HB   GLU  17          1HB       GLU  17   1.876   4.712   4.712
  106   1HG   GLU  17          2HG       GLU  17  -0.192   2.569   2.569
  107   2HG   GLU  17          1HG       GLU  17  -0.714   4.167   4.167
  108    H    ASP  18           H        ASP  18   4.153   3.678   3.678
  109    HA   ASP  18           HA       ASP  18   4.327   1.914   1.914
  110   1HB   ASP  18          2HB       ASP  18   5.761   4.022   4.022
  111   2HB   ASP  18          1HB       ASP  18   6.782   2.850   2.850
  112    H    LEU  19           H        LEU  19   5.486   1.663   1.663
  113    HA   LEU  19           HA       LEU  19   6.904  -0.764  -0.764
  114   1HB   LEU  19          2HB       LEU  19   6.936   0.859   0.859
  115   2HB   LEU  19          1HB       LEU  19   5.453   0.064   0.064
  116    HG   LEU  19           HG       LEU  19   6.908  -2.129  -2.129
  117   1HD1  LEU  19          1HD1      LEU  19   8.801  -0.369  -0.369
  118   2HD1  LEU  19          3HD1      LEU  19   9.074  -0.370  -0.370
  119   3HD1  LEU  19          2HD1      LEU  19   9.199  -1.873  -1.873
  120   1HD2  LEU  19          1HD2      LEU  19   6.626  -0.318  -0.318
  121   2HD2  LEU  19          3HD2      LEU  19   6.117  -1.995  -1.995
  122   3HD2  LEU  19          2HD2      LEU  19   7.809  -1.620  -1.620
  123    H    LEU  20           H        LEU  20   3.515  -0.032  -0.032
  124    HA   LEU  20           HA       LEU  20   2.688  -2.666  -2.666
  125   1HB   LEU  20          2HB       LEU  20   1.323  -0.160  -0.160
  126   2HB   LEU  20          1HB       LEU  20   0.429  -1.675  -1.675
  127    HG   LEU  20           HG       LEU  20   1.907  -1.000  -1.000
  128   1HD1  LEU  20          3HD1      LEU  20  -0.882  -0.081  -0.081
  129   2HD1  LEU  20          2HD1      LEU  20  -0.183   0.035   0.035
  130   3HD1  LEU  20          1HD1      LEU  20   0.511   0.963   0.963
  131   1HD2  LEU  20          3HD2      LEU  20  -0.574  -2.613  -2.613
  132   2HD2  LEU  20          2HD2      LEU  20   1.013  -3.263  -3.263
  133   3HD2  LEU  20          1HD2      LEU  20   0.066  -2.395  -2.395
  134    H    ARG  21           H        ARG  21   3.103  -0.948  -0.948
  135    HA   ARG  21           HA       ARG  21   1.763  -2.767  -2.767
  136   1HB   ARG  21          2HB       ARG  21   4.149  -1.010  -1.010
  137   2HB   ARG  21          1HB       ARG  21   3.085  -1.769  -1.769
  138   1HG   ARG  21          2HG       ARG  21   1.197  -0.537  -0.537
  139   2HG   ARG  21          1HG       ARG  21   2.534   0.522   0.522
  140   1HD   ARG  21          2HD       ARG  21   2.090  -0.200  -0.200
  141   2HD   ARG  21          1HD       ARG  21   1.144   1.085   1.085
  142    HE   ARG  21           HE       ARG  21   3.853   1.554   1.554
  143   1HH1  ARG  21          1HH1      ARG  21   1.711   1.474   1.474
  144   2HH1  ARG  21          2HH1      ARG  21   2.633   2.635   2.635
  145   1HH2  ARG  21          1HH2      ARG  21   5.026   3.066   3.066
  146   2HH2  ARG  21          2HH2      ARG  21   4.494   3.530   3.530
  147    H    LYS  22           H        LYS  22   5.121  -2.592  -2.592
  148    HA   LYS  22           HA       LYS  22   5.952  -4.899  -4.899
  149   1HB   LYS  22          2HB       LYS  22   7.362  -2.884  -2.884
  150   2HB   LYS  22          1HB       LYS  22   7.487  -3.977  -3.977
  151   1HG   LYS  22          2HG       LYS  22   8.242  -5.776  -5.776
  152   2HG   LYS  22          1HG       LYS  22   8.307  -4.543  -4.543
  153   1HD   LYS  22          2HD       LYS  22   9.768  -4.225  -4.225
  154   2HD   LYS  22          1HD       LYS  22  10.504  -5.025  -5.025
  155   1HE   LYS  22          2HE       LYS  22   9.225  -2.350  -2.350
  156   2HE   LYS  22          1HE       LYS  22  10.804  -2.415  -2.415
  157   1HZ   LYS  22          2HZ       LYS  22  11.418  -3.949  -3.949
  158   2HZ   LYS  22          1HZ       LYS  22  10.050  -3.298  -3.298
  159   3HZ   LYS  22          3HZ       LYS  22  11.320  -2.279  -2.279
  160    H    ARG  23           H        ARG  23   4.784  -4.260  -4.260
  161    HA   ARG  23           HA       ARG  23   5.513  -6.698  -6.698
  162   1HB   ARG  23          2HB       ARG  23   4.461  -4.500  -4.500
  163   2HB   ARG  23          1HB       ARG  23   2.940  -5.345  -5.345
  164   1HG   ARG  23          2HG       ARG  23   5.115  -6.906  -6.906
  165   2HG   ARG  23          1HG       ARG  23   4.332  -5.659  -5.659
  166   1HD   ARG  23          2HD       ARG  23   2.111  -6.649  -6.649
  167   2HD   ARG  23          1HD       ARG  23   3.003  -7.983  -7.983
  168    HE   ARG  23           HE       ARG  23   3.303  -8.841  -8.841
  169   1HH1  ARG  23          1HH1      ARG  23   2.548  -5.432  -5.432
  170   2HH1  ARG  23          2HH1      ARG  23   2.469  -5.454  -5.454
  171   1HH2  ARG  23          1HH2      ARG  23   3.191  -8.826  -8.826
  172   2HH2  ARG  23          2HH2      ARG  23   2.830  -7.358  -7.358
  173    H    ARG  24           H        ARG  24   2.421  -5.711  -5.711
  174    HA   ARG  24           HA       ARG  24   1.124  -8.194  -8.194
  175   1HB   ARG  24          2HB       ARG  24  -0.387  -7.382  -7.382
  176   2HB   ARG  24          1HB       ARG  24  -0.110  -6.156  -6.156
  177   1HG   ARG  24          2HG       ARG  24   1.694  -5.188  -5.188
  178   2HG   ARG  24          1HG       ARG  24   1.197  -6.319  -6.319
  179   1HD   ARG  24          2HD       ARG  24  -0.840  -4.543  -4.543
  180   2HD   ARG  24          1HD       ARG  24   0.179  -3.908  -3.908
  181    HE   ARG  24           HE       ARG  24  -2.027  -5.711  -5.711
  182   1HH1  ARG  24          1HH1      ARG  24   1.108  -4.859  -4.859
  183   2HH1  ARG  24          2HH1      ARG  24   0.742  -5.461  -5.461
  184   1HH2  ARG  24          1HH2      ARG  24  -2.465  -6.482  -6.482
  185   2HH2  ARG  24          2HH2      ARG  24  -1.263  -6.373  -6.373
  186    H    GLU  25           H        GLU  25   3.180  -6.884  -6.884
  187    HA   GLU  25           HA       GLU  25   2.808  -8.950  -8.950
  188   1HB   GLU  25          2HB       GLU  25   4.906  -6.875  -6.875
  189   2HB   GLU  25          1HB       GLU  25   5.269  -8.197  -8.197
  190   1HG   GLU  25          2HG       GLU  25   2.873  -7.615  -7.615
  191   2HG   GLU  25          1HG       GLU  25   3.196  -6.045  -6.045
  192    H    GLN  26           H        GLN  26   4.951  -8.615  -8.615
  193    HA   GLN  26           HA       GLN  26   6.554 -10.912 -10.912
  194   1HB   GLN  26          2HB       GLN  26   6.887  -8.870  -8.870
  195   2HB   GLN  26          1HB       GLN  26   6.169 -10.028 -10.028
  196   1HG   GLN  26          2HG       GLN  26   7.908 -11.578 -11.578
  197   2HG   GLN  26          1HG       GLN  26   8.413 -10.873 -10.873
  198   1HE2  GLN  26          2HE2      GLN  26   9.683  -9.171  -9.171
  199   2HE2  GLN  26          1HE2      GLN  26   8.379 -10.258 -10.258
  200    H    LEU  27           H        LEU  27   3.553 -10.344 -10.344
  201    HA   LEU  27           HA       LEU  27   3.383 -12.791 -12.791
  202   1HB   LEU  27          2HB       LEU  27   1.201 -10.991 -10.991
  203   2HB   LEU  27          1HB       LEU  27   0.918 -12.354 -12.354
  204    HG   LEU  27           HG       LEU  27   2.851 -10.129 -10.129
  205   1HD1  LEU  27          1HD1      LEU  27   0.269  -9.570  -9.570
  206   2HD1  LEU  27          3HD1      LEU  27   0.133 -10.281 -10.281
  207   3HD1  LEU  27          2HD1      LEU  27   1.171  -8.879  -8.879
  208   1HD2  LEU  27          2HD2      LEU  27   1.584 -12.450 -12.450
  209   2HD2  LEU  27          1HD2      LEU  27   3.280 -11.966 -11.966
  210   3HD2  LEU  27          3HD2      LEU  27   2.121 -11.036 -11.036
  211    H    LYS  28           H        LYS  28   2.287 -11.832 -11.832
  212    HA   LYS  28           HA       LYS  28   1.020 -14.283 -14.283
  213   1HB   LYS  28          2HB       LYS  28   1.997 -11.915 -11.915
  214   2HB   LYS  28          1HB       LYS  28   1.675 -13.400 -13.400
  215   1HG   LYS  28          2HG       LYS  28  -0.598 -13.491 -13.491
  216   2HG   LYS  28          1HG       LYS  28  -0.287 -12.050 -12.050
  217   1HD   LYS  28          2HD       LYS  28  -1.445 -11.292 -11.292
  218   2HD   LYS  28          1HD       LYS  28   0.246 -10.849 -10.849
  219   1HE   LYS  28          2HE       LYS  28  -0.558 -11.843 -11.843
  220   2HE   LYS  28          1HE       LYS  28   0.555 -12.980 -12.980
  221   1HZ   LYS  28          3HZ       LYS  28  -2.322 -13.136 -13.136
  222   2HZ   LYS  28          2HZ       LYS  28  -1.722 -13.807 -13.807
  223   3HZ   LYS  28          1HZ       LYS  28  -1.148 -14.358 -14.358
  224    H    HIS  29           H        HIS  29   4.328 -13.132 -13.132
  225    HA   HIS  29           HA       HIS  29   5.299 -15.274 -15.274
  226   1HB   HIS  29          2HB       HIS  29   6.774 -13.422 -13.422
  227   2HB   HIS  29          1HB       HIS  29   7.539 -14.504 -14.504
  228    HD1  HIS  29           HD1      HIS  29   5.416 -14.006 -14.006
  229    HD2  HIS  29           HD2      HIS  29   7.427 -11.031 -11.031
  230    HE1  HIS  29           HE1      HIS  29   5.395 -11.943 -11.943
  231    H    LYS  30           H        LYS  30   4.888 -14.766 -14.766
  232    HA   LYS  30           HA       LYS  30   6.491 -16.887 -16.887
  233   1HB   LYS  30          2HB       LYS  30   4.209 -15.306 -15.306
  234   2HB   LYS  30          1HB       LYS  30   4.654 -16.805 -16.805
  235   1HG   LYS  30          2HG       LYS  30   6.975 -16.022 -16.022
  236   2HG   LYS  30          1HG       LYS  30   6.561 -14.535 -14.535
  237   1HD   LYS  30          2HD       LYS  30   6.478 -13.960 -13.960
  238   2HD   LYS  30          1HD       LYS  30   4.793 -14.169 -14.169
  239   1HE   LYS  30          2HE       LYS  30   5.250 -16.680 -16.680
  240   2HE   LYS  30          1HE       LYS  30   6.508 -15.925 -15.925
  241   1HZ   LYS  30          1HZ       LYS  30   3.701 -14.980 -14.980
  242   2HZ   LYS  30          3HZ       LYS  30   4.267 -16.148 -16.148
  243   3HZ   LYS  30          2HZ       LYS  30   4.931 -14.585 -14.585
  244    H    LEU  31           H        LEU  31   2.987 -16.750 -16.750
  245    HA   LEU  31           HA       LEU  31   2.462 -19.466 -19.466
  246   1HB   LEU  31          2HB       LEU  31   0.884 -17.339 -17.339
  247   2HB   LEU  31          1HB       LEU  31   0.830 -18.145 -18.145
  248    HG   LEU  31           HG       LEU  31  -1.003 -18.934 -18.934
  249   1HD1  LEU  31          3HD1      LEU  31   0.513 -20.499 -20.499
  250   2HD1  LEU  31          2HD1      LEU  31   0.907 -21.238 -21.238
  251   3HD1  LEU  31          1HD1      LEU  31  -0.768 -21.178 -21.178
  252   1HD2  LEU  31          3HD2      LEU  31   0.669 -18.570 -18.570
  253   2HD2  LEU  31          2HD2      LEU  31  -0.751 -19.613 -19.613
  254   3HD2  LEU  31          1HD2      LEU  31   0.841 -20.313 -20.313
  255    H    GLU  32           H        GLU  32   3.361 -17.781 -17.781
  256    HA   GLU  32           HA       GLU  32   3.086 -20.060 -20.060
  257   1HB   GLU  32          2HB       GLU  32   4.395 -17.369 -17.369
  258   2HB   GLU  32          1HB       GLU  32   4.672 -18.614 -18.614
  259   1HG   GLU  32          2HG       GLU  32   2.295 -18.804 -18.804
  260   2HG   GLU  32          1HG       GLU  32   1.923 -17.714 -17.714
  261    H    GLN  33           H        GLN  33   5.671 -18.720 -18.720
  262    HA   GLN  33           HA       GLN  33   7.551 -20.743 -20.743
  263   1HB   GLN  33          2HB       GLN  33   8.139 -18.227 -18.227
  264   2HB   GLN  33          1HB       GLN  33   8.250 -18.626 -18.626
  265   1HG   GLN  33          2HG       GLN  33   9.825 -20.497 -20.497
  266   2HG   GLN  33          1HG       GLN  33   9.824 -19.872 -19.872
  267   1HE2  GLN  33          2HE2      GLN  33  11.835 -17.844 -17.844
  268   2HE2  GLN  33          1HE2      GLN  33  10.770 -19.099 -19.099
  269    H    LEU  34           H        LEU  34   5.291 -21.452 -21.452
  270    HA   LEU  34           HA       LEU  34   4.834 -22.802 -22.802
  271   1HB   LEU  34          2HB       LEU  34   7.742 -23.272 -23.272
  272   2HB   LEU  34          1HB       LEU  34   7.062 -23.856 -23.856
  273    HG   LEU  34           HG       LEU  34   6.968 -25.592 -25.592
  274   1HD1  LEU  34          1HD1      LEU  34   5.096 -25.126 -25.126
  275   2HD1  LEU  34          3HD1      LEU  34   4.127 -24.708 -24.708
  276   3HD1  LEU  34          2HD1      LEU  34   4.824 -26.322 -26.322
  277   1HD2  LEU  34          1HD2      LEU  34   6.525 -23.603 -23.603
  278   2HD2  LEU  34          3HD2      LEU  34   6.034 -25.267 -25.267
  279   3HD2  LEU  34          2HD2      LEU  34   4.854 -24.098 -24.098
  280   1HN   NH2  35          1HT       LEU  34   5.066 -22.890 -22.890
  281   2HN   NH2  35          2HT       LEU  34   5.674 -21.523 -21.523
  282   1H    ACE   2          1HA       ACE   2  -2.195  28.901  28.901
  283   2H    ACE   2          2HA       ACE   2  -2.040  28.212  28.212
  284   3H    ACE   2          3HA       ACE   2  -3.061  27.422  27.422
  285    H    CYS   3           H        CYS   3  -1.616  25.578  25.578
  286    HA   CYS   3           HA       CYS   3   0.976  25.593  25.593
  287   1HB   CYS   3          2HB       CYS   3  -0.071  23.733  23.733
  288   2HB   CYS   3          1HB       CYS   3   1.506  23.598  23.598
  289    H    GLY   4           H        GLY   4  -1.573  25.311  25.311
  290   1HA   GLY   4          2HA       GLY   4  -2.273  24.083  24.083
  291   2HA   GLY   4          1HA       GLY   4  -0.978  22.933  22.933
  292    H    GLY   5           H        GLY   5  -2.771  21.418  21.418
  293   1HA   GLY   5          2HA       GLY   5  -4.806  20.983  20.983
  294   2HA   GLY   5          1HA       GLY   5  -4.653  20.109  20.109
  295    H    MET   6           H        MET   6  -2.770  20.639  20.639
  296    HA   MET   6           HA       MET   6  -1.287  18.246  18.246
  297   1HB   MET   6          2HB       MET   6  -0.871  18.593  18.593
  298   2HB   MET   6          1HB       MET   6  -0.581  20.046  20.046
  299   1HG   MET   6          2HG       MET   6  -2.721  20.974  20.974
  300   2HG   MET   6          1HG       MET   6  -3.188  19.471  19.471
  301   1HE   MET   6          1HE       MET   6  -3.833  21.501  21.501
  302   2HE   MET   6          3HE       MET   6  -3.058  21.650  21.650
  303   3HE   MET   6          2HE       MET   6  -2.674  22.793  22.793
  304    H    ARG   7           H        ARG   7  -4.479  18.962  18.962
  305    HA   ARG   7           HA       ARG   7  -4.773  16.409  16.409
  306   1HB   ARG   7          2HB       ARG   7  -5.964  18.619  18.619
  307   2HB   ARG   7          1HB       ARG   7  -7.039  18.250  18.250
  308   1HG   ARG   7          2HG       ARG   7  -8.201  17.124  17.124
  309   2HG   ARG   7          1HG       ARG   7  -7.044  15.849  15.849
  310   1HD   ARG   7          2HD       ARG   7  -6.276  17.918  17.918
  311   2HD   ARG   7          1HD       ARG   7  -7.405  16.655  16.655
  312    HE   ARG   7           HE       ARG   7  -5.190  15.462  15.462
  313   1HH1  ARG   7          1HH1      ARG   7  -6.001  17.150  17.150
  314   2HH1  ARG   7          2HH1      ARG   7  -4.764  16.364  16.364
  315   1HH2  ARG   7          1HH2      ARG   7  -3.593  14.461  14.461
  316   2HH2  ARG   7          2HH2      ARG   7  -3.413  14.855  14.855
  317    H    ARG   8           H        ARG   8  -5.630  17.850  17.850
  318    HA   ARG   8           HA       ARG   8  -7.434  15.858  15.858
  319   1HB   ARG   8          2HB       ARG   8  -5.789  17.972  17.972
  320   2HB   ARG   8          1HB       ARG   8  -6.484  16.700  16.700
  321   1HG   ARG   8          2HG       ARG   8  -8.706  17.195  17.195
  322   2HG   ARG   8          1HG       ARG   8  -7.933  18.662  18.662
  323   1HD   ARG   8          2HD       ARG   8  -7.372  19.249  19.249
  324   2HD   ARG   8          1HD       ARG   8  -8.346  17.875  17.875
  325    HE   ARG   8           HE       ARG   8  -9.962  19.411  19.411
  326   1HH1  ARG   8          1HH1      ARG   8  -8.277  19.806  19.806
  327   2HH1  ARG   8          2HH1      ARG   8  -9.416  20.956  20.956
  328   1HH2  ARG   8          1HH2      ARG   8 -11.424  20.913  20.913
  329   2HH2  ARG   8          2HH2      ARG   8 -11.183  21.578  21.578
  330    H    LYS   9           H        LYS   9  -3.979  16.336  16.336
  331    HA   LYS   9           HA       LYS   9  -3.656  13.915  13.915
  332   1HB   LYS   9          2HB       LYS   9  -1.796  15.867  15.867
  333   2HB   LYS   9          1HB       LYS   9  -1.164  14.299  14.299
  334   1HG   LYS   9          2HG       LYS   9  -2.548  14.913  14.913
  335   2HG   LYS   9          1HG       LYS   9  -2.203  16.549  16.549
  336   1HD   LYS   9          2HD       LYS   9   0.225  15.849  15.849
  337   2HD   LYS   9          1HD       LYS   9  -0.207  14.356  14.356
  338   1HE   LYS   9          2HE       LYS   9  -1.309  16.113  16.113
  339   2HE   LYS   9          1HE       LYS   9  -0.029  17.138  17.138
  340   1HZ   LYS   9          1HZ       LYS   9   1.436  15.076  15.076
  341   2HZ   LYS   9          3HZ       LYS   9   0.197  14.609  14.609
  342   3HZ   LYS   9          2HZ       LYS   9   1.016  16.078  16.078
  343    H    ASN  10           H        ASN  10  -3.273  14.752  14.752
  344    HA   ASN  10           HA       ASN  10  -2.144  12.273  12.273
  345   1HB   ASN  10          2HB       ASN  10  -3.527  14.529  14.529
  346   2HB   ASN  10          1HB       ASN  10  -3.159  13.033  13.033
  347   1HD2  ASN  10          2HD2      ASN  10  -0.240  15.457  15.457
  348   2HD2  ASN  10          1HD2      ASN  10  -1.896  15.655  15.655
  349    H    ASP  11           H        ASP  11  -5.425  13.427  13.427
  350    HA   ASP  11           HA       ASP  11  -6.749  11.305  11.305
  351   1HB   ASP  11          2HB       ASP  11  -7.763  13.533  13.533
  352   2HB   ASP  11          1HB       ASP  11  -7.867  12.864  12.864
  353    H    THR  12           H        THR  12  -5.849  11.836  11.836
  354    HA   THR  12           HA       THR  12  -7.030   9.490   9.490
  355    HB   THR  12           HB       THR  12  -5.296   9.793   9.793
  356    HG1  THR  12           HG1      THR  12  -3.777  11.195  11.195
  357   1HG2  THR  12          3HG2      THR  12  -7.654  10.934  10.934
  358   2HG2  THR  12          2HG2      THR  12  -6.687  12.392  12.392
  359   3HG2  THR  12          1HG2      THR  12  -6.570  11.480  11.480
  360    H    HIS  13           H        HIS  13  -3.889  10.138  10.138
  361    HA   HIS  13           HA       HIS  13  -2.651   7.676   7.676
  362   1HB   HIS  13          2HB       HIS  13  -2.189   9.709   9.709
  363   2HB   HIS  13          1HB       HIS  13  -1.251   8.217   8.217
  364    HD1  HIS  13           HD1      HIS  13  -0.368   7.794   7.794
  365    HD2  HIS  13           HD2      HIS  13  -0.897  11.694  11.694
  366    HE1  HIS  13           HE1      HIS  13   0.991   9.283   9.283
  367    H    GLN  14           H        GLN  14  -4.818   8.668   8.668
  368    HA   GLN  14           HA       GLN  14  -4.461   6.407   6.407
  369   1HB   GLN  14          2HB       GLN  14  -5.645   8.681   8.681
  370   2HB   GLN  14          1HB       GLN  14  -7.067   7.885   7.885
  371   1HG   GLN  14          2HG       GLN  14  -6.335   5.930   5.930
  372   2HG   GLN  14          1HG       GLN  14  -5.551   7.253   7.253
  373   1HE2  GLN  14          2HE2      GLN  14  -9.257   6.790   6.790
  374   2HE2  GLN  14          1HE2      GLN  14  -8.060   5.619   5.619
  375    H    GLN  15           H        GLN  15  -6.749   7.148   7.148
  376    HA   GLN  15           HA       GLN  15  -8.343   4.834   4.834
  377   1HB   GLN  15          2HB       GLN  15  -7.697   6.506   6.506
  378   2HB   GLN  15          1HB       GLN  15  -8.958   5.274   5.274
  379   1HG   GLN  15          2HG       GLN  15  -9.940   6.528   6.528
  380   2HG   GLN  15          1HG       GLN  15  -8.799   7.826   7.826
  381   1HE2  GLN  15          2HE2      GLN  15 -12.113   8.263   8.263
  382   2HE2  GLN  15          1HE2      GLN  15 -11.798   7.858   7.858
  383    H    ASP  16           H        ASP  16  -5.607   5.507   5.507
  384    HA   ASP  16           HA       ASP  16  -5.483   2.945   2.945
  385   1HB   ASP  16          2HB       ASP  16  -4.280   5.106   5.106
  386   2HB   ASP  16          1HB       ASP  16  -3.054   4.667   4.667
  387    H    ILE  17           H        ILE  17  -3.870   4.320   4.320
  388    HA   ILE  17           HA       ILE  17  -2.219   2.114   2.114
  389    HB   ILE  17           HB       ILE  17  -3.327   4.418   4.418
  390   1HG1  ILE  17          2HG1      ILE  17  -0.492   3.515   3.515
  391   2HG1  ILE  17          1HG1      ILE  17  -1.388   4.651   4.651
  392   1HG2  ILE  17          1HG2      ILE  17  -1.991   1.951   1.951
  393   2HG2  ILE  17          3HG2      ILE  17  -1.646   3.516   3.516
  394   3HG2  ILE  17          2HG2      ILE  17  -3.300   2.905   2.905
  395   1HD1  ILE  17          1HD1      ILE  17  -1.754   6.023   6.023
  396   2HD1  ILE  17          3HD1      ILE  17  -0.519   5.004   5.004
  397   3HD1  ILE  17          2HD1      ILE  17  -0.115   6.011   6.011
  398    H    ASP  18           H        ASP  18  -5.019   3.098   3.098
  399    HA   ASP  18           HA       ASP  18  -5.423   0.819   0.819
  400   1HB   ASP  18          2HB       ASP  18  -7.186   3.026   3.026
  401   2HB   ASP  18          1HB       ASP  18  -8.008   1.568   1.568
  402    H    ASP  19           H        ASP  19  -6.282   1.359   1.359
  403    HA   ASP  19           HA       ASP  19  -8.005  -0.926  -0.926
  404   1HB   ASP  19          2HB       ASP  19  -8.043   1.055   1.055
  405   2HB   ASP  19          1HB       ASP  19  -6.501   0.501   0.501
  406    H    LEU  20           H        LEU  20  -4.590  -0.260  -0.260
  407    HA   LEU  20           HA       LEU  20  -3.966  -2.770  -2.770
  408   1HB   LEU  20          2HB       LEU  20  -2.278  -0.679  -0.679
  409   2HB   LEU  20          1HB       LEU  20  -1.593  -2.152  -2.152
  410    HG   LEU  20           HG       LEU  20  -3.374  -0.342  -0.342
  411   1HD1  LEU  20          2HD1      LEU  20  -1.172   0.700   0.700
  412   2HD1  LEU  20          1HD1      LEU  20  -0.394  -0.209  -0.209
  413   3HD1  LEU  20          3HD1      LEU  20  -1.601   1.016   1.016
  414   1HD2  LEU  20          2HD2      LEU  20  -1.442  -2.592  -2.592
  415   2HD2  LEU  20          1HD2      LEU  20  -3.090  -2.393  -2.393
  416   3HD2  LEU  20          3HD2      LEU  20  -1.785  -1.421  -1.421
  417    H    LYS  21           H        LYS  21  -3.953  -1.549  -1.549
  418    HA   LYS  21           HA       LYS  21  -2.701  -3.815  -3.815
  419   1HB   LYS  21          2HB       LYS  21  -4.355  -1.536  -1.536
  420   2HB   LYS  21          1HB       LYS  21  -3.973  -2.898  -2.898
  421   1HG   LYS  21          2HG       LYS  21  -1.723  -1.742  -1.742
  422   2HG   LYS  21          1HG       LYS  21  -2.342  -0.774  -0.774
  423   1HD   LYS  21          2HD       LYS  21  -2.117  -2.812  -2.812
  424   2HD   LYS  21          1HD       LYS  21  -1.292  -3.612  -3.612
  425   1HE   LYS  21          2HE       LYS  21   0.279  -1.571  -1.571
  426   2HE   LYS  21          1HE       LYS  21  -0.402  -1.184  -1.184
  427   1HZ   LYS  21          3HZ       LYS  21   0.160  -3.592  -3.592
  428   2HZ   LYS  21          2HZ       LYS  21   1.157  -3.559  -3.559
  429   3HZ   LYS  21          1HZ       LYS  21   1.443  -2.486  -2.486
  430    H    ARG  22           H        ARG  22  -6.052  -2.947  -2.947
  431    HA   ARG  22           HA       ARG  22  -7.312  -5.008  -5.008
  432   1HB   ARG  22          2HB       ARG  22  -8.102  -3.322  -3.322
  433   2HB   ARG  22          1HB       ARG  22  -9.111  -4.684  -4.684
  434   1HG   ARG  22          2HG       ARG  22  -8.724  -3.583  -3.583
  435   2HG   ARG  22          1HG       ARG  22  -8.585  -2.132  -2.132
  436   1HD   ARG  22          2HD       ARG  22 -10.751  -2.799  -2.799
  437   2HD   ARG  22          1HD       ARG  22 -10.908  -4.070  -4.070
  438    HE   ARG  22           HE       ARG  22 -11.431  -1.275  -1.275
  439   1HH1  ARG  22          1HH1      ARG  22 -10.297  -4.180  -4.180
  440   2HH1  ARG  22          2HH1      ARG  22 -10.774  -3.639  -3.639
  441   1HH2  ARG  22          1HH2      ARG  22 -12.036  -0.609  -0.609
  442   2HH2  ARG  22          2HH2      ARG  22 -11.749  -1.634  -1.634
  443    H    GLN  23           H        GLN  23  -5.905  -4.901  -4.901
  444    HA   GLN  23           HA       GLN  23  -6.880  -7.481  -7.481
  445   1HB   GLN  23          2HB       GLN  23  -4.983  -5.466  -5.466
  446   2HB   GLN  23          1HB       GLN  23  -4.821  -7.130  -7.130
  447   1HG   GLN  23          2HG       GLN  23  -7.502  -6.869  -6.869
  448   2HG   GLN  23          1HG       GLN  23  -7.031  -5.190  -5.190
  449   1HE2  GLN  23          2HE2      GLN  23  -5.599  -7.973  -7.973
  450   2HE2  GLN  23          1HE2      GLN  23  -5.779  -8.419  -8.419
  451    H    ASN  24           H        ASN  24  -3.715  -6.251  -6.251
  452    HA   ASN  24           HA       ASN  24  -2.354  -8.717  -8.717
  453   1HB   ASN  24          2HB       ASN  24  -1.920  -6.147  -6.147
  454   2HB   ASN  24          1HB       ASN  24  -0.902  -7.552  -7.552
  455   1HD2  ASN  24          2HD2      ASN  24   0.508  -5.450  -5.450
  456   2HD2  ASN  24          1HD2      ASN  24  -0.020  -5.039  -5.039
  457    H    ALA  25           H        ALA  25  -4.441  -7.236  -7.236
  458    HA   ALA  25           HA       ALA  25  -3.799  -8.971  -8.971
  459   1HB   ALA  25          2HB       ALA  25  -6.129  -7.172  -7.172
  460   2HB   ALA  25          1HB       ALA  25  -6.160  -8.243  -8.243
  461   3HB   ALA  25          3HB       ALA  25  -4.909  -7.010  -7.010
  462    H    LEU  26           H        LEU  26  -6.081  -9.126  -9.126
  463    HA   LEU  26           HA       LEU  26  -7.418 -11.484 -11.484
  464   1HB   LEU  26          2HB       LEU  26  -8.206  -9.571  -9.571
  465   2HB   LEU  26          1HB       LEU  26  -7.630 -10.782 -10.782
  466    HG   LEU  26           HG       LEU  26 -10.020 -11.112 -11.112
  467   1HD1  LEU  26          1HD1      LEU  26  -8.179 -13.060 -13.060
  468   2HD1  LEU  26          3HD1      LEU  26  -8.795 -13.357 -13.357
  469   3HD1  LEU  26          2HD1      LEU  26  -9.891 -13.403 -13.403
  470   1HD2  LEU  26          2HD2      LEU  26  -9.639 -10.146 -10.146
  471   2HD2  LEU  26          1HD2      LEU  26 -10.929 -11.310 -11.310
  472   3HD2  LEU  26          3HD2      LEU  26  -9.407 -11.845 -11.845
  473    H    LEU  27           H        LEU  27  -4.960 -10.727 -10.727
  474    HA   LEU  27           HA       LEU  27  -4.746 -13.312 -13.312
  475   1HB   LEU  27          2HB       LEU  27  -2.630 -11.160 -11.160
  476   2HB   LEU  27          1HB       LEU  27  -2.546 -12.561 -12.561
  477    HG   LEU  27           HG       LEU  27  -4.960 -10.800 -10.800
  478   1HD1  LEU  27          3HD1      LEU  27  -2.193 -10.134 -10.134
  479   2HD1  LEU  27          2HD1      LEU  27  -3.642  -9.498  -9.498
  480   3HD1  LEU  27          1HD1      LEU  27  -3.301  -9.104  -9.104
  481   1HD2  LEU  27          1HD2      LEU  27  -4.328 -13.043 -13.043
  482   2HD2  LEU  27          3HD2      LEU  27  -5.169 -11.732 -11.732
  483   3HD2  LEU  27          2HD2      LEU  27  -3.426 -11.927 -11.927
  484    H    GLU  28           H        GLU  28  -2.806 -11.699 -11.699
  485    HA   GLU  28           HA       GLU  28  -1.093 -13.836 -13.836
  486   1HB   GLU  28          2HB       GLU  28  -0.825 -11.484 -11.484
  487   2HB   GLU  28          1HB       GLU  28  -2.139 -11.778 -11.778
  488   1HG   GLU  28          2HG       GLU  28  -0.421 -12.395 -12.395
  489   2HG   GLU  28          1HG       GLU  28  -0.590 -13.932 -13.932
  490    H    GLN  29           H        GLN  29  -4.238 -12.962 -12.962
  491    HA   GLN  29           HA       GLN  29  -4.395 -14.900 -14.900
  492   1HB   GLN  29          2HB       GLN  29  -6.031 -12.945 -12.945
  493   2HB   GLN  29          1HB       GLN  29  -6.842 -14.218 -14.218
  494   1HG   GLN  29          2HG       GLN  29  -7.342 -15.459 -15.459
  495   2HG   GLN  29          1HG       GLN  29  -6.068 -14.688 -14.688
  496   1HE2  GLN  29          2HE2      GLN  29  -8.602 -12.665 -12.665
  497   2HE2  GLN  29          1HE2      GLN  29  -7.416 -13.845 -13.845
  498    H    GLN  30           H        GLN  30  -4.902 -15.162 -15.162
  499    HA   GLN  30           HA       GLN  30  -5.960 -17.874 -17.874
  500   1HB   GLN  30          2HB       GLN  30  -6.478 -15.980 -15.980
  501   2HB   GLN  30          1HB       GLN  30  -5.099 -16.731 -16.731
  502   1HG   GLN  30          2HG       GLN  30  -6.175 -18.796 -18.796
  503   2HG   GLN  30          1HG       GLN  30  -7.298 -18.456 -18.456
  504   1HE2  GLN  30          2HE2      GLN  30  -8.856 -17.963 -17.963
  505   2HE2  GLN  30          1HE2      GLN  30  -7.838 -19.195 -19.195
  506    H    VAL  31           H        VAL  31  -2.986 -16.202 -16.202
  507    HA   VAL  31           HA       VAL  31  -1.601 -18.462 -18.462
  508    HB   VAL  31           HB       VAL  31  -0.462 -15.957 -15.957
  509   1HG1  VAL  31          2HG1      VAL  31   0.687 -18.287 -18.287
  510   2HG1  VAL  31          1HG1      VAL  31   1.298 -16.703 -16.703
  511   3HG1  VAL  31          3HG1      VAL  31   1.427 -17.229 -17.229
  512   1HG2  VAL  31          1HG2      VAL  31  -2.097 -16.117 -16.117
  513   2HG2  VAL  31          3HG2      VAL  31  -0.948 -14.823 -14.823
  514   3HG2  VAL  31          2HG2      VAL  31  -0.478 -16.176 -16.176
  515    H    ARG  32           H        ARG  32  -2.072 -17.136 -17.136
  516    HA   ARG  32           HA       ARG  32  -0.044 -18.609 -18.609
  517   1HB   ARG  32          2HB       ARG  32  -1.734 -16.634 -16.634
  518   2HB   ARG  32          1HB       ARG  32  -2.529 -18.025 -18.025
  519   1HG   ARG  32          2HG       ARG  32   0.443 -17.675 -17.675
  520   2HG   ARG  32          1HG       ARG  32  -0.655 -16.769 -16.769
  521   1HD   ARG  32          2HD       ARG  32  -1.361 -18.639 -18.639
  522   2HD   ARG  32          1HD       ARG  32  -1.228 -19.667 -19.667
  523    HE   ARG  32           HE       ARG  32   1.374 -19.017 -19.017
  524   1HH1  ARG  32          1HH1      ARG  32  -1.342 -20.575 -20.575
  525   2HH1  ARG  32          2HH1      ARG  32  -0.339 -21.579 -21.579
  526   1HH2  ARG  32          1HH2      ARG  32   2.642 -20.345 -20.345
  527   2HH2  ARG  32          2HH2      ARG  32   1.897 -21.452 -21.452
  528    H    ALA  33           H        ALA  33  -3.454 -19.268 -19.268
  529    HA   ALA  33           HA       ALA  33  -3.525 -21.747 -21.747
  530   1HB   ALA  33          3HB       ALA  33  -5.348 -20.308 -20.308
  531   2HB   ALA  33          2HB       ALA  33  -5.603 -22.037 -22.037
  532   3HB   ALA  33          1HB       ALA  33  -5.664 -20.933 -20.933
  533    H    LEU  34           H        LEU  34  -3.384 -20.915 -20.915
  534    HA   LEU  34           HA       LEU  34  -3.188 -23.563 -23.563
  535   1HB   LEU  34          2HB       LEU  34  -2.608 -20.856 -20.856
  536   2HB   LEU  34          1HB       LEU  34  -1.904 -22.243 -22.243
  537    HG   LEU  34           HG       LEU  34  -4.357 -23.222 -23.222
  538   1HD1  LEU  34          3HD1      LEU  34  -4.744 -20.213 -20.213
  539   2HD1  LEU  34          2HD1      LEU  34  -6.024 -21.382 -21.382
  540   3HD1  LEU  34          1HD1      LEU  34  -5.239 -21.354 -21.354
  541   1HD2  LEU  34          1HD2      LEU  34  -3.170 -22.795 -22.795
  542   2HD2  LEU  34          3HD2      LEU  34  -4.868 -22.334 -22.334
  543   3HD2  LEU  34          2HD2      LEU  34  -3.630 -21.095 -21.095
  544   1HN   NH2  35          1HT       LEU  34  -1.581 -24.873 -24.873
  545   2HN   NH2  35          2HT       LEU  34   0.075 -24.497 -24.497

  Start of MODEL    6
    1   1H    ACE   2          1HA       ACE   2  -1.985  25.930  25.930
    2   2H    ACE   2          2HA       ACE   2  -1.278  26.203  26.203
    3   3H    ACE   2          3HA       ACE   2  -0.410  26.709  26.709
    4    H    CYS   3           H        CYS   3   1.342  25.400  25.400
    5    HA   CYS   3           HA       CYS   3   0.976  22.494  22.494
    6   1HB   CYS   3          2HB       CYS   3   3.133  24.229  24.229
    7   2HB   CYS   3          1HB       CYS   3   3.381  22.506  22.506
    8    H    GLY   4           H        GLY   4   0.892  22.252  22.252
    9   1HA   GLY   4          2HA       GLY   4   3.192  23.171  23.171
   10   2HA   GLY   4          1HA       GLY   4   1.693  22.505  22.505
   11    H    GLY   5           H        GLY   5   4.752  21.733  21.733
   12   1HA   GLY   5          2HA       GLY   5   6.045  19.825  19.825
   13   2HA   GLY   5          1HA       GLY   5   5.149  19.354  19.354
   14    H    VAL   6           H        VAL   6   3.641  19.979  19.979
   15    HA   VAL   6           HA       VAL   6   2.399  17.381  17.381
   16    HB   VAL   6           HB       VAL   6   1.212  19.380  19.380
   17   1HG1  VAL   6          2HG1      VAL   6   3.277  19.293  19.293
   18   2HG1  VAL   6          1HG1      VAL   6   1.845  20.322  20.322
   19   3HG1  VAL   6          3HG1      VAL   6   3.114  20.560  20.560
   20   1HG2  VAL   6          3HG2      VAL   6   1.077  16.872  16.872
   21   2HG2  VAL   6          2HG2      VAL   6   0.050  18.183  18.183
   22   3HG2  VAL   6          1HG2      VAL   6   1.507  17.746  17.746
   23    H    GLN   7           H        GLN   7   5.121  18.892  18.892
   24    HA   GLN   7           HA       GLN   7   5.514  17.088  17.088
   25   1HB   GLN   7          2HB       GLN   7   7.568  18.628  18.628
   26   2HB   GLN   7          1HB       GLN   7   7.882  17.824  17.824
   27   1HG   GLN   7          2HG       GLN   7   5.657  19.841  19.841
   28   2HG   GLN   7          1HG       GLN   7   7.315  20.351  20.351
   29   1HE2  GLN   7          2HE2      GLN   7   7.308  19.145  19.145
   30   2HE2  GLN   7          1HE2      GLN   7   8.273  19.712  19.712
   31    H    ALA   8           H        ALA   8   6.418  16.931  16.931
   32    HA   ALA   8           HA       ALA   8   8.010  14.538  14.538
   33   1HB   ALA   8          2HB       ALA   8   8.450  16.189  16.189
   34   2HB   ALA   8          1HB       ALA   8   6.895  15.774  15.774
   35   3HB   ALA   8          3HB       ALA   8   8.171  14.561  14.561
   36    H    GLU   9           H        GLU   9   4.791  15.345  15.345
   37    HA   GLU   9           HA       GLU   9   4.086  12.716  12.716
   38   1HB   GLU   9          2HB       GLU   9   2.551  15.223  15.223
   39   2HB   GLU   9          1HB       GLU   9   1.682  13.701  13.701
   40   1HG   GLU   9          2HG       GLU   9   3.765  14.549  14.549
   41   2HG   GLU   9          1HG       GLU   9   2.125  15.189  15.189
   42    H    GLU  10           H        GLU  10   3.426  14.570  14.570
   43    HA   GLU  10           HA       GLU  10   1.908  12.616  12.616
   44   1HB   GLU  10          2HB       GLU  10   2.174  15.022  15.022
   45   2HB   GLU  10          1HB       GLU  10   3.776  14.603  14.603
   46   1HG   GLU  10          2HG       GLU  10   2.444  12.671  12.671
   47   2HG   GLU  10          1HG       GLU  10   1.084  13.777  13.777
   48    H    GLN  11           H        GLN  11   5.377  13.081  13.081
   49    HA   GLN  11           HA       GLN  11   6.232  11.307  11.307
   50   1HB   GLN  11          2HB       GLN  11   7.571  12.976  12.976
   51   2HB   GLN  11          1HB       GLN  11   7.779  11.528  11.528
   52   1HG   GLN  11          2HG       GLN  11   9.565  11.161  11.161
   53   2HG   GLN  11          1HG       GLN  11   8.337  10.523  10.523
   54   1HE2  GLN  11          2HE2      GLN  11   9.624  14.372  14.372
   55   2HE2  GLN  11          1HE2      GLN  11   9.487  13.832  13.832
   56    H    LYS  12           H        LYS  12   5.396  10.798  10.798
   57    HA   LYS  12           HA       LYS  12   6.181   8.087   8.087
   58   1HB   LYS  12          2HB       LYS  12   4.227   9.777   9.777
   59   2HB   LYS  12          1HB       LYS  12   4.399   8.054   8.054
   60   1HG   LYS  12          2HG       LYS  12   6.909   9.647   9.647
   61   2HG   LYS  12          1HG       LYS  12   5.912   9.898   9.898
   62   1HD   LYS  12          2HD       LYS  12   6.704   7.145   7.145
   63   2HD   LYS  12          1HD       LYS  12   7.667   8.058   8.058
   64   1HE   LYS  12          2HE       LYS  12   5.257   8.311   8.311
   65   2HE   LYS  12          1HE       LYS  12   5.002   6.774   6.774
   66   1HZ   LYS  12          2HZ       LYS  12   7.177   6.060   6.060
   67   2HZ   LYS  12          1HZ       LYS  12   7.109   7.450   7.450
   68   3HZ   LYS  12          3HZ       LYS  12   5.903   6.265   6.265
   69    H    LEU  13           H        LEU  13   3.159   9.649   9.649
   70    HA   LEU  13           HA       LEU  13   1.558   7.332   7.332
   71   1HB   LEU  13          2HB       LEU  13   1.443  10.074  10.074
   72   2HB   LEU  13          1HB       LEU  13   0.386   8.822   8.822
   73    HG   LEU  13           HG       LEU  13   0.558   9.195   9.195
   74   1HD1  LEU  13          3HD1      LEU  13   0.090  11.409  11.409
   75   2HD1  LEU  13          2HD1      LEU  13  -1.499  10.682  10.682
   76   3HD1  LEU  13          1HD1      LEU  13  -0.911  11.002  11.002
   77   1HD2  LEU  13          3HD2      LEU  13  -1.560   8.274   8.274
   78   2HD2  LEU  13          2HD2      LEU  13  -0.673   7.275   7.275
   79   3HD2  LEU  13          1HD2      LEU  13  -1.845   8.460   8.460
   80    H    ILE  14           H        ILE  14   3.564   8.998   8.998
   81    HA   ILE  14           HA       ILE  14   2.949   7.285   7.285
   82    HB   ILE  14           HB       ILE  14   5.471   8.898   8.898
   83   1HG1  ILE  14          2HG1      ILE  14   2.952   9.632   9.632
   84   2HG1  ILE  14          1HG1      ILE  14   3.316  10.191  10.191
   85   1HG2  ILE  14          1HG2      ILE  14   4.229   7.712   7.712
   86   2HG2  ILE  14          3HG2      ILE  14   5.556   8.874   8.874
   87   3HG2  ILE  14          2HG2      ILE  14   5.783   7.281   7.281
   88   1HD1  ILE  14          2HD1      ILE  14   5.041  10.676  10.676
   89   2HD1  ILE  14          1HD1      ILE  14   3.988  11.869  11.869
   90   3HD1  ILE  14          3HD1      ILE  14   5.390  11.243  11.243
   91    H    SER  15           H        SER  15   5.741   7.348   7.348
   92    HA   SER  15           HA       SER  15   7.065   5.101   5.101
   93   1HB   SER  15          2HB       SER  15   7.031   6.330   6.330
   94   2HB   SER  15          1HB       SER  15   8.023   4.927   4.927
   95    HG   SER  15           HG       SER  15   9.339   6.535   6.535
   96    H    GLU  16           H        GLU  16   4.690   5.340   5.340
   97    HA   GLU  16           HA       GLU  16   4.669   2.596   2.596
   98   1HB   GLU  16          2HB       GLU  16   2.868   4.918   4.918
   99   2HB   GLU  16          1HB       GLU  16   2.182   3.307   3.307
  100   1HG   GLU  16          2HG       GLU  16   3.112   4.050   4.050
  101   2HG   GLU  16          1HG       GLU  16   4.110   2.739   2.739
  102    H    GLU  17           H        GLU  17   2.976   4.465   4.465
  103    HA   GLU  17           HA       GLU  17   1.161   2.355   2.355
  104   1HB   GLU  17          2HB       GLU  17   0.722   4.801   4.801
  105   2HB   GLU  17          1HB       GLU  17   1.971   4.766   4.766
  106   1HG   GLU  17          2HG       GLU  17   0.579   2.692   2.692
  107   2HG   GLU  17          1HG       GLU  17  -0.729   3.469   3.469
  108    H    ASP  18           H        ASP  18   4.220   3.636   3.636
  109    HA   ASP  18           HA       ASP  18   4.366   1.997   1.997
  110   1HB   ASP  18          2HB       ASP  18   5.776   4.070   4.070
  111   2HB   ASP  18          1HB       ASP  18   6.768   2.984   2.984
  112    H    LEU  19           H        LEU  19   5.233   1.504   1.504
  113    HA   LEU  19           HA       LEU  19   6.737  -0.909  -0.909
  114   1HB   LEU  19          2HB       LEU  19   6.809   0.714   0.714
  115   2HB   LEU  19          1HB       LEU  19   5.439  -0.237  -0.237
  116    HG   LEU  19           HG       LEU  19   6.952  -2.293  -2.293
  117   1HD1  LEU  19          1HD1      LEU  19   8.812   0.041   0.041
  118   2HD1  LEU  19          3HD1      LEU  19   9.402  -1.432  -1.432
  119   3HD1  LEU  19          2HD1      LEU  19   8.842  -1.474  -1.474
  120   1HD2  LEU  19          3HD2      LEU  19   6.239  -1.346  -1.346
  121   2HD2  LEU  19          2HD2      LEU  19   7.688  -2.348  -2.348
  122   3HD2  LEU  19          1HD2      LEU  19   7.832  -0.592  -0.592
  123    H    LEU  20           H        LEU  20   3.397  -0.086  -0.086
  124    HA   LEU  20           HA       LEU  20   2.565  -2.767  -2.767
  125   1HB   LEU  20          2HB       LEU  20   1.197  -0.156  -0.156
  126   2HB   LEU  20          1HB       LEU  20   0.247  -1.635  -1.635
  127    HG   LEU  20           HG       LEU  20   2.013  -1.075  -1.075
  128   1HD1  LEU  20          3HD1      LEU  20   0.139   0.661   0.661
  129   2HD1  LEU  20          2HD1      LEU  20  -0.973  -0.648  -0.648
  130   3HD1  LEU  20          1HD1      LEU  20   0.195  -0.089  -0.089
  131   1HD2  LEU  20          1HD2      LEU  20  -0.338  -2.927  -2.927
  132   2HD2  LEU  20          3HD2      LEU  20   1.350  -3.408  -3.408
  133   3HD2  LEU  20          2HD2      LEU  20   0.468  -2.737  -2.737
  134    H    ARG  21           H        ARG  21   2.381  -0.676  -0.676
  135    HA   ARG  21           HA       ARG  21   0.933  -2.447  -2.447
  136   1HB   ARG  21          2HB       ARG  21   1.862  -1.142  -1.142
  137   2HB   ARG  21          1HB       ARG  21   1.234  -0.103  -0.103
  138   1HG   ARG  21          2HG       ARG  21   3.483   0.249   0.249
  139   2HG   ARG  21          1HG       ARG  21   4.147  -0.875  -0.875
  140   1HD   ARG  21          2HD       ARG  21   2.827   1.791   1.791
  141   2HD   ARG  21          1HD       ARG  21   4.504   1.353   1.353
  142    HE   ARG  21           HE       ARG  21   2.240   0.749   0.749
  143   1HH1  ARG  21          1HH1      ARG  21   5.463  -0.244  -0.244
  144   2HH1  ARG  21          2HH1      ARG  21   5.762  -1.076  -1.076
  145   1HH2  ARG  21          1HH2      ARG  21   2.672  -0.346  -0.346
  146   2HH2  ARG  21          2HH2      ARG  21   4.196  -1.134  -1.134
  147    H    LYS  22           H        LYS  22   4.348  -2.220  -2.220
  148    HA   LYS  22           HA       LYS  22   5.276  -3.989  -3.989
  149   1HB   LYS  22          2HB       LYS  22   6.550  -2.331  -2.331
  150   2HB   LYS  22          1HB       LYS  22   6.752  -3.844  -3.844
  151   1HG   LYS  22          2HG       LYS  22   7.483  -4.822  -4.822
  152   2HG   LYS  22          1HG       LYS  22   7.715  -3.134  -3.134
  153   1HD   LYS  22          2HD       LYS  22   9.205  -2.819  -2.819
  154   2HD   LYS  22          1HD       LYS  22   9.002  -4.522  -4.522
  155   1HE   LYS  22          2HE       LYS  22  11.002  -4.527  -4.527
  156   2HE   LYS  22          1HE       LYS  22   9.798  -4.964  -4.964
  157   1HZ   LYS  22          1HZ       LYS  22   9.658  -2.464  -2.464
  158   2HZ   LYS  22          3HZ       LYS  22  11.129  -2.364  -2.364
  159   3HZ   LYS  22          2HZ       LYS  22  11.024  -3.289  -3.289
  160    H    ARG  23           H        ARG  23   4.207  -4.407  -4.407
  161    HA   ARG  23           HA       ARG  23   4.882  -7.180  -7.180
  162   1HB   ARG  23          2HB       ARG  23   3.256  -5.268  -5.268
  163   2HB   ARG  23          1HB       ARG  23   3.011  -6.996  -6.996
  164   1HG   ARG  23          2HG       ARG  23   5.771  -5.769  -5.769
  165   2HG   ARG  23          1HG       ARG  23   4.807  -5.861  -5.861
  166   1HD   ARG  23          2HD       ARG  23   5.116  -8.335  -8.335
  167   2HD   ARG  23          1HD       ARG  23   6.476  -7.817  -7.817
  168    HE   ARG  23           HE       ARG  23   4.112  -7.802  -7.802
  169   1HH1  ARG  23          1HH1      ARG  23   6.345 -10.021 -10.021
  170   2HH1  ARG  23          2HH1      ARG  23   6.051 -11.283 -11.283
  171   1HH2  ARG  23          1HH2      ARG  23   3.758  -9.474  -9.474
  172   2HH2  ARG  23          2HH2      ARG  23   4.599 -10.978 -10.978
  173    H    ARG  24           H        ARG  24   2.081  -5.369  -5.369
  174    HA   ARG  24           HA       ARG  24   0.188  -7.458  -7.458
  175   1HB   ARG  24          2HB       ARG  24  -0.084  -4.880  -4.880
  176   2HB   ARG  24          1HB       ARG  24   0.194  -5.328  -5.328
  177   1HG   ARG  24          2HG       ARG  24  -1.605  -7.228  -7.228
  178   2HG   ARG  24          1HG       ARG  24  -2.117  -5.943  -5.943
  179   1HD   ARG  24          2HD       ARG  24  -2.195  -4.375  -4.375
  180   2HD   ARG  24          1HD       ARG  24  -1.788  -5.712  -5.712
  181    HE   ARG  24           HE       ARG  24  -4.116  -6.225  -6.225
  182   1HH1  ARG  24          1HH1      ARG  24  -2.950  -4.770  -4.770
  183   2HH1  ARG  24          2HH1      ARG  24  -4.481  -4.887  -4.887
  184   1HH2  ARG  24          1HH2      ARG  24  -6.093  -6.359  -6.359
  185   2HH2  ARG  24          2HH2      ARG  24  -6.248  -5.781  -5.781
  186    H    GLU  25           H        GLU  25   2.169  -6.139  -6.139
  187    HA   GLU  25           HA       GLU  25   1.467  -8.105  -8.105
  188   1HB   GLU  25          2HB       GLU  25   2.769  -5.820  -5.820
  189   2HB   GLU  25          1HB       GLU  25   4.186  -6.854  -6.854
  190   1HG   GLU  25          2HG       GLU  25   3.668  -8.129  -8.129
  191   2HG   GLU  25          1HG       GLU  25   2.002  -7.551  -7.551
  192    H    GLN  26           H        GLN  26   3.973  -7.973  -7.973
  193    HA   GLN  26           HA       GLN  26   5.412 -10.279 -10.279
  194   1HB   GLN  26          2HB       GLN  26   6.226  -8.449  -8.449
  195   2HB   GLN  26          1HB       GLN  26   5.304  -9.295  -9.295
  196   1HG   GLN  26          2HG       GLN  26   6.606 -11.270 -11.270
  197   2HG   GLN  26          1HG       GLN  26   7.304 -10.732 -10.732
  198   1HE2  GLN  26          2HE2      GLN  26   9.387  -8.236  -8.236
  199   2HE2  GLN  26          1HE2      GLN  26   8.300  -8.264  -8.264
  200    H    LEU  27           H        LEU  27   2.916  -9.735  -9.735
  201    HA   LEU  27           HA       LEU  27   2.793 -12.408 -12.408
  202   1HB   LEU  27          2HB       LEU  27   0.743 -10.185 -10.185
  203   2HB   LEU  27          1HB       LEU  27   0.507 -11.740 -11.740
  204    HG   LEU  27           HG       LEU  27   3.032 -10.223 -10.223
  205   1HD1  LEU  27          3HD1      LEU  27   1.021  -8.648  -8.648
  206   2HD1  LEU  27          2HD1      LEU  27   0.467  -9.691  -9.691
  207   3HD1  LEU  27          1HD1      LEU  27   2.006  -8.841  -8.841
  208   1HD2  LEU  27          2HD2      LEU  27   1.242 -12.193 -12.193
  209   2HD2  LEU  27          1HD2      LEU  27   2.957 -12.339 -12.339
  210   3HD2  LEU  27          3HD2      LEU  27   2.427 -11.245 -11.245
  211    H    LYS  28           H        LYS  28   1.074 -10.661 -10.661
  212    HA   LYS  28           HA       LYS  28  -0.702 -12.806 -12.806
  213   1HB   LYS  28          2HB       LYS  28  -1.110 -10.392 -10.392
  214   2HB   LYS  28          1HB       LYS  28   0.159 -10.518 -10.518
  215   1HG   LYS  28          2HG       LYS  28  -1.129 -11.768 -11.768
  216   2HG   LYS  28          1HG       LYS  28  -1.909 -12.640 -12.640
  217   1HD   LYS  28          2HD       LYS  28  -2.507  -9.723  -9.723
  218   2HD   LYS  28          1HD       LYS  28  -3.287 -10.896 -10.896
  219   1HE   LYS  28          2HE       LYS  28  -4.489 -11.867 -11.867
  220   2HE   LYS  28          1HE       LYS  28  -3.286 -11.446 -11.446
  221   1HZ   LYS  28          2HZ       LYS  28  -5.055  -9.497  -9.497
  222   2HZ   LYS  28          1HZ       LYS  28  -5.332 -10.127 -10.127
  223   3HZ   LYS  28          3HZ       LYS  28  -3.968  -9.163  -9.163
  224    H    HIS  29           H        HIS  29   2.509 -11.833 -11.833
  225    HA   HIS  29           HA       HIS  29   2.705 -13.402 -13.402
  226   1HB   HIS  29          2HB       HIS  29   4.639 -12.106 -12.106
  227   2HB   HIS  29          1HB       HIS  29   5.259 -13.363 -13.363
  228    HD1  HIS  29           HD1      HIS  29   3.614 -12.861 -12.861
  229    HD2  HIS  29           HD2      HIS  29   5.334  -9.787  -9.787
  230    HE1  HIS  29           HE1      HIS  29   3.842 -10.884 -10.884
  231    H    LYS  30           H        LYS  30   3.358 -14.098 -14.098
  232    HA   LYS  30           HA       LYS  30   4.487 -16.676 -16.676
  233   1HB   LYS  30          2HB       LYS  30   4.640 -15.297 -15.297
  234   2HB   LYS  30          1HB       LYS  30   2.968 -15.752 -15.752
  235   1HG   LYS  30          2HG       LYS  30   3.500 -18.010 -18.010
  236   2HG   LYS  30          1HG       LYS  30   4.992 -17.881 -17.881
  237   1HD   LYS  30          2HD       LYS  30   4.587 -16.463 -16.463
  238   2HD   LYS  30          1HD       LYS  30   5.298 -18.073 -18.073
  239   1HE   LYS  30          2HE       LYS  30   6.979 -17.103 -17.103
  240   2HE   LYS  30          1HE       LYS  30   6.354 -15.507 -15.507
  241   1HZ   LYS  30          1HZ       LYS  30   6.809 -16.136 -16.136
  242   2HZ   LYS  30          3HZ       LYS  30   7.683 -17.462 -17.462
  243   3HZ   LYS  30          2HZ       LYS  30   8.179 -15.881 -15.881
  244    H    LEU  31           H        LEU  31   1.196 -15.584 -15.584
  245    HA   LEU  31           HA       LEU  31   0.070 -18.209 -18.209
  246   1HB   LEU  31          2HB       LEU  31  -0.823 -15.804 -15.804
  247   2HB   LEU  31          1HB       LEU  31  -1.681 -15.914 -15.914
  248    HG   LEU  31           HG       LEU  31  -1.657 -18.268 -18.268
  249   1HD1  LEU  31          2HD1      LEU  31  -3.529 -15.885 -15.885
  250   2HD1  LEU  31          1HD1      LEU  31  -3.750 -17.400 -17.400
  251   3HD1  LEU  31          3HD1      LEU  31  -2.371 -16.364 -16.364
  252   1HD2  LEU  31          2HD2      LEU  31  -3.532 -17.178 -17.178
  253   2HD2  LEU  31          1HD2      LEU  31  -2.561 -18.647 -18.647
  254   3HD2  LEU  31          3HD2      LEU  31  -3.922 -18.558 -18.558
  255    H    GLU  32           H        GLU  32   0.369 -15.689 -15.689
  256    HA   GLU  32           HA       GLU  32  -1.255 -16.873 -16.873
  257   1HB   GLU  32          2HB       GLU  32  -0.353 -14.512 -14.512
  258   2HB   GLU  32          1HB       GLU  32   1.203 -15.185 -15.185
  259   1HG   GLU  32          2HG       GLU  32  -0.001 -14.510 -14.510
  260   2HG   GLU  32          1HG       GLU  32   0.060 -16.272 -16.272
  261    H    GLN  33           H        GLN  33   2.140 -17.293 -17.293
  262    HA   GLN  33           HA       GLN  33   2.470 -19.250 -19.250
  263   1HB   GLN  33          2HB       GLN  33   4.531 -18.115 -18.115
  264   2HB   GLN  33          1HB       GLN  33   4.857 -19.153 -19.153
  265   1HG   GLN  33          2HG       GLN  33   3.269 -16.689 -16.689
  266   2HG   GLN  33          1HG       GLN  33   4.980 -16.468 -16.468
  267   1HE2  GLN  33          2HE2      GLN  33   4.432 -17.122 -17.122
  268   2HE2  GLN  33          1HE2      GLN  33   3.692 -16.040 -16.040
  269    H    LEU  34           H        LEU  34   0.836 -19.764 -19.764
  270    HA   LEU  34           HA       LEU  34   0.451 -21.474 -21.474
  271   1HB   LEU  34          2HB       LEU  34   2.307 -22.656 -22.656
  272   2HB   LEU  34          1HB       LEU  34   2.110 -23.533 -23.533
  273    HG   LEU  34           HG       LEU  34  -0.426 -23.233 -23.233
  274   1HD1  LEU  34          3HD1      LEU  34   0.247 -21.569 -21.569
  275   2HD1  LEU  34          2HD1      LEU  34   0.238 -23.066 -23.066
  276   3HD1  LEU  34          1HD1      LEU  34  -1.218 -22.548 -22.548
  277   1HD2  LEU  34          2HD2      LEU  34   1.093 -25.316 -25.316
  278   2HD2  LEU  34          1HD2      LEU  34  -0.525 -25.302 -25.302
  279   3HD2  LEU  34          3HD2      LEU  34   0.873 -24.932 -24.932
  280   1HN   NH2  35          1HT       LEU  34   1.178 -20.506 -20.506
  281   2HN   NH2  35          2HT       LEU  34   2.733 -20.769 -20.769
  282   1H    ACE   2          1HA       ACE   2  -1.895  24.868  24.868
  283   2H    ACE   2          2HA       ACE   2  -1.331  24.677  24.677
  284   3H    ACE   2          3HA       ACE   2  -1.790  23.259  23.259
  285    H    CYS   3           H        CYS   3  -0.228  22.202  22.202
  286    HA   CYS   3           HA       CYS   3   2.235  23.614  23.614
  287   1HB   CYS   3          2HB       CYS   3   2.091  21.187  21.187
  288   2HB   CYS   3          1HB       CYS   3   3.545  21.610  21.610
  289    H    GLY   4           H        GLY   4  -0.035  22.571  22.571
  290   1HA   GLY   4          2HA       GLY   4  -0.193  21.620  21.620
  291   2HA   GLY   4          1HA       GLY   4   1.442  20.990  20.990
  292    H    GLY   5           H        GLY   5  -1.950  20.436  20.436
  293   1HA   GLY   5          2HA       GLY   5  -3.139  18.506  18.506
  294   2HA   GLY   5          1HA       GLY   5  -1.736  17.623  17.623
  295    H    MET   6           H        MET   6  -2.314  19.720  19.720
  296    HA   MET   6           HA       MET   6  -0.691  18.126  18.126
  297   1HB   MET   6          2HB       MET   6  -1.174  20.580  20.580
  298   2HB   MET   6          1HB       MET   6  -2.799  20.130  20.130
  299   1HG   MET   6          2HG       MET   6  -0.520  18.718  18.718
  300   2HG   MET   6          1HG       MET   6  -0.778  20.405  20.405
  301   1HE   MET   6          3HE       MET   6  -1.123  20.032  20.032
  302   2HE   MET   6          2HE       MET   6  -2.476  21.095  21.095
  303   3HE   MET   6          1HE       MET   6  -2.715  19.731  19.731
  304    H    ARG   7           H        ARG   7  -4.183  18.824  18.824
  305    HA   ARG   7           HA       ARG   7  -4.604  16.447  16.447
  306   1HB   ARG   7          2HB       ARG   7  -5.851  18.808  18.808
  307   2HB   ARG   7          1HB       ARG   7  -6.903  17.978  17.978
  308   1HG   ARG   7          2HG       ARG   7  -6.141  16.466  16.466
  309   2HG   ARG   7          1HG       ARG   7  -7.265  17.810  17.810
  310   1HD   ARG   7          2HD       ARG   7  -7.741  15.876  15.876
  311   2HD   ARG   7          1HD       ARG   7  -8.157  15.389  15.389
  312    HE   ARG   7           HE       ARG   7  -9.603  17.232  17.232
  313   1HH1  ARG   7          1HH1      ARG   7  -8.625  16.627  16.627
  314   2HH1  ARG   7          2HH1      ARG   7  -9.972  17.477  17.477
  315   1HH2  ARG   7          1HH2      ARG   7 -11.344  18.333  18.333
  316   2HH2  ARG   7          2HH2      ARG   7 -11.500  18.435  18.435
  317    H    ARG   8           H        ARG   8  -5.045  17.444  17.444
  318    HA   ARG   8           HA       ARG   8  -6.868  15.491  15.491
  319   1HB   ARG   8          2HB       ARG   8  -5.675  17.551  17.551
  320   2HB   ARG   8          1HB       ARG   8  -4.650  16.246  16.246
  321   1HG   ARG   8          2HG       ARG   8  -6.290  16.055  16.055
  322   2HG   ARG   8          1HG       ARG   8  -7.095  15.112  15.112
  323   1HD   ARG   8          2HD       ARG   8  -7.854  17.595  17.595
  324   2HD   ARG   8          1HD       ARG   8  -7.685  17.851  17.851
  325    HE   ARG   8           HE       ARG   8  -9.718  16.282  16.282
  326   1HH1  ARG   8          1HH1      ARG   8  -7.921  16.737  16.737
  327   2HH1  ARG   8          2HH1      ARG   8  -9.145  16.014  16.014
  328   1HH2  ARG   8          1HH2      ARG   8 -11.288  15.346  15.346
  329   2HH2  ARG   8          2HH2      ARG   8 -11.035  15.233  15.233
  330    H    LYS   9           H        LYS   9  -3.314  15.428  15.428
  331    HA   LYS   9           HA       LYS   9  -3.143  12.733  12.733
  332   1HB   LYS   9          2HB       LYS   9  -1.139  14.587  14.587
  333   2HB   LYS   9          1HB       LYS   9  -0.737  12.938  12.938
  334   1HG   LYS   9          2HG       LYS   9  -1.820  13.663  13.663
  335   2HG   LYS   9          1HG       LYS   9  -1.455  15.290  15.290
  336   1HD   LYS   9          2HD       LYS   9   0.808  14.994  14.994
  337   2HD   LYS   9          1HD       LYS   9   0.724  13.292  13.292
  338   1HE   LYS   9          2HE       LYS   9  -0.546  13.128  13.128
  339   2HE   LYS   9          1HE       LYS   9   0.446  14.546  14.546
  340   1HZ   LYS   9          2HZ       LYS   9   2.355  13.171  13.171
  341   2HZ   LYS   9          1HZ       LYS   9   1.328  11.827  11.827
  342   3HZ   LYS   9          3HZ       LYS   9   1.754  12.731  12.731
  343    H    ASN  10           H        ASN  10  -3.107  14.280  14.280
  344    HA   ASN  10           HA       ASN  10  -2.336  12.041  12.041
  345   1HB   ASN  10          2HB       ASN  10  -3.762  14.602  14.602
  346   2HB   ASN  10          1HB       ASN  10  -3.858  13.319  13.319
  347   1HD2  ASN  10          2HD2      ASN  10  -0.629  15.533  15.533
  348   2HD2  ASN  10          1HD2      ASN  10  -2.173  16.014  16.014
  349    H    ASP  11           H        ASP  11  -5.418  13.042  13.042
  350    HA   ASP  11           HA       ASP  11  -7.002  11.167  11.167
  351   1HB   ASP  11          2HB       ASP  11  -7.767  13.333  13.333
  352   2HB   ASP  11          1HB       ASP  11  -7.822  12.308  12.308
  353    H    THR  12           H        THR  12  -5.429  11.202  11.202
  354    HA   THR  12           HA       THR  12  -6.555   8.717   8.717
  355    HB   THR  12           HB       THR  12  -3.950   9.729   9.729
  356    HG1  THR  12           HG1      THR  12  -4.790  11.533  11.533
  357   1HG2  THR  12          2HG2      THR  12  -6.461   8.458   8.458
  358   2HG2  THR  12          1HG2      THR  12  -5.260   9.194   9.194
  359   3HG2  THR  12          3HG2      THR  12  -4.814   7.830   7.830
  360    H    HIS  13           H        HIS  13  -3.598   9.699   9.699
  361    HA   HIS  13           HA       HIS  13  -2.199   7.254   7.254
  362   1HB   HIS  13          2HB       HIS  13  -2.104   9.487   9.487
  363   2HB   HIS  13          1HB       HIS  13  -1.034   8.087   8.087
  364    HD1  HIS  13           HD1      HIS  13  -0.225   7.662   7.662
  365    HD2  HIS  13           HD2      HIS  13  -0.582  11.484  11.484
  366    HE1  HIS  13           HE1      HIS  13   1.192   9.190   9.190
  367    H    GLN  14           H        GLN  14  -4.643   8.431   8.431
  368    HA   GLN  14           HA       GLN  14  -4.401   6.322   6.322
  369   1HB   GLN  14          2HB       GLN  14  -6.601   8.291   8.291
  370   2HB   GLN  14          1HB       GLN  14  -6.758   7.068   7.068
  371   1HG   GLN  14          2HG       GLN  14  -4.334   8.850   8.850
  372   2HG   GLN  14          1HG       GLN  14  -5.833   9.424   9.424
  373   1HE2  GLN  14          2HE2      GLN  14  -4.825   7.866   7.866
  374   2HE2  GLN  14          1HE2      GLN  14  -5.293   9.302   9.302
  375    H    GLN  15           H        GLN  15  -6.604   6.882   6.882
  376    HA   GLN  15           HA       GLN  15  -8.155   4.549   4.549
  377   1HB   GLN  15          2HB       GLN  15  -8.551   6.593   6.593
  378   2HB   GLN  15          1HB       GLN  15  -7.546   5.716   5.716
  379   1HG   GLN  15          2HG       GLN  15  -9.568   4.808   4.808
  380   2HG   GLN  15          1HG       GLN  15  -9.194   3.716   3.716
  381   1HE2  GLN  15          1HE2      GLN  15 -11.723   5.431   5.431
  382   2HE2  GLN  15          2HE2      GLN  15 -12.519   5.826   5.826
  383    H    ASP  16           H        ASP  16  -5.334   5.178   5.178
  384    HA   ASP  16           HA       ASP  16  -5.154   2.588   2.588
  385   1HB   ASP  16          2HB       ASP  16  -3.896   4.818   4.818
  386   2HB   ASP  16          1HB       ASP  16  -2.686   4.209   4.209
  387    H    ILE  17           H        ILE  17  -3.631   4.037   4.037
  388    HA   ILE  17           HA       ILE  17  -2.021   1.845   1.845
  389    HB   ILE  17           HB       ILE  17  -3.187   4.190   4.190
  390   1HG1  ILE  17          2HG1      ILE  17  -0.314   3.310   3.310
  391   2HG1  ILE  17          1HG1      ILE  17  -1.150   4.277   4.277
  392   1HG2  ILE  17          1HG2      ILE  17  -2.014   1.714   1.714
  393   2HG2  ILE  17          3HG2      ILE  17  -1.497   3.262   3.262
  394   3HG2  ILE  17          2HG2      ILE  17  -3.206   2.830   2.830
  395   1HD1  ILE  17          3HD1      ILE  17  -1.247   5.163   5.163
  396   2HD1  ILE  17          2HD1      ILE  17   0.222   5.457   5.457
  397   3HD1  ILE  17          1HD1      ILE  17  -1.315   6.132   6.132
  398    H    ASP  18           H        ASP  18  -4.913   2.877   2.877
  399    HA   ASP  18           HA       ASP  18  -5.364   0.645   0.645
  400   1HB   ASP  18          2HB       ASP  18  -7.111   2.791   2.791
  401   2HB   ASP  18          1HB       ASP  18  -7.937   1.347   1.347
  402    H    ASP  19           H        ASP  19  -6.076   1.067   1.067
  403    HA   ASP  19           HA       ASP  19  -7.759  -1.243  -1.243
  404   1HB   ASP  19          2HB       ASP  19  -7.701   0.679   0.679
  405   2HB   ASP  19          1HB       ASP  19  -6.116   0.113   0.113
  406    H    LEU  20           H        LEU  20  -4.324  -0.558  -0.558
  407    HA   LEU  20           HA       LEU  20  -3.630  -3.156  -3.156
  408   1HB   LEU  20          2HB       LEU  20  -1.970  -0.950  -0.950
  409   2HB   LEU  20          1HB       LEU  20  -1.289  -2.432  -2.432
  410    HG   LEU  20           HG       LEU  20  -3.148  -0.706  -0.706
  411   1HD1  LEU  20          3HD1      LEU  20  -0.233  -0.311  -0.311
  412   2HD1  LEU  20          2HD1      LEU  20  -0.853   0.107   0.107
  413   3HD1  LEU  20          1HD1      LEU  20  -1.508   0.895   0.895
  414   1HD2  LEU  20          1HD2      LEU  20  -0.973  -2.726  -2.726
  415   2HD2  LEU  20          3HD2      LEU  20  -2.707  -2.927  -2.927
  416   3HD2  LEU  20          2HD2      LEU  20  -1.803  -1.768  -1.768
  417    H    LYS  21           H        LYS  21  -3.662  -1.597  -1.597
  418    HA   LYS  21           HA       LYS  21  -2.348  -3.625  -3.625
  419   1HB   LYS  21          2HB       LYS  21  -2.832  -1.299  -1.299
  420   2HB   LYS  21          1HB       LYS  21  -4.515  -1.787  -1.787
  421   1HG   LYS  21          2HG       LYS  21  -3.979  -3.351  -3.351
  422   2HG   LYS  21          1HG       LYS  21  -2.274  -3.386  -3.386
  423   1HD   LYS  21          2HD       LYS  21  -3.619  -0.893  -0.893
  424   2HD   LYS  21          1HD       LYS  21  -2.836  -2.067  -2.067
  425   1HE   LYS  21          2HE       LYS  21  -0.733  -1.484  -1.484
  426   2HE   LYS  21          1HE       LYS  21  -1.247  -1.176  -1.176
  427   1HZ   LYS  21          2HZ       LYS  21  -1.990   0.594   0.594
  428   2HZ   LYS  21          1HZ       LYS  21  -0.575   0.824   0.824
  429   3HZ   LYS  21          3HZ       LYS  21  -2.091   0.920   0.920
  430    H    ARG  22           H        ARG  22  -5.777  -3.070  -3.070
  431    HA   ARG  22           HA       ARG  22  -6.830  -5.172  -5.172
  432   1HB   ARG  22          2HB       ARG  22  -8.054  -3.244  -3.244
  433   2HB   ARG  22          1HB       ARG  22  -8.057  -4.358  -4.358
  434   1HG   ARG  22          2HG       ARG  22 -10.092  -4.823  -4.823
  435   2HG   ARG  22          1HG       ARG  22  -9.004  -6.092  -6.092
  436   1HD   ARG  22          2HD       ARG  22  -8.640  -4.996  -4.996
  437   2HD   ARG  22          1HD       ARG  22  -9.345  -3.491  -3.491
  438    HE   ARG  22           HE       ARG  22 -11.270  -5.585  -5.585
  439   1HH1  ARG  22          1HH1      ARG  22  -9.596  -3.497  -3.497
  440   2HH1  ARG  22          2HH1      ARG  22 -10.872  -3.548  -3.548
  441   1HH2  ARG  22          1HH2      ARG  22 -12.908  -5.624  -5.624
  442   2HH2  ARG  22          2HH2      ARG  22 -12.732  -4.741  -4.741
  443    H    GLN  23           H        GLN  23  -5.529  -5.081  -5.081
  444    HA   GLN  23           HA       GLN  23  -6.279  -7.806  -7.806
  445   1HB   GLN  23          2HB       GLN  23  -4.835  -5.618  -5.618
  446   2HB   GLN  23          1HB       GLN  23  -4.399  -7.262  -7.262
  447   1HG   GLN  23          2HG       GLN  23  -7.284  -6.393  -6.393
  448   2HG   GLN  23          1HG       GLN  23  -6.345  -6.152  -6.152
  449   1HE2  GLN  23          2HE2      GLN  23  -7.183  -9.426  -9.426
  450   2HE2  GLN  23          1HE2      GLN  23  -7.142  -7.776  -7.776
  451    H    ASN  24           H        ASN  24  -3.226  -6.114  -6.114
  452    HA   ASN  24           HA       ASN  24  -1.560  -8.388  -8.388
  453   1HB   ASN  24          2HB       ASN  24  -1.238  -5.849  -5.849
  454   2HB   ASN  24          1HB       ASN  24   0.032  -7.026  -7.026
  455   1HD2  ASN  24          2HD2      ASN  24   0.742  -4.804  -4.804
  456   2HD2  ASN  24          1HD2      ASN  24   1.190  -5.212  -5.212
  457    H    ALA  25           H        ALA  25  -3.615  -7.033  -7.033
  458    HA   ALA  25           HA       ALA  25  -2.561  -8.541  -8.541
  459   1HB   ALA  25          3HB       ALA  25  -3.971  -6.493  -6.493
  460   2HB   ALA  25          2HB       ALA  25  -5.358  -7.424  -7.424
  461   3HB   ALA  25          1HB       ALA  25  -4.552  -7.866  -7.866
  462    H    LEU  26           H        LEU  26  -5.405  -8.981  -8.981
  463    HA   LEU  26           HA       LEU  26  -6.123 -11.504 -11.504
  464   1HB   LEU  26          2HB       LEU  26  -7.546  -9.775  -9.775
  465   2HB   LEU  26          1HB       LEU  26  -6.983 -10.777 -10.777
  466    HG   LEU  26           HG       LEU  26  -7.744 -12.780 -12.780
  467   1HD1  LEU  26          2HD1      LEU  26  -8.088 -11.203 -11.203
  468   2HD1  LEU  26          1HD1      LEU  26  -9.542 -10.645 -10.645
  469   3HD1  LEU  26          3HD1      LEU  26  -9.400 -12.333 -12.333
  470   1HD2  LEU  26          2HD2      LEU  26  -9.565 -10.829 -10.829
  471   2HD2  LEU  26          1HD2      LEU  26  -8.927 -12.362 -12.362
  472   3HD2  LEU  26          3HD2      LEU  26 -10.175 -12.351 -12.351
  473    H    LEU  27           H        LEU  27  -4.160 -10.460 -10.460
  474    HA   LEU  27           HA       LEU  27  -3.930 -12.931 -12.931
  475   1HB   LEU  27          2HB       LEU  27  -2.185 -10.484 -10.484
  476   2HB   LEU  27          1HB       LEU  27  -1.662 -11.917 -11.917
  477    HG   LEU  27           HG       LEU  27  -4.382 -10.690 -10.690
  478   1HD1  LEU  27          1HD1      LEU  27  -1.696  -9.852  -9.852
  479   2HD1  LEU  27          3HD1      LEU  27  -3.101  -9.754  -9.754
  480   3HD1  LEU  27          2HD1      LEU  27  -3.076  -8.854  -8.854
  481   1HD2  LEU  27          3HD2      LEU  27  -2.536 -12.538 -12.538
  482   2HD2  LEU  27          2HD2      LEU  27  -4.137 -12.907 -12.907
  483   3HD2  LEU  27          1HD2      LEU  27  -3.967 -11.797 -11.797
  484    H    GLU  28           H        GLU  28  -1.649 -11.383 -11.383
  485    HA   GLU  28           HA       GLU  28   0.123 -13.539 -13.539
  486   1HB   GLU  28          2HB       GLU  28   0.569 -11.228 -11.228
  487   2HB   GLU  28          1HB       GLU  28  -0.572 -11.503 -11.503
  488   1HG   GLU  28          2HG       GLU  28   0.872 -12.844 -12.844
  489   2HG   GLU  28          1HG       GLU  28   1.502 -13.591 -13.591
  490    H    GLN  29           H        GLN  29  -2.768 -12.711 -12.711
  491    HA   GLN  29           HA       GLN  29  -2.616 -14.669 -14.669
  492   1HB   GLN  29          2HB       GLN  29  -4.298 -12.774 -12.774
  493   2HB   GLN  29          1HB       GLN  29  -5.191 -13.779 -13.779
  494   1HG   GLN  29          2HG       GLN  29  -4.372 -15.080 -15.080
  495   2HG   GLN  29          1HG       GLN  29  -5.637 -13.857 -13.857
  496   1HE2  GLN  29          2HE2      GLN  29  -6.984 -17.336 -17.336
  497   2HE2  GLN  29          1HE2      GLN  29  -5.812 -16.889 -16.889
  498    H    GLN  30           H        GLN  30  -3.547 -14.926 -14.926
  499    HA   GLN  30           HA       GLN  30  -4.489 -17.681 -17.681
  500   1HB   GLN  30          2HB       GLN  30  -4.470 -15.818 -15.818
  501   2HB   GLN  30          1HB       GLN  30  -4.949 -17.513 -17.513
  502   1HG   GLN  30          2HG       GLN  30  -6.560 -16.969 -16.969
  503   2HG   GLN  30          1HG       GLN  30  -6.279 -15.280 -15.280
  504   1HE2  GLN  30          2HE2      GLN  30  -8.911 -17.355 -17.355
  505   2HE2  GLN  30          1HE2      GLN  30  -8.345 -17.834 -17.834
  506    H    VAL  31           H        VAL  31  -1.913 -15.824 -15.824
  507    HA   VAL  31           HA       VAL  31  -0.664 -17.998 -17.998
  508    HB   VAL  31           HB       VAL  31   0.595 -15.431 -15.431
  509   1HG1  VAL  31          2HG1      VAL  31   2.184 -17.236 -17.236
  510   2HG1  VAL  31          1HG1      VAL  31   1.403 -17.284 -17.284
  511   3HG1  VAL  31          3HG1      VAL  31   2.256 -15.830 -15.830
  512   1HG2  VAL  31          1HG2      VAL  31  -1.515 -15.632 -15.632
  513   2HG2  VAL  31          3HG2      VAL  31  -0.330 -14.327 -14.327
  514   3HG2  VAL  31          2HG2      VAL  31  -0.136 -15.701 -15.701
  515    H    ARG  32           H        ARG  32  -0.458 -16.702 -16.702
  516    HA   ARG  32           HA       ARG  32   1.909 -17.970 -17.970
  517   1HB   ARG  32          2HB       ARG  32   0.967 -17.729 -17.729
  518   2HB   ARG  32          1HB       ARG  32   0.876 -16.239 -16.239
  519   1HG   ARG  32          2HG       ARG  32  -1.309 -16.239 -16.239
  520   2HG   ARG  32          1HG       ARG  32  -1.506 -17.410 -17.410
  521   1HD   ARG  32          2HD       ARG  32  -2.504 -18.393 -18.393
  522   2HD   ARG  32          1HD       ARG  32  -0.968 -19.219 -19.219
  523    HE   ARG  32           HE       ARG  32  -0.245 -18.337 -18.337
  524   1HH1  ARG  32          1HH1      ARG  32  -3.028 -16.535 -16.535
  525   2HH1  ARG  32          2HH1      ARG  32  -3.162 -15.615 -15.615
  526   1HH2  ARG  32          1HH2      ARG  32  -0.455 -17.114 -17.114
  527   2HH2  ARG  32          2HH2      ARG  32  -1.719 -15.937 -15.937
  528    H    ALA  33           H        ALA  33  -1.385 -19.122 -19.122
  529    HA   ALA  33           HA       ALA  33  -0.947 -21.579 -21.579
  530   1HB   ALA  33          1HB       ALA  33  -3.201 -20.421 -20.421
  531   2HB   ALA  33          3HB       ALA  33  -3.139 -21.070 -21.070
  532   3HB   ALA  33          2HB       ALA  33  -3.159 -22.166 -22.166
  533    H    LEU  34           H        LEU  34  -1.080 -20.608 -20.608
  534    HA   LEU  34           HA       LEU  34  -0.299 -23.314 -23.314
  535   1HB   LEU  34          2HB       LEU  34  -1.422 -20.917 -20.917
  536   2HB   LEU  34          1HB       LEU  34  -0.470 -22.067 -22.067
  537    HG   LEU  34           HG       LEU  34  -2.880 -22.618 -22.618
  538   1HD1  LEU  34          2HD1      LEU  34  -0.966 -24.374 -24.374
  539   2HD1  LEU  34          1HD1      LEU  34  -1.558 -24.707 -24.707
  540   3HD1  LEU  34          3HD1      LEU  34  -2.623 -24.930 -24.930
  541   1HD2  LEU  34          2HD2      LEU  34  -3.071 -21.719 -21.719
  542   2HD2  LEU  34          1HD2      LEU  34  -4.191 -22.929 -22.929
  543   3HD2  LEU  34          3HD2      LEU  34  -2.826 -23.427 -23.427
  544   1HN   NH2  35          1HT       LEU  34   1.628 -21.503 -21.503
  545   2HN   NH2  35          2HT       LEU  34   2.922 -21.294 -21.294

  Start of MODEL    7
    1   1H    ACE   2          1HA       ACE   2   8.680  22.921  22.921
    2   2H    ACE   2          2HA       ACE   2   7.863  21.446  21.446
    3   3H    ACE   2          3HA       ACE   2   8.998  22.253  22.253
    4    H    CYS   3           H        CYS   3   6.073  21.573  21.573
    5    HA   CYS   3           HA       CYS   3   4.854  24.234  24.234
    6   1HB   CYS   3          2HB       CYS   3   3.652  21.499  21.499
    7   2HB   CYS   3          1HB       CYS   3   2.773  23.027  23.027
    8    H    GLY   4           H        GLY   4   5.591  21.401  21.401
    9   1HA   GLY   4          2HA       GLY   4   6.529  22.622  22.622
   10   2HA   GLY   4          1HA       GLY   4   4.781  22.718  22.718
   11    H    GLY   5           H        GLY   5   4.431  21.276  21.276
   12   1HA   GLY   5          2HA       GLY   5   5.772  18.824  18.824
   13   2HA   GLY   5          1HA       GLY   5   4.207  19.242  19.242
   14    H    VAL   6           H        VAL   6   2.978  19.712  19.712
   15    HA   VAL   6           HA       VAL   6   1.947  17.132  17.132
   16    HB   VAL   6           HB       VAL   6   0.715  19.204  19.204
   17   1HG1  VAL   6          3HG1      VAL   6   2.756  20.426  20.426
   18   2HG1  VAL   6          2HG1      VAL   6   2.598  19.489  19.489
   19   3HG1  VAL   6          1HG1      VAL   6   1.314  20.595  20.595
   20   1HG2  VAL   6          3HG2      VAL   6   0.628  16.865  16.865
   21   2HG2  VAL   6          2HG2      VAL   6  -0.440  18.222  18.222
   22   3HG2  VAL   6          1HG2      VAL   6   1.013  17.964  17.964
   23    H    GLN   7           H        GLN   7   4.604  18.923  18.923
   24    HA   GLN   7           HA       GLN   7   4.997  17.371  17.371
   25   1HB   GLN   7          2HB       GLN   7   6.108  19.576  19.576
   26   2HB   GLN   7          1HB       GLN   7   7.163  18.715  18.715
   27   1HG   GLN   7          2HG       GLN   7   7.465  17.126  17.126
   28   2HG   GLN   7          1HG       GLN   7   7.096  18.638  18.638
   29   1HE2  GLN   7          2HE2      GLN   7  10.465  18.545  18.545
   30   2HE2  GLN   7          1HE2      GLN   7   9.131  17.587  17.587
   31    H    ALA   8           H        ALA   8   5.943  16.909  16.909
   32    HA   ALA   8           HA       ALA   8   7.777  14.762  14.762
   33   1HB   ALA   8          2HB       ALA   8   6.443  15.909  15.909
   34   2HB   ALA   8          1HB       ALA   8   7.199  14.320  14.320
   35   3HB   ALA   8          3HB       ALA   8   8.162  15.725  15.725
   36    H    GLU   9           H        GLU   9   4.395  14.936  14.936
   37    HA   GLU   9           HA       GLU   9   4.006  12.135  12.135
   38   1HB   GLU   9          2HB       GLU   9   2.229  14.527  14.527
   39   2HB   GLU   9          1HB       GLU   9   1.509  12.945  12.945
   40   1HG   GLU   9          2HG       GLU   9   2.525  12.133  12.133
   41   2HG   GLU   9          1HG       GLU   9   3.066  13.782  13.782
   42    H    GLU  10           H        GLU  10   3.753  14.398  14.398
   43    HA   GLU  10           HA       GLU  10   2.330  12.771  12.771
   44   1HB   GLU  10          2HB       GLU  10   3.166  15.312  15.312
   45   2HB   GLU  10          1HB       GLU  10   4.458  14.569  14.569
   46   1HG   GLU  10          2HG       GLU  10   2.997  13.811  13.811
   47   2HG   GLU  10          1HG       GLU  10   1.599  13.849  13.849
   48    H    GLN  11           H        GLN  11   5.808  13.164  13.164
   49    HA   GLN  11           HA       GLN  11   6.684  11.396  11.396
   50   1HB   GLN  11          2HB       GLN  11   7.921  12.528  12.528
   51   2HB   GLN  11          1HB       GLN  11   8.739  11.222  11.222
   52   1HG   GLN  11          2HG       GLN  11   7.726  13.602  13.602
   53   2HG   GLN  11          1HG       GLN  11   9.258  13.704  13.704
   54   1HE2  GLN  11          2HE2      GLN  11  10.860  11.229  11.229
   55   2HE2  GLN  11          1HE2      GLN  11  10.817  11.776  11.776
   56    H    LYS  12           H        LYS  12   5.650  10.926  10.926
   57    HA   LYS  12           HA       LYS  12   6.550   8.218   8.218
   58   1HB   LYS  12          2HB       LYS  12   5.883   9.891   9.891
   59   2HB   LYS  12          1HB       LYS  12   4.241   9.330   9.330
   60   1HG   LYS  12          2HG       LYS  12   5.032   6.978   6.978
   61   2HG   LYS  12          1HG       LYS  12   6.617   7.609   7.609
   62   1HD   LYS  12          2HD       LYS  12   4.080   8.455   8.455
   63   2HD   LYS  12          1HD       LYS  12   5.046   7.077   7.077
   64   1HE   LYS  12          2HE       LYS  12   7.039   8.611   8.611
   65   2HE   LYS  12          1HE       LYS  12   5.951   9.961   9.961
   66   1HZ   LYS  12          3HZ       LYS  12   5.447   8.070   8.070
   67   2HZ   LYS  12          2HZ       LYS  12   6.463   9.417   9.417
   68   3HZ   LYS  12          1HZ       LYS  12   4.830   9.635   9.635
   69    H    LEU  13           H        LEU  13   3.502   9.766   9.766
   70    HA   LEU  13           HA       LEU  13   1.908   7.445   7.445
   71   1HB   LEU  13          2HB       LEU  13   1.760  10.164  10.164
   72   2HB   LEU  13          1HB       LEU  13   0.660   8.897   8.897
   73    HG   LEU  13           HG       LEU  13   0.998   9.343   9.343
   74   1HD1  LEU  13          1HD1      LEU  13  -0.741  11.030  11.030
   75   2HD1  LEU  13          3HD1      LEU  13  -0.795  11.049  11.049
   76   3HD1  LEU  13          2HD1      LEU  13   0.650  11.604  11.604
   77   1HD2  LEU  13          3HD2      LEU  13  -0.456   7.579   7.579
   78   2HD2  LEU  13          2HD2      LEU  13  -0.997   8.202   8.202
   79   3HD2  LEU  13          1HD2      LEU  13  -1.615   8.907   8.907
   80    H    ILE  14           H        ILE  14   4.048   8.992   8.992
   81    HA   ILE  14           HA       ILE  14   3.340   7.254   7.254
   82    HB   ILE  14           HB       ILE  14   5.813   8.970   8.970
   83   1HG1  ILE  14          2HG1      ILE  14   3.290   9.650   9.650
   84   2HG1  ILE  14          1HG1      ILE  14   3.515  10.110  10.110
   85   1HG2  ILE  14          1HG2      ILE  14   4.507   7.652   7.652
   86   2HG2  ILE  14          3HG2      ILE  14   5.730   8.917   8.917
   87   3HG2  ILE  14          2HG2      ILE  14   6.136   7.375   7.375
   88   1HD1  ILE  14          3HD1      ILE  14   5.392  10.838  10.838
   89   2HD1  ILE  14          2HD1      ILE  14   4.209  11.926  11.926
   90   3HD1  ILE  14          1HD1      ILE  14   5.565  11.329  11.329
   91    H    SER  15           H        SER  15   6.229   7.535   7.535
   92    HA   SER  15           HA       SER  15   7.582   5.288   5.288
   93   1HB   SER  15          2HB       SER  15   8.459   7.110   7.110
   94   2HB   SER  15          1HB       SER  15   7.727   6.169   6.169
   95    HG   SER  15           HG       SER  15   9.557   5.123   5.123
   96    H    GLU  16           H        GLU  16   5.038   5.586   5.586
   97    HA   GLU  16           HA       GLU  16   5.268   2.938   2.938
   98   1HB   GLU  16          2HB       GLU  16   4.096   4.842   4.842
   99   2HB   GLU  16          1HB       GLU  16   2.801   4.688   4.688
  100   1HG   GLU  16          2HG       GLU  16   2.706   2.208   2.208
  101   2HG   GLU  16          1HG       GLU  16   3.677   2.678   2.678
  102    H    GLU  17           H        GLU  17   3.280   4.443   4.443
  103    HA   GLU  17           HA       GLU  17   1.685   2.189   2.189
  104   1HB   GLU  17          2HB       GLU  17   2.411   4.711   4.711
  105   2HB   GLU  17          1HB       GLU  17   1.687   3.407   3.407
  106   1HG   GLU  17          2HG       GLU  17  -0.128   3.289   3.289
  107   2HG   GLU  17          1HG       GLU  17   0.528   4.791   4.791
  108    H    ASP  18           H        ASP  18   4.852   3.240   3.240
  109    HA   ASP  18           HA       ASP  18   5.149   1.402   1.402
  110   1HB   ASP  18          2HB       ASP  18   6.628   3.405   3.405
  111   2HB   ASP  18          1HB       ASP  18   7.392   2.426   2.426
  112    H    LEU  19           H        LEU  19   5.827   1.180   1.180
  113    HA   LEU  19           HA       LEU  19   7.194  -1.290  -1.290
  114   1HB   LEU  19          2HB       LEU  19   6.742   0.475   0.475
  115   2HB   LEU  19          1HB       LEU  19   5.405  -0.620  -0.620
  116    HG   LEU  19           HG       LEU  19   7.328  -2.453  -2.453
  117   1HD1  LEU  19          3HD1      LEU  19   8.861  -0.288  -0.288
  118   2HD1  LEU  19          2HD1      LEU  19   8.943  -0.358  -0.358
  119   3HD1  LEU  19          1HD1      LEU  19   9.478  -1.736  -1.736
  120   1HD2  LEU  19          2HD2      LEU  19   6.797  -0.766  -0.766
  121   2HD2  LEU  19          1HD2      LEU  19   5.999  -2.272  -2.272
  122   3HD2  LEU  19          3HD2      LEU  19   7.694  -2.282  -2.282
  123    H    LEU  20           H        LEU  20   3.781  -0.459  -0.459
  124    HA   LEU  20           HA       LEU  20   2.898  -3.176  -3.176
  125   1HB   LEU  20          2HB       LEU  20   1.583  -0.549  -0.549
  126   2HB   LEU  20          1HB       LEU  20   0.676  -2.012  -2.012
  127    HG   LEU  20           HG       LEU  20   2.088  -1.916  -1.916
  128   1HD1  LEU  20          3HD1      LEU  20   0.819   0.313   0.313
  129   2HD1  LEU  20          2HD1      LEU  20  -0.639  -0.667  -0.667
  130   3HD1  LEU  20          1HD1      LEU  20   0.485  -0.549  -0.549
  131   1HD2  LEU  20          3HD2      LEU  20  -0.285  -3.215  -3.215
  132   2HD2  LEU  20          2HD2      LEU  20   0.946  -3.912  -3.912
  133   3HD2  LEU  20          1HD2      LEU  20  -0.351  -2.930  -2.930
  134    H    ARG  21           H        ARG  21   3.475  -1.059  -1.059
  135    HA   ARG  21           HA       ARG  21   2.132  -2.558  -2.558
  136   1HB   ARG  21          2HB       ARG  21   4.361  -0.551  -0.551
  137   2HB   ARG  21          1HB       ARG  21   3.953  -1.436  -1.436
  138   1HG   ARG  21          2HG       ARG  21   1.916  -0.406  -0.406
  139   2HG   ARG  21          1HG       ARG  21   1.679  -0.269  -0.269
  140   1HD   ARG  21          2HD       ARG  21   2.043   1.943   1.943
  141   2HD   ARG  21          1HD       ARG  21   3.284   1.563   1.563
  142    HE   ARG  21           HE       ARG  21   4.331   0.664   0.664
  143   1HH1  ARG  21          1HH1      ARG  21   3.043   3.719   3.719
  144   2HH1  ARG  21          2HH1      ARG  21   4.051   4.659   4.659
  145   1HH2  ARG  21          1HH2      ARG  21   5.628   1.928   1.928
  146   2HH2  ARG  21          2HH2      ARG  21   5.503   3.654   3.654
  147    H    LYS  22           H        LYS  22   5.398  -2.734  -2.734
  148    HA   LYS  22           HA       LYS  22   6.282  -4.752  -4.752
  149   1HB   LYS  22          2HB       LYS  22   8.242  -4.934  -4.934
  150   2HB   LYS  22          1HB       LYS  22   7.935  -3.283  -3.283
  151   1HG   LYS  22          2HG       LYS  22   7.046  -2.635  -2.635
  152   2HG   LYS  22          1HG       LYS  22   6.732  -4.300  -4.300
  153   1HD   LYS  22          2HD       LYS  22   9.565  -3.589  -3.589
  154   2HD   LYS  22          1HD       LYS  22   8.859  -2.915  -2.915
  155   1HE   LYS  22          2HE       LYS  22   8.637  -4.968  -4.968
  156   2HE   LYS  22          1HE       LYS  22   8.340  -5.797  -5.797
  157   1HZ   LYS  22          2HZ       LYS  22  10.712  -5.447  -5.447
  158   2HZ   LYS  22          1HZ       LYS  22  10.951  -4.829  -4.829
  159   3HZ   LYS  22          3HZ       LYS  22  10.472  -6.443  -6.443
  160    H    ARG  23           H        ARG  23   4.672  -4.717  -4.717
  161    HA   ARG  23           HA       ARG  23   5.272  -7.461  -7.461
  162   1HB   ARG  23          2HB       ARG  23   4.716  -5.693  -5.693
  163   2HB   ARG  23          1HB       ARG  23   3.055  -5.729  -5.729
  164   1HG   ARG  23          2HG       ARG  23   3.102  -7.223  -7.223
  165   2HG   ARG  23          1HG       ARG  23   3.110  -8.252  -8.252
  166   1HD   ARG  23          2HD       ARG  23   5.490  -8.591  -8.591
  167   2HD   ARG  23          1HD       ARG  23   5.626  -7.381  -7.381
  168    HE   ARG  23           HE       ARG  23   3.872  -9.248  -9.248
  169   1HH1  ARG  23          1HH1      ARG  23   7.131  -9.332  -9.332
  170   2HH1  ARG  23          2HH1      ARG  23   7.602 -10.676 -10.676
  171   1HH2  ARG  23          1HH2      ARG  23   4.528 -10.999 -10.999
  172   2HH2  ARG  23          2HH2      ARG  23   6.143 -11.612 -11.612
  173    H    ARG  24           H        ARG  24   2.504  -5.707  -5.707
  174    HA   ARG  24           HA       ARG  24   0.754  -7.927  -7.927
  175   1HB   ARG  24          2HB       ARG  24  -0.523  -6.586  -6.586
  176   2HB   ARG  24          1HB       ARG  24  -0.091  -5.647  -5.647
  177   1HG   ARG  24          2HG       ARG  24   1.836  -4.688  -4.688
  178   2HG   ARG  24          1HG       ARG  24   1.377  -5.609  -5.609
  179   1HD   ARG  24          2HD       ARG  24  -0.503  -3.680  -3.680
  180   2HD   ARG  24          1HD       ARG  24   0.575  -3.190  -3.190
  181    HE   ARG  24           HE       ARG  24  -1.868  -4.661  -4.661
  182   1HH1  ARG  24          1HH1      ARG  24   1.341  -4.272  -4.272
  183   2HH1  ARG  24          2HH1      ARG  24   0.870  -4.820  -4.820
  184   1HH2  ARG  24          1HH2      ARG  24  -2.438  -5.368  -5.368
  185   2HH2  ARG  24          2HH2      ARG  24  -1.250  -5.435  -5.435
  186    H    GLU  25           H        GLU  25   3.143  -6.641  -6.641
  187    HA   GLU  25           HA       GLU  25   2.439  -8.382  -8.382
  188   1HB   GLU  25          2HB       GLU  25   4.636  -7.745  -7.745
  189   2HB   GLU  25          1HB       GLU  25   3.708  -6.341  -6.341
  190   1HG   GLU  25          2HG       GLU  25   5.000  -6.180  -6.180
  191   2HG   GLU  25          1HG       GLU  25   5.844  -7.684  -7.684
  192    H    GLN  26           H        GLN  26   4.586  -8.625  -8.625
  193    HA   GLN  26           HA       GLN  26   5.920 -11.008 -11.008
  194   1HB   GLN  26          2HB       GLN  26   6.543  -9.197  -9.197
  195   2HB   GLN  26          1HB       GLN  26   5.759 -10.405 -10.405
  196   1HG   GLN  26          2HG       GLN  26   7.708 -11.404 -11.404
  197   2HG   GLN  26          1HG       GLN  26   8.367 -10.546 -10.546
  198   1HE2  GLN  26          2HE2      GLN  26   8.251 -13.763 -13.763
  199   2HE2  GLN  26          1HE2      GLN  26   9.269 -12.623 -12.623
  200    H    LEU  27           H        LEU  27   3.131 -10.255 -10.255
  201    HA   LEU  27           HA       LEU  27   2.710 -12.890 -12.890
  202   1HB   LEU  27          2HB       LEU  27   0.938 -10.465 -10.465
  203   2HB   LEU  27          1HB       LEU  27   0.318 -12.001 -12.001
  204    HG   LEU  27           HG       LEU  27   2.849 -10.899 -10.899
  205   1HD1  LEU  27          2HD1      LEU  27   0.036  -9.938  -9.938
  206   2HD1  LEU  27          1HD1      LEU  27   1.368  -9.740  -9.740
  207   3HD1  LEU  27          3HD1      LEU  27   1.438  -8.964  -8.964
  208   1HD2  LEU  27          2HD2      LEU  27   0.601 -12.729 -12.729
  209   2HD2  LEU  27          1HD2      LEU  27   2.342 -12.996 -12.996
  210   3HD2  LEU  27          3HD2      LEU  27   1.545 -11.933 -11.933
  211    H    LYS  28           H        LYS  28   1.586 -11.128 -11.128
  212    HA   LYS  28           HA       LYS  28  -0.312 -13.034 -13.034
  213   1HB   LYS  28          2HB       LYS  28   0.012 -10.620 -10.620
  214   2HB   LYS  28          1HB       LYS  28   1.303 -11.266 -11.266
  215   1HG   LYS  28          2HG       LYS  28  -0.272 -12.843 -12.843
  216   2HG   LYS  28          1HG       LYS  28  -1.568 -12.244 -12.244
  217   1HD   LYS  28          2HD       LYS  28  -1.972 -10.915 -10.915
  218   2HD   LYS  28          1HD       LYS  28  -0.760  -9.902  -9.902
  219   1HE   LYS  28          2HE       LYS  28   0.041 -10.068 -10.068
  220   2HE   LYS  28          1HE       LYS  28   0.962 -11.307 -11.307
  221   1HZ   LYS  28          3HZ       LYS  28  -1.608 -11.949 -11.949
  222   2HZ   LYS  28          2HZ       LYS  28  -0.162 -11.932 -11.932
  223   3HZ   LYS  28          1HZ       LYS  28  -0.341 -12.995 -12.995
  224    H    HIS  29           H        HIS  29   3.159 -12.703 -12.703
  225    HA   HIS  29           HA       HIS  29   3.451 -14.665 -14.665
  226   1HB   HIS  29          2HB       HIS  29   5.432 -13.688 -13.688
  227   2HB   HIS  29          1HB       HIS  29   5.839 -14.690 -14.690
  228    HD1  HIS  29           HD1      HIS  29   3.764 -13.137 -13.137
  229    HD2  HIS  29           HD2      HIS  29   6.803 -11.416 -11.416
  230    HE1  HIS  29           HE1      HIS  29   4.311 -10.921 -10.921
  231    H    LYS  30           H        LYS  30   3.253 -14.807 -14.807
  232    HA   LYS  30           HA       LYS  30   4.146 -17.540 -17.540
  233   1HB   LYS  30          2HB       LYS  30   4.169 -15.701 -15.701
  234   2HB   LYS  30          1HB       LYS  30   2.482 -16.155 -16.155
  235   1HG   LYS  30          2HG       LYS  30   3.056 -18.396 -18.396
  236   2HG   LYS  30          1HG       LYS  30   4.701 -18.206 -18.206
  237   1HD   LYS  30          2HD       LYS  30   3.767 -16.406 -16.406
  238   2HD   LYS  30          1HD       LYS  30   4.224 -18.066 -18.066
  239   1HE   LYS  30          2HE       LYS  30   6.380 -17.622 -17.622
  240   2HE   LYS  30          1HE       LYS  30   5.931 -15.917 -15.917
  241   1HZ   LYS  30          1HZ       LYS  30   5.691 -16.255 -16.255
  242   2HZ   LYS  30          3HZ       LYS  30   6.535 -17.710 -17.710
  243   3HZ   LYS  30          2HZ       LYS  30   7.272 -16.233 -16.233
  244    H    LEU  31           H        LEU  31   0.999 -15.895 -15.895
  245    HA   LEU  31           HA       LEU  31  -0.502 -18.315 -18.315
  246   1HB   LEU  31          2HB       LEU  31  -1.145 -15.436 -15.436
  247   2HB   LEU  31          1HB       LEU  31  -2.383 -16.628 -16.628
  248    HG   LEU  31           HG       LEU  31  -0.920 -16.623 -16.623
  249   1HD1  LEU  31          1HD1      LEU  31  -3.492 -15.246 -15.246
  250   2HD1  LEU  31          3HD1      LEU  31  -3.075 -15.593 -15.593
  251   3HD1  LEU  31          2HD1      LEU  31  -2.061 -14.511 -14.511
  252   1HD2  LEU  31          3HD2      LEU  31  -3.338 -18.004 -18.004
  253   2HD2  LEU  31          2HD2      LEU  31  -1.944 -18.721 -18.721
  254   3HD2  LEU  31          1HD2      LEU  31  -3.147 -17.832 -17.832
  255    H    GLU  32           H        GLU  32   0.044 -16.061 -16.061
  256    HA   GLU  32           HA       GLU  32  -1.117 -18.036 -18.036
  257   1HB   GLU  32          2HB       GLU  32  -0.372 -15.125 -15.125
  258   2HB   GLU  32          1HB       GLU  32  -0.966 -16.163 -16.163
  259   1HG   GLU  32          2HG       GLU  32  -2.918 -16.675 -16.675
  260   2HG   GLU  32          1HG       GLU  32  -2.417 -15.155 -15.155
  261    H    GLN  33           H        GLN  33   1.411 -18.597 -18.597
  262    HA   GLN  33           HA       GLN  33   3.611 -17.892 -17.892
  263   1HB   GLN  33          2HB       GLN  33   3.535 -19.112 -19.112
  264   2HB   GLN  33          1HB       GLN  33   3.435 -20.575 -20.575
  265   1HG   GLN  33          2HG       GLN  33   5.510 -18.566 -18.566
  266   2HG   GLN  33          1HG       GLN  33   5.790 -19.516 -19.516
  267   1HE2  GLN  33          2HE2      GLN  33   5.617 -22.651 -22.651
  268   2HE2  GLN  33          1HE2      GLN  33   4.826 -22.012 -22.012
  269    H    LEU  34           H        LEU  34   1.172 -20.401 -20.401
  270    HA   LEU  34           HA       LEU  34   2.505 -21.749 -21.749
  271   1HB   LEU  34          2HB       LEU  34  -0.221 -22.035 -22.035
  272   2HB   LEU  34          1HB       LEU  34   0.260 -22.950 -22.950
  273    HG   LEU  34           HG       LEU  34   2.020 -22.915 -22.915
  274   1HD1  LEU  34          3HD1      LEU  34  -0.434 -24.617 -24.617
  275   2HD1  LEU  34          2HD1      LEU  34   0.845 -25.087 -25.087
  276   3HD1  LEU  34          1HD1      LEU  34  -0.084 -23.618 -23.618
  277   1HD2  LEU  34          2HD2      LEU  34   2.684 -23.836 -23.836
  278   2HD2  LEU  34          1HD2      LEU  34   2.898 -24.921 -24.921
  279   3HD2  LEU  34          3HD2      LEU  34   1.511 -25.117 -25.117
  280   1HN   NH2  35          1HT       LEU  34  -0.273 -19.503 -19.503
  281   2HN   NH2  35          2HT       LEU  34  -0.373 -19.161 -19.161
  282   1H    ACE   2          1HA       ACE   2   4.878  26.006  26.006
  283   2H    ACE   2          2HA       ACE   2   4.823  26.942  26.942
  284   3H    ACE   2          3HA       ACE   2   3.868  27.447  27.447
  285    H    CYS   3           H        CYS   3   4.286  24.153  24.153
  286    HA   CYS   3           HA       CYS   3   2.782  22.589  22.589
  287   1HB   CYS   3          2HB       CYS   3   1.254  25.015  25.015
  288   2HB   CYS   3          1HB       CYS   3   1.005  23.350  23.350
  289    H    GLY   4           H        GLY   4   0.660  21.675  21.675
  290   1HA   GLY   4          2HA       GLY   4  -1.378  22.836  22.836
  291   2HA   GLY   4          1HA       GLY   4  -0.246  22.113  22.113
  292    H    GLY   5           H        GLY   5  -3.049  21.535  21.535
  293   1HA   GLY   5          2HA       GLY   5  -4.314  19.647  19.647
  294   2HA   GLY   5          1HA       GLY   5  -3.125  18.777  18.777
  295    H    MET   6           H        MET   6  -3.412  20.267  20.267
  296    HA   MET   6           HA       MET   6  -1.483  18.458  18.458
  297   1HB   MET   6          2HB       MET   6  -1.877  20.805  20.805
  298   2HB   MET   6          1HB       MET   6  -3.432  20.261  20.261
  299   1HG   MET   6          2HG       MET   6  -2.167  18.465  18.465
  300   2HG   MET   6          1HG       MET   6  -0.679  19.288  19.288
  301   1HE   MET   6          3HE       MET   6  -3.450  18.835  18.835
  302   2HE   MET   6          2HE       MET   6  -1.960  18.796  18.796
  303   3HE   MET   6          1HE       MET   6  -3.194  19.996  19.996
  304    H    ARG   7           H        ARG   7  -4.903  19.062  19.062
  305    HA   ARG   7           HA       ARG   7  -5.194  16.558  16.558
  306   1HB   ARG   7          2HB       ARG   7  -7.644  17.122  17.122
  307   2HB   ARG   7          1HB       ARG   7  -6.623  18.375  18.375
  308   1HG   ARG   7          2HG       ARG   7  -6.777  19.744  19.744
  309   2HG   ARG   7          1HG       ARG   7  -7.359  18.415  18.415
  310   1HD   ARG   7          2HD       ARG   7  -9.357  18.364  18.364
  311   2HD   ARG   7          1HD       ARG   7  -8.838  19.998  19.998
  312    HE   ARG   7           HE       ARG   7 -10.186  19.160  19.160
  313   1HH1  ARG   7          1HH1      ARG   7  -7.926  21.483  21.483
  314   2HH1  ARG   7          2HH1      ARG   7  -8.272  22.677  22.677
  315   1HH2  ARG   7          1HH2      ARG   7 -10.606  20.745  20.745
  316   2HH2  ARG   7          2HH2      ARG   7  -9.776  22.263  22.263
  317    H    ARG   8           H        ARG   8  -5.715  17.660  17.660
  318    HA   ARG   8           HA       ARG   8  -7.370  15.546  15.546
  319   1HB   ARG   8          2HB       ARG   8  -6.920  17.698  17.698
  320   2HB   ARG   8          1HB       ARG   8  -5.335  17.048  17.048
  321   1HG   ARG   8          2HG       ARG   8  -6.544  16.345  16.345
  322   2HG   ARG   8          1HG       ARG   8  -6.781  14.956  14.956
  323   1HD   ARG   8          2HD       ARG   8  -8.978  15.381  15.381
  324   2HD   ARG   8          1HD       ARG   8  -8.838  16.404  16.404
  325    HE   ARG   8           HE       ARG   8  -9.124  18.236  18.236
  326   1HH1  ARG   8          1HH1      ARG   8  -8.056  15.516  15.516
  327   2HH1  ARG   8          2HH1      ARG   8  -8.220  16.366  16.366
  328   1HH2  ARG   8          1HH2      ARG   8  -9.323  19.309  19.309
  329   2HH2  ARG   8          2HH2      ARG   8  -8.931  18.496  18.496
  330    H    LYS   9           H        LYS   9  -3.853  15.960  15.960
  331    HA   LYS   9           HA       LYS   9  -3.309  13.433  13.433
  332   1HB   LYS   9          2HB       LYS   9  -1.789  15.561  15.561
  333   2HB   LYS   9          1HB       LYS   9  -1.316  14.857  14.857
  334   1HG   LYS   9          2HG       LYS   9  -0.241  13.080  13.080
  335   2HG   LYS   9          1HG       LYS   9  -1.356  13.023  13.023
  336   1HD   LYS   9          2HD       LYS   9   0.400  15.425  15.425
  337   2HD   LYS   9          1HD       LYS   9   1.147  13.916  13.916
  338   1HE   LYS   9          2HE       LYS   9  -0.905  13.783  13.783
  339   2HE   LYS   9          1HE       LYS   9  -1.021  15.518  15.518
  340   1HZ   LYS   9          3HZ       LYS   9   1.497  14.191  14.191
  341   2HZ   LYS   9          2HZ       LYS   9   0.390  14.840  14.840
  342   3HZ   LYS   9          1HZ       LYS   9   1.154  15.853  15.853
  343    H    ASN  10           H        ASN  10  -3.296  14.656  14.656
  344    HA   ASN  10           HA       ASN  10  -2.344  12.298  12.298
  345   1HB   ASN  10          2HB       ASN  10  -3.890  14.689  14.689
  346   2HB   ASN  10          1HB       ASN  10  -3.700  13.296  13.296
  347   1HD2  ASN  10          2HD2      ASN  10  -0.775  15.745  15.745
  348   2HD2  ASN  10          1HD2      ASN  10  -2.449  16.023  16.023
  349    H    ASP  11           H        ASP  11  -5.601  13.436  13.436
  350    HA   ASP  11           HA       ASP  11  -7.038  11.381  11.381
  351   1HB   ASP  11          2HB       ASP  11  -7.638  13.336  13.336
  352   2HB   ASP  11          1HB       ASP  11  -8.733  11.971  11.971
  353    H    THR  12           H        THR  12  -5.500  11.583  11.583
  354    HA   THR  12           HA       THR  12  -6.666   9.178   9.178
  355    HB   THR  12           HB       THR  12  -4.058  10.375  10.375
  356    HG1  THR  12           HG1      THR  12  -5.275  12.124  12.124
  357   1HG2  THR  12          2HG2      THR  12  -6.211   8.625   8.625
  358   2HG2  THR  12          1HG2      THR  12  -5.324   9.680   9.680
  359   3HG2  THR  12          3HG2      THR  12  -4.460   8.474   8.474
  360    H    HIS  13           H        HIS  13  -3.785   9.984   9.984
  361    HA   HIS  13           HA       HIS  13  -2.467   7.469   7.469
  362   1HB   HIS  13          2HB       HIS  13  -2.151   9.696   9.696
  363   2HB   HIS  13          1HB       HIS  13  -1.177   8.227   8.227
  364    HD1  HIS  13           HD1      HIS  13  -0.090   7.660   7.660
  365    HD2  HIS  13           HD2      HIS  13  -0.937  11.627  11.627
  366    HE1  HIS  13           HE1      HIS  13   1.272   9.088   9.088
  367    H    GLN  14           H        GLN  14  -4.823   8.744   8.744
  368    HA   GLN  14           HA       GLN  14  -4.601   6.686   6.686
  369   1HB   GLN  14          2HB       GLN  14  -5.806   9.021   9.021
  370   2HB   GLN  14          1HB       GLN  14  -7.188   8.109   8.109
  371   1HG   GLN  14          2HG       GLN  14  -7.040   6.552   6.552
  372   2HG   GLN  14          1HG       GLN  14  -5.578   7.350   7.350
  373   1HE2  GLN  14          2HE2      GLN  14  -7.745   9.240   9.240
  374   2HE2  GLN  14          1HE2      GLN  14  -6.537   8.051   8.051
  375    H    GLN  15           H        GLN  15  -6.945   7.224   7.224
  376    HA   GLN  15           HA       GLN  15  -8.385   4.826   4.826
  377   1HB   GLN  15          2HB       GLN  15  -8.875   6.937   6.937
  378   2HB   GLN  15          1HB       GLN  15  -8.035   5.995   5.995
  379   1HG   GLN  15          2HG       GLN  15 -10.175   5.201   5.201
  380   2HG   GLN  15          1HG       GLN  15  -9.643   4.067   4.067
  381   1HE2  GLN  15          2HE2      GLN  15 -12.922   5.873   5.873
  382   2HE2  GLN  15          1HE2      GLN  15 -12.413   5.224   5.224
  383    H    ASP  16           H        ASP  16  -5.587   5.614   5.614
  384    HA   ASP  16           HA       ASP  16  -5.404   3.137   3.137
  385   1HB   ASP  16          2HB       ASP  16  -4.108   5.438   5.438
  386   2HB   ASP  16          1HB       ASP  16  -2.911   4.626   4.626
  387    H    ILE  17           H        ILE  17  -3.980   4.310   4.310
  388    HA   ILE  17           HA       ILE  17  -2.344   2.102   2.102
  389    HB   ILE  17           HB       ILE  17  -3.661   4.241   4.241
  390   1HG1  ILE  17          2HG1      ILE  17  -0.759   3.423   3.423
  391   2HG1  ILE  17          1HG1      ILE  17  -1.542   4.552   4.552
  392   1HG2  ILE  17          1HG2      ILE  17  -2.440   1.698   1.698
  393   2HG2  ILE  17          3HG2      ILE  17  -2.150   3.200   3.200
  394   3HG2  ILE  17          2HG2      ILE  17  -3.799   2.624   2.624
  395   1HD1  ILE  17          1HD1      ILE  17  -1.707   4.986   4.986
  396   2HD1  ILE  17          3HD1      ILE  17  -0.282   5.511   5.511
  397   3HD1  ILE  17          2HD1      ILE  17  -1.869   6.166   6.166
  398    H    ASP  18           H        ASP  18  -5.417   2.829   2.829
  399    HA   ASP  18           HA       ASP  18  -5.849   0.461   0.461
  400   1HB   ASP  18          2HB       ASP  18  -7.636   2.586   2.586
  401   2HB   ASP  18          1HB       ASP  18  -8.408   1.057   1.057
  402    H    ASP  19           H        ASP  19  -6.276   1.113   1.113
  403    HA   ASP  19           HA       ASP  19  -7.774  -1.289  -1.289
  404   1HB   ASP  19          2HB       ASP  19  -7.837   0.799   0.799
  405   2HB   ASP  19          1HB       ASP  19  -6.206   0.398   0.398
  406    H    LEU  20           H        LEU  20  -4.401  -0.283  -0.283
  407    HA   LEU  20           HA       LEU  20  -3.464  -2.717  -2.717
  408   1HB   LEU  20          2HB       LEU  20  -1.964  -0.533  -0.533
  409   2HB   LEU  20          1HB       LEU  20  -1.216  -1.843  -1.843
  410    HG   LEU  20           HG       LEU  20  -3.283  -0.136  -0.136
  411   1HD1  LEU  20          1HD1      LEU  20  -0.382   0.607   0.607
  412   2HD1  LEU  20          3HD1      LEU  20  -1.412   1.372   1.372
  413   3HD1  LEU  20          2HD1      LEU  20  -1.803   1.521   1.521
  414   1HD2  LEU  20          2HD2      LEU  20  -0.895  -1.799  -1.799
  415   2HD2  LEU  20          1HD2      LEU  20  -2.564  -1.939  -1.939
  416   3HD2  LEU  20          3HD2      LEU  20  -1.559  -0.601  -0.601
  417    H    LYS  21           H        LYS  21  -3.821  -1.464  -1.464
  418    HA   LYS  21           HA       LYS  21  -2.326  -3.557  -3.557
  419   1HB   LYS  21          2HB       LYS  21  -2.745  -1.283  -1.283
  420   2HB   LYS  21          1HB       LYS  21  -4.420  -1.771  -1.771
  421   1HG   LYS  21          2HG       LYS  21  -3.631  -2.496  -2.496
  422   2HG   LYS  21          1HG       LYS  21  -3.136  -3.907  -3.907
  423   1HD   LYS  21          2HD       LYS  21  -1.244  -1.622  -1.622
  424   2HD   LYS  21          1HD       LYS  21  -1.420  -2.448  -2.448
  425   1HE   LYS  21          2HE       LYS  21  -1.168  -4.219  -4.219
  426   2HE   LYS  21          1HE       LYS  21   0.271  -3.284  -3.284
  427   1HZ   LYS  21          1HZ       LYS  21   0.047  -4.094  -4.094
  428   2HZ   LYS  21          3HZ       LYS  21  -1.245  -5.080  -5.080
  429   3HZ   LYS  21          2HZ       LYS  21   0.311  -5.349  -5.349
  430    H    ARG  22           H        ARG  22  -5.787  -2.878  -2.878
  431    HA   ARG  22           HA       ARG  22  -6.773  -5.111  -5.111
  432   1HB   ARG  22          2HB       ARG  22  -8.117  -3.122  -3.122
  433   2HB   ARG  22          1HB       ARG  22  -8.085  -3.852  -3.852
  434   1HG   ARG  22          2HG       ARG  22  -9.515  -5.545  -5.545
  435   2HG   ARG  22          1HG       ARG  22  -8.903  -5.629  -5.629
  436   1HD   ARG  22          2HD       ARG  22 -10.015  -3.295  -3.295
  437   2HD   ARG  22          1HD       ARG  22 -10.913  -3.715  -3.715
  438    HE   ARG  22           HE       ARG  22 -11.030  -5.806  -5.806
  439   1HH1  ARG  22          1HH1      ARG  22 -12.366  -2.692  -2.692
  440   2HH1  ARG  22          2HH1      ARG  22 -13.863  -2.977  -2.977
  441   1HH2  ARG  22          1HH2      ARG  22 -12.995  -6.135  -6.135
  442   2HH2  ARG  22          2HH2      ARG  22 -14.217  -4.907  -4.907
  443    H    GLN  23           H        GLN  23  -5.756  -4.701  -4.701
  444    HA   GLN  23           HA       GLN  23  -6.667  -7.213  -7.213
  445   1HB   GLN  23          2HB       GLN  23  -5.975  -5.283  -5.283
  446   2HB   GLN  23          1HB       GLN  23  -4.300  -5.631  -5.631
  447   1HG   GLN  23          2HG       GLN  23  -4.810  -6.722  -6.722
  448   2HG   GLN  23          1HG       GLN  23  -4.614  -7.957  -7.957
  449   1HE2  GLN  23          2HE2      GLN  23  -7.902  -9.157  -9.157
  450   2HE2  GLN  23          1HE2      GLN  23  -6.365  -9.364  -9.364
  451    H    ASN  24           H        ASN  24  -3.498  -6.122  -6.122
  452    HA   ASN  24           HA       ASN  24  -2.280  -8.707  -8.707
  453   1HB   ASN  24          2HB       ASN  24  -1.498  -6.097  -6.097
  454   2HB   ASN  24          1HB       ASN  24  -0.585  -7.553  -7.553
  455   1HD2  ASN  24          1HD2      ASN  24   0.413  -5.270  -5.270
  456   2HD2  ASN  24          2HD2      ASN  24   0.790  -5.880  -5.880
  457    H    ALA  25           H        ALA  25  -4.044  -7.008  -7.008
  458    HA   ALA  25           HA       ALA  25  -3.269  -8.511  -8.511
  459   1HB   ALA  25          2HB       ALA  25  -4.613  -6.413  -6.413
  460   2HB   ALA  25          1HB       ALA  25  -5.998  -7.313  -7.313
  461   3HB   ALA  25          3HB       ALA  25  -5.310  -7.723  -7.723
  462    H    LEU  26           H        LEU  26  -6.301  -8.857  -8.857
  463    HA   LEU  26           HA       LEU  26  -7.037 -11.326 -11.326
  464   1HB   LEU  26          2HB       LEU  26  -8.547 -11.548 -11.548
  465   2HB   LEU  26          1HB       LEU  26  -8.667  -9.973  -9.973
  466    HG   LEU  26           HG       LEU  26  -6.681  -9.482  -9.482
  467   1HD1  LEU  26          1HD1      LEU  26  -8.602 -11.446 -11.446
  468   2HD1  LEU  26          3HD1      LEU  26  -7.411 -10.475 -10.475
  469   3HD1  LEU  26          2HD1      LEU  26  -6.881 -11.712 -11.712
  470   1HD2  LEU  26          3HD2      LEU  26  -8.773  -8.171  -8.171
  471   2HD2  LEU  26          2HD2      LEU  26  -8.390  -8.316  -8.316
  472   3HD2  LEU  26          1HD2      LEU  26  -9.655  -9.320  -9.320
  473    H    LEU  27           H        LEU  27  -4.944 -10.519 -10.519
  474    HA   LEU  27           HA       LEU  27  -4.803 -13.147 -13.147
  475   1HB   LEU  27          2HB       LEU  27  -3.090 -10.682 -10.682
  476   2HB   LEU  27          1HB       LEU  27  -2.616 -12.206 -12.206
  477    HG   LEU  27           HG       LEU  27  -5.349 -10.983 -10.983
  478   1HD1  LEU  27          3HD1      LEU  27  -3.400  -9.484  -9.484
  479   2HD1  LEU  27          2HD1      LEU  27  -3.003 -10.747 -10.747
  480   3HD1  LEU  27          1HD1      LEU  27  -4.560  -9.923  -9.923
  481   1HD2  LEU  27          1HD2      LEU  27  -4.483 -13.491 -13.491
  482   2HD2  LEU  27          3HD2      LEU  27  -5.658 -12.661 -12.661
  483   3HD2  LEU  27          2HD2      LEU  27  -3.957 -12.694 -12.694
  484    H    GLU  28           H        GLU  28  -2.547 -11.280 -11.280
  485    HA   GLU  28           HA       GLU  28  -0.641 -13.299 -13.299
  486   1HB   GLU  28          2HB       GLU  28  -0.339 -10.898 -10.898
  487   2HB   GLU  28          1HB       GLU  28  -1.426 -11.149 -11.149
  488   1HG   GLU  28          2HG       GLU  28   0.121 -12.341 -12.341
  489   2HG   GLU  28          1HG       GLU  28   0.804 -13.091 -13.091
  490    H    GLN  29           H        GLN  29  -3.531 -12.478 -12.478
  491    HA   GLN  29           HA       GLN  29  -3.210 -14.289 -14.289
  492   1HB   GLN  29          2HB       GLN  29  -5.507 -12.872 -12.872
  493   2HB   GLN  29          1HB       GLN  29  -5.896 -14.280 -14.280
  494   1HG   GLN  29          2HG       GLN  29  -5.879 -12.316 -12.316
  495   2HG   GLN  29          1HG       GLN  29  -4.484 -13.317 -13.317
  496   1HE2  GLN  29          2HE2      GLN  29  -2.106 -10.978 -10.978
  497   2HE2  GLN  29          1HE2      GLN  29  -2.349 -12.615 -12.615
  498    H    GLN  30           H        GLN  30  -4.323 -14.783 -14.783
  499    HA   GLN  30           HA       GLN  30  -5.183 -17.517 -17.517
  500   1HB   GLN  30          2HB       GLN  30  -6.133 -15.776 -15.776
  501   2HB   GLN  30          1HB       GLN  30  -4.861 -16.473 -16.473
  502   1HG   GLN  30          2HG       GLN  30  -6.510 -18.001 -18.001
  503   2HG   GLN  30          1HG       GLN  30  -5.899 -18.745 -18.745
  504   1HE2  GLN  30          2HE2      GLN  30  -9.223 -18.592 -18.592
  505   2HE2  GLN  30          1HE2      GLN  30  -7.936 -19.594 -19.594
  506    H    VAL  31           H        VAL  31  -2.499 -15.777 -15.777
  507    HA   VAL  31           HA       VAL  31  -1.211 -18.063 -18.063
  508    HB   VAL  31           HB       VAL  31  -0.024 -15.391 -15.391
  509   1HG1  VAL  31          2HG1      VAL  31   0.926 -17.625 -17.625
  510   2HG1  VAL  31          1HG1      VAL  31   1.610 -16.000 -16.000
  511   3HG1  VAL  31          3HG1      VAL  31   1.737 -16.982 -16.982
  512   1HG2  VAL  31          2HG2      VAL  31  -2.040 -15.802 -15.802
  513   2HG2  VAL  31          1HG2      VAL  31  -0.864 -14.492 -14.492
  514   3HG2  VAL  31          3HG2      VAL  31  -0.612 -15.974 -15.974
  515    H    ARG  32           H        ARG  32  -1.137 -16.460 -16.460
  516    HA   ARG  32           HA       ARG  32   1.197 -17.702 -17.702
  517   1HB   ARG  32          2HB       ARG  32  -0.351 -15.726 -15.726
  518   2HB   ARG  32          1HB       ARG  32  -1.044 -17.055 -17.055
  519   1HG   ARG  32          2HG       ARG  32   0.680 -16.440 -16.440
  520   2HG   ARG  32          1HG       ARG  32   1.513 -17.638 -17.638
  521   1HD   ARG  32          2HD       ARG  32   3.008 -15.875 -15.875
  522   2HD   ARG  32          1HD       ARG  32   2.002 -15.556 -15.556
  523    HE   ARG  32           HE       ARG  32   1.285 -13.617 -13.617
  524   1HH1  ARG  32          1HH1      ARG  32   2.601 -15.789 -15.789
  525   2HH1  ARG  32          2HH1      ARG  32   2.463 -14.633 -14.633
  526   1HH2  ARG  32          1HH2      ARG  32   1.120 -12.142 -12.142
  527   2HH2  ARG  32          2HH2      ARG  32   1.632 -12.586 -12.586
  528    H    ALA  33           H        ALA  33  -2.249 -18.544 -18.544
  529    HA   ALA  33           HA       ALA  33  -1.965 -20.828 -20.828
  530   1HB   ALA  33          2HB       ALA  33  -4.053 -19.946 -19.946
  531   2HB   ALA  33          1HB       ALA  33  -4.160 -21.521 -21.521
  532   3HB   ALA  33          3HB       ALA  33  -4.169 -20.048 -20.048
  533    H    LEU  34           H        LEU  34  -2.227 -20.538 -20.538
  534    HA   LEU  34           HA       LEU  34  -1.417 -23.337 -23.337
  535   1HB   LEU  34          2HB       LEU  34  -2.663 -21.285 -21.285
  536   2HB   LEU  34          1HB       LEU  34  -1.670 -22.523 -22.523
  537    HG   LEU  34           HG       LEU  34  -3.025 -24.199 -24.199
  538   1HD1  LEU  34          3HD1      LEU  34  -4.571 -21.637 -21.637
  539   2HD1  LEU  34          2HD1      LEU  34  -5.436 -23.172 -23.172
  540   3HD1  LEU  34          1HD1      LEU  34  -4.241 -22.873 -22.873
  541   1HD2  LEU  34          3HD2      LEU  34  -3.851 -22.729 -22.729
  542   2HD2  LEU  34          2HD2      LEU  34  -3.471 -24.438 -24.438
  543   3HD2  LEU  34          1HD2      LEU  34  -5.034 -23.810 -23.810
  544   1HN   NH2  35          1HT       LEU  34  -0.427 -20.508 -20.508
  545   2HN   NH2  35          2HT       LEU  34   1.234 -20.844 -20.844

  Start of MODEL    8
    1   1H    ACE   2          1HA       ACE   2  -1.640  28.469  28.469
    2   2H    ACE   2          2HA       ACE   2  -2.063  27.889  27.889
    3   3H    ACE   2          3HA       ACE   2  -2.751  27.112  27.112
    4    H    CYS   3           H        CYS   3  -1.939  25.074  25.074
    5    HA   CYS   3           HA       CYS   3  -0.427  23.341  23.341
    6   1HB   CYS   3          2HB       CYS   3   0.845  25.343  25.343
    7   2HB   CYS   3          1HB       CYS   3   1.784  23.941  23.941
    8    H    GLY   4           H        GLY   4   2.114  22.958  22.958
    9   1HA   GLY   4          2HA       GLY   4   4.046  23.704  23.704
   10   2HA   GLY   4          1HA       GLY   4   2.975  24.734  24.734
   11    H    GLY   5           H        GLY   5   4.673  21.889  21.889
   12   1HA   GLY   5          2HA       GLY   5   4.841  20.540  20.540
   13   2HA   GLY   5          1HA       GLY   5   3.157  20.912  20.912
   14    H    VAL   6           H        VAL   6   2.276  20.437  20.437
   15    HA   VAL   6           HA       VAL   6   1.592  17.709  17.709
   16    HB   VAL   6           HB       VAL   6   0.252  19.349  19.349
   17   1HG1  VAL   6          2HG1      VAL   6   2.476  20.367  20.367
   18   2HG1  VAL   6          1HG1      VAL   6   2.204  19.191  19.191
   19   3HG1  VAL   6          3HG1      VAL   6   0.986  20.419  20.419
   20   1HG2  VAL   6          1HG2      VAL   6   0.629  16.725  16.725
   21   2HG2  VAL   6          3HG2      VAL   6  -0.540  17.753  17.753
   22   3HG2  VAL   6          2HG2      VAL   6   1.046  17.464  17.464
   23    H    GLN   7           H        GLN   7   4.242  19.366  19.366
   24    HA   GLN   7           HA       GLN   7   5.126  17.299  17.299
   25   1HB   GLN   7          2HB       GLN   7   6.557  19.590  19.590
   26   2HB   GLN   7          1HB       GLN   7   7.405  18.445  18.445
   27   1HG   GLN   7          2HG       GLN   7   6.152  19.059  19.059
   28   2HG   GLN   7          1HG       GLN   7   4.889  19.818  19.818
   29   1HE2  GLN   7          2HE2      GLN   7   6.464  22.955  22.955
   30   2HE2  GLN   7          1HE2      GLN   7   5.061  22.052  22.052
   31    H    ALA   8           H        ALA   8   5.581  17.889  17.889
   32    HA   ALA   8           HA       ALA   8   7.580  15.802  15.802
   33   1HB   ALA   8          1HB       ALA   8   7.477  17.893  17.893
   34   2HB   ALA   8          3HB       ALA   8   6.056  17.187  17.187
   35   3HB   ALA   8          2HB       ALA   8   7.616  16.371  16.371
   36    H    GLU   9           H        GLU   9   4.215  16.321  16.321
   37    HA   GLU   9           HA       GLU   9   3.845  13.783  13.783
   38   1HB   GLU   9          2HB       GLU   9   2.341  15.935  15.935
   39   2HB   GLU   9          1HB       GLU   9   1.584  15.207  15.207
   40   1HG   GLU   9          2HG       GLU   9   1.397  13.062  13.062
   41   2HG   GLU   9          1HG       GLU   9   1.792  14.067  14.067
   42    H    GLU  10           H        GLU  10   3.442  14.945  14.945
   43    HA   GLU  10           HA       GLU  10   2.204  12.573  12.573
   44   1HB   GLU  10          2HB       GLU  10   2.166  14.863  14.863
   45   2HB   GLU  10          1HB       GLU  10   3.828  14.553  14.553
   46   1HG   GLU  10          2HG       GLU  10   3.200  12.723  12.723
   47   2HG   GLU  10          1HG       GLU  10   1.627  12.571  12.571
   48    H    GLN  11           H        GLN  11   5.514  13.652  13.652
   49    HA   GLN  11           HA       GLN  11   6.801  11.754  11.754
   50   1HB   GLN  11          2HB       GLN  11   7.887  13.772  13.772
   51   2HB   GLN  11          1HB       GLN  11   7.887  12.906  12.906
   52   1HG   GLN  11          2HG       GLN  11   9.200  11.081  11.081
   53   2HG   GLN  11          1HG       GLN  11   9.223  11.972  11.972
   54   1HE2  GLN  11          2HE2      GLN  11  11.776  13.010  13.010
   55   2HE2  GLN  11          1HE2      GLN  11  10.660  11.747  11.747
   56    H    LYS  12           H        LYS  12   5.549  11.589  11.589
   57    HA   LYS  12           HA       LYS  12   6.791   9.071   9.071
   58   1HB   LYS  12          2HB       LYS  12   5.842  10.917  10.917
   59   2HB   LYS  12          1HB       LYS  12   4.316  10.061  10.061
   60   1HG   LYS  12          2HG       LYS  12   5.300   7.984   7.984
   61   2HG   LYS  12          1HG       LYS  12   6.897   8.730   8.730
   62   1HD   LYS  12          2HD       LYS  12   6.048  10.320  10.320
   63   2HD   LYS  12          1HD       LYS  12   4.477   9.519   9.519
   64   1HE   LYS  12          2HE       LYS  12   5.523   7.403   7.403
   65   2HE   LYS  12          1HE       LYS  12   7.098   8.195   8.195
   66   1HZ   LYS  12          1HZ       LYS  12   5.901   9.841   9.841
   67   2HZ   LYS  12          3HZ       LYS  12   4.772   8.590   8.590
   68   3HZ   LYS  12          2HZ       LYS  12   6.400   8.337   8.337
   69    H    LEU  13           H        LEU  13   3.663  10.128  10.128
   70    HA   LEU  13           HA       LEU  13   2.318   7.646   7.646
   71   1HB   LEU  13          2HB       LEU  13   1.939  10.093  10.093
   72   2HB   LEU  13          1HB       LEU  13   0.946   8.656   8.656
   73    HG   LEU  13           HG       LEU  13   1.287   9.998   9.998
   74   1HD1  LEU  13          1HD1      LEU  13   0.212  11.513  11.513
   75   2HD1  LEU  13          3HD1      LEU  13  -1.014  10.276  10.276
   76   3HD1  LEU  13          2HD1      LEU  13  -0.878  11.046  11.046
   77   1HD2  LEU  13          1HD2      LEU  13  -0.449   7.806   7.806
   78   2HD2  LEU  13          3HD2      LEU  13   0.540   7.785   7.785
   79   3HD2  LEU  13          2HD2      LEU  13  -0.959   8.714   8.714
   80    H    ILE  14           H        ILE  14   4.283   9.119   9.119
   81    HA   ILE  14           HA       ILE  14   3.866   7.116   7.116
   82    HB   ILE  14           HB       ILE  14   6.285   8.903   8.903
   83   1HG1  ILE  14          2HG1      ILE  14   4.009   9.425   9.425
   84   2HG1  ILE  14          1HG1      ILE  14   3.855   9.898   9.898
   85   1HG2  ILE  14          2HG2      ILE  14   5.241   7.216   7.216
   86   2HG2  ILE  14          1HG2      ILE  14   6.297   8.599   8.599
   87   3HG2  ILE  14          3HG2      ILE  14   6.865   7.246   7.246
   88   1HD1  ILE  14          1HD1      ILE  14   6.330  10.643  10.643
   89   2HD1  ILE  14          3HD1      ILE  14   4.864  11.604  11.604
   90   3HD1  ILE  14          2HD1      ILE  14   5.611  11.434  11.434
   91    H    SER  15           H        SER  15   6.560   7.622   7.622
   92    HA   SER  15           HA       SER  15   8.025   5.328   5.328
   93   1HB   SER  15          2HB       SER  15   8.962   5.543   5.543
   94   2HB   SER  15          1HB       SER  15   9.089   6.988   6.988
   95    HG   SER  15           HG       SER  15   7.273   6.410   6.410
   96    H    GLU  16           H        GLU  16   5.400   5.801   5.801
   97    HA   GLU  16           HA       GLU  16   5.536   3.168   3.168
   98   1HB   GLU  16          2HB       GLU  16   4.384   5.291   5.291
   99   2HB   GLU  16          1HB       GLU  16   3.023   4.818   4.818
  100   1HG   GLU  16          2HG       GLU  16   2.528   3.696   3.696
  101   2HG   GLU  16          1HG       GLU  16   3.397   2.453   2.453
  102    H    GLU  17           H        GLU  17   3.357   4.704   4.704
  103    HA   GLU  17           HA       GLU  17   1.846   2.397   2.397
  104   1HB   GLU  17          2HB       GLU  17   1.233   4.759   4.759
  105   2HB   GLU  17          1HB       GLU  17   2.449   4.673   4.673
  106   1HG   GLU  17          2HG       GLU  17   1.156   2.411   2.411
  107   2HG   GLU  17          1HG       GLU  17  -0.173   3.258   3.258
  108    H    ASP  18           H        ASP  18   4.886   3.636   3.636
  109    HA   ASP  18           HA       ASP  18   5.140   2.004   2.004
  110   1HB   ASP  18          2HB       ASP  18   6.618   3.953   3.953
  111   2HB   ASP  18          1HB       ASP  18   7.396   2.936   2.936
  112    H    LEU  19           H        LEU  19   5.941   1.442   1.442
  113    HA   LEU  19           HA       LEU  19   7.294  -1.027  -1.027
  114   1HB   LEU  19          2HB       LEU  19   7.140   0.524   0.524
  115   2HB   LEU  19          1HB       LEU  19   5.710  -0.440  -0.440
  116    HG   LEU  19           HG       LEU  19   8.214  -1.875  -1.875
  117   1HD1  LEU  19          1HD1      LEU  19   7.680  -0.730  -0.730
  118   2HD1  LEU  19          3HD1      LEU  19   8.979  -1.851  -1.851
  119   3HD1  LEU  19          2HD1      LEU  19   8.972  -0.223  -0.223
  120   1HD2  LEU  19          3HD2      LEU  19   5.755  -2.360  -2.360
  121   2HD2  LEU  19          2HD2      LEU  19   6.427  -3.341  -3.341
  122   3HD2  LEU  19          1HD2      LEU  19   7.201  -3.328  -3.328
  123    H    LEU  20           H        LEU  20   3.912  -0.159  -0.159
  124    HA   LEU  20           HA       LEU  20   2.982  -2.857  -2.857
  125   1HB   LEU  20          2HB       LEU  20   1.698  -0.181  -0.181
  126   2HB   LEU  20          1HB       LEU  20   0.742  -1.631  -1.631
  127    HG   LEU  20           HG       LEU  20   2.312  -1.140  -1.140
  128   1HD1  LEU  20          3HD1      LEU  20  -0.656  -0.837  -0.837
  129   2HD1  LEU  20          2HD1      LEU  20   0.112  -0.693  -0.693
  130   3HD1  LEU  20          1HD1      LEU  20   0.470   0.483   0.483
  131   1HD2  LEU  20          1HD2      LEU  20   0.439  -3.282  -3.282
  132   2HD2  LEU  20          3HD2      LEU  20   2.013  -3.466  -3.466
  133   3HD2  LEU  20          2HD2      LEU  20   0.612  -2.978  -2.978
  134    H    ARG  21           H        ARG  21   3.492  -0.652  -0.652
  135    HA   ARG  21           HA       ARG  21   1.969  -1.985  -1.985
  136   1HB   ARG  21          2HB       ARG  21   4.389  -0.197  -0.197
  137   2HB   ARG  21          1HB       ARG  21   3.698  -0.925  -0.925
  138   1HG   ARG  21          2HG       ARG  21   1.451   0.024   0.024
  139   2HG   ARG  21          1HG       ARG  21   2.356   0.965   0.965
  140   1HD   ARG  21          2HD       ARG  21   2.546   1.104   1.104
  141   2HD   ARG  21          1HD       ARG  21   2.072   2.376   2.376
  142    HE   ARG  21           HE       ARG  21   4.338   2.701   2.701
  143   1HH1  ARG  21          1HH1      ARG  21   3.970   0.070   0.070
  144   2HH1  ARG  21          2HH1      ARG  21   5.649   0.051   0.051
  145   1HH2  ARG  21          1HH2      ARG  21   6.510   2.624   2.624
  146   2HH2  ARG  21          2HH2      ARG  21   7.072   1.476   1.476
  147    H    LYS  22           H        LYS  22   5.431  -2.238  -2.238
  148    HA   LYS  22           HA       LYS  22   6.042  -4.271  -4.271
  149   1HB   LYS  22          2HB       LYS  22   8.025  -4.708  -4.708
  150   2HB   LYS  22          1HB       LYS  22   7.820  -2.999  -2.999
  151   1HG   LYS  22          2HG       LYS  22   6.845  -2.557  -2.557
  152   2HG   LYS  22          1HG       LYS  22   6.786  -4.278  -4.278
  153   1HD   LYS  22          2HD       LYS  22   9.419  -4.038  -4.038
  154   2HD   LYS  22          1HD       LYS  22   9.097  -2.409  -2.409
  155   1HE   LYS  22          2HE       LYS  22   7.892  -3.581  -3.581
  156   2HE   LYS  22          1HE       LYS  22   8.743  -5.033  -5.033
  157   1HZ   LYS  22          2HZ       LYS  22  10.125  -2.465  -2.465
  158   2HZ   LYS  22          1HZ       LYS  22   9.903  -3.650  -3.650
  159   3HZ   LYS  22          3HZ       LYS  22  10.818  -4.005  -4.005
  160    H    ARG  23           H        ARG  23   4.662  -4.351  -4.351
  161    HA   ARG  23           HA       ARG  23   5.019  -7.142  -7.142
  162   1HB   ARG  23          2HB       ARG  23   4.284  -5.130  -5.130
  163   2HB   ARG  23          1HB       ARG  23   2.679  -5.731  -5.731
  164   1HG   ARG  23          2HG       ARG  23   4.768  -7.726  -7.726
  165   2HG   ARG  23          1HG       ARG  23   4.035  -6.756  -6.756
  166   1HD   ARG  23          2HD       ARG  23   1.923  -7.649  -7.649
  167   2HD   ARG  23          1HD       ARG  23   2.244  -8.030  -8.030
  168    HE   ARG  23           HE       ARG  23   2.992 -10.107 -10.107
  169   1HH1  ARG  23          1HH1      ARG  23   3.108  -7.895  -7.895
  170   2HH1  ARG  23          2HH1      ARG  23   3.564  -9.124  -9.124
  171   1HH2  ARG  23          1HH2      ARG  23   3.585 -11.678 -11.678
  172   2HH2  ARG  23          2HH2      ARG  23   3.832 -11.248 -11.248
  173    H    ARG  24           H        ARG  24   2.323  -5.198  -5.198
  174    HA   ARG  24           HA       ARG  24   0.572  -7.418  -7.418
  175   1HB   ARG  24          2HB       ARG  24  -0.157  -5.013  -5.013
  176   2HB   ARG  24          1HB       ARG  24   0.500  -4.758  -4.758
  177   1HG   ARG  24          2HG       ARG  24  -1.072  -6.190  -6.190
  178   2HG   ARG  24          1HG       ARG  24  -1.452  -6.990  -6.990
  179   1HD   ARG  24          2HD       ARG  24  -3.284  -5.504  -5.504
  180   2HD   ARG  24          1HD       ARG  24  -2.444  -4.854  -4.854
  181    HE   ARG  24           HE       ARG  24  -1.227  -3.623  -3.623
  182   1HH1  ARG  24          1HH1      ARG  24  -4.545  -3.957  -3.957
  183   2HH1  ARG  24          2HH1      ARG  24  -5.033  -2.440  -2.440
  184   1HH2  ARG  24          1HH2      ARG  24  -1.904  -1.653  -1.653
  185   2HH2  ARG  24          2HH2      ARG  24  -3.552  -1.144  -1.144
  186    H    GLU  25           H        GLU  25   3.058  -5.858  -5.858
  187    HA   GLU  25           HA       GLU  25   2.396  -6.862  -6.862
  188   1HB   GLU  25          2HB       GLU  25   4.309  -5.195  -5.195
  189   2HB   GLU  25          1HB       GLU  25   5.273  -6.667  -6.667
  190   1HG   GLU  25          2HG       GLU  25   4.997  -6.809  -6.809
  191   2HG   GLU  25          1HG       GLU  25   3.445  -5.972  -5.972
  192    H    GLN  26           H        GLN  26   4.302  -8.240  -8.240
  193    HA   GLN  26           HA       GLN  26   5.164 -10.558 -10.558
  194   1HB   GLN  26          2HB       GLN  26   4.932  -9.908  -9.908
  195   2HB   GLN  26          1HB       GLN  26   5.500 -11.476 -11.476
  196   1HG   GLN  26          2HG       GLN  26   6.738  -9.029  -9.029
  197   2HG   GLN  26          1HG       GLN  26   7.199  -9.473  -9.473
  198   1HE2  GLN  26          2HE2      GLN  26   9.039 -11.365 -11.365
  199   2HE2  GLN  26          1HE2      GLN  26   8.384  -9.801  -9.801
  200    H    LEU  27           H        LEU  27   2.561 -10.024 -10.024
  201    HA   LEU  27           HA       LEU  27   1.491 -12.637 -12.637
  202   1HB   LEU  27          2HB       LEU  27   0.077 -10.033 -10.033
  203   2HB   LEU  27          1HB       LEU  27  -0.529 -11.650 -11.650
  204    HG   LEU  27           HG       LEU  27   2.195 -10.833 -10.833
  205   1HD1  LEU  27          3HD1      LEU  27  -0.478 -10.110 -10.110
  206   2HD1  LEU  27          2HD1      LEU  27   1.029 -10.129 -10.129
  207   3HD1  LEU  27          1HD1      LEU  27   0.833  -9.015  -9.015
  208   1HD2  LEU  27          2HD2      LEU  27   1.225 -13.200 -13.200
  209   2HD2  LEU  27          1HD2      LEU  27   1.795 -12.523 -12.523
  210   3HD2  LEU  27          3HD2      LEU  27   0.068 -12.561 -12.561
  211    H    LYS  28           H        LYS  28   0.967  -9.760  -9.760
  212    HA   LYS  28           HA       LYS  28  -1.293 -10.820 -10.820
  213   1HB   LYS  28          2HB       LYS  28  -0.822  -8.365  -8.365
  214   2HB   LYS  28          1HB       LYS  28   0.526  -8.554  -8.554
  215   1HG   LYS  28          2HG       LYS  28  -1.202  -7.914  -7.914
  216   2HG   LYS  28          1HG       LYS  28  -1.273  -9.671  -9.671
  217   1HD   LYS  28          2HD       LYS  28  -3.489  -9.315  -9.315
  218   2HD   LYS  28          1HD       LYS  28  -2.895  -9.296  -9.296
  219   1HE   LYS  28          2HE       LYS  28  -2.990  -6.779  -6.779
  220   2HE   LYS  28          1HE       LYS  28  -4.391  -7.327  -7.327
  221   1HZ   LYS  28          1HZ       LYS  28  -2.737  -7.482  -7.482
  222   2HZ   LYS  28          3HZ       LYS  28  -1.745  -6.480  -6.480
  223   3HZ   LYS  28          2HZ       LYS  28  -3.286  -5.943  -5.943
  224    H    HIS  29           H        HIS  29   2.185 -10.824 -10.824
  225    HA   HIS  29           HA       HIS  29   2.314 -11.522 -11.522
  226   1HB   HIS  29          2HB       HIS  29   4.162 -11.752 -11.752
  227   2HB   HIS  29          1HB       HIS  29   4.539 -12.672 -12.672
  228    HD1  HIS  29           HD1      HIS  29   3.647 -10.730 -10.730
  229    HD2  HIS  29           HD2      HIS  29   5.801  -9.526  -9.526
  230    HE1  HIS  29           HE1      HIS  29   4.785  -8.555  -8.555
  231    H    LYS  30           H        LYS  30   1.754 -13.397 -13.397
  232    HA   LYS  30           HA       LYS  30   1.963 -15.931 -15.931
  233   1HB   LYS  30          2HB       LYS  30   1.476 -15.196 -15.196
  234   2HB   LYS  30          1HB       LYS  30   1.234 -16.842 -16.842
  235   1HG   LYS  30          2HG       LYS  30   3.800 -15.325 -15.325
  236   2HG   LYS  30          1HG       LYS  30   3.556 -16.307 -16.307
  237   1HD   LYS  30          2HD       LYS  30   2.885 -17.582 -17.582
  238   2HD   LYS  30          1HD       LYS  30   4.596 -17.316 -17.316
  239   1HE   LYS  30          2HE       LYS  30   4.033 -18.350 -18.350
  240   2HE   LYS  30          1HE       LYS  30   2.619 -19.003 -19.003
  241   1HZ   LYS  30          3HZ       LYS  30   4.221 -19.850 -19.850
  242   2HZ   LYS  30          2HZ       LYS  30   5.475 -19.453 -19.453
  243   3HZ   LYS  30          1HZ       LYS  30   4.309 -20.607 -20.607
  244    H    LEU  31           H        LEU  31  -0.472 -13.732 -13.732
  245    HA   LEU  31           HA       LEU  31  -2.649 -15.616 -15.616
  246   1HB   LEU  31          2HB       LEU  31  -2.373 -13.372 -13.372
  247   2HB   LEU  31          1HB       LEU  31  -3.252 -12.718 -12.718
  248    HG   LEU  31           HG       LEU  31  -4.707 -14.933 -14.933
  249   1HD1  LEU  31          1HD1      LEU  31  -3.012 -15.284 -15.284
  250   2HD1  LEU  31          3HD1      LEU  31  -4.218 -14.283 -14.283
  251   3HD1  LEU  31          2HD1      LEU  31  -4.694 -15.810 -15.810
  252   1HD2  LEU  31          1HD2      LEU  31  -4.833 -12.193 -12.193
  253   2HD2  LEU  31          3HD2      LEU  31  -5.959 -13.002 -13.002
  254   3HD2  LEU  31          2HD2      LEU  31  -5.971 -13.382 -13.382
  255    H    GLU  32           H        GLU  32  -1.203 -12.974 -12.974
  256    HA   GLU  32           HA       GLU  32  -3.207 -12.651 -12.651
  257   1HB   GLU  32          2HB       GLU  32  -1.275 -11.092 -11.092
  258   2HB   GLU  32          1HB       GLU  32  -0.238 -12.265 -12.265
  259   1HG   GLU  32          2HG       GLU  32  -1.741 -12.137 -12.137
  260   2HG   GLU  32          1HG       GLU  32  -2.647 -10.859 -10.859
  261    H    GLN  33           H        GLN  33  -0.041 -14.237 -14.237
  262    HA   GLN  33           HA       GLN  33  -1.287 -15.879 -15.879
  263   1HB   GLN  33          2HB       GLN  33   1.076 -16.415 -16.415
  264   2HB   GLN  33          1HB       GLN  33   0.692 -14.696 -14.696
  265   1HG   GLN  33          2HG       GLN  33   1.926 -14.171 -14.171
  266   2HG   GLN  33          1HG       GLN  33   1.806 -15.807 -15.807
  267   1HE2  GLN  33          2HE2      GLN  33   4.503 -17.062 -17.062
  268   2HE2  GLN  33          1HE2      GLN  33   3.045 -17.531 -17.531
  269    H    LEU  34           H        LEU  34  -1.636 -16.411 -16.411
  270    HA   LEU  34           HA       LEU  34  -1.659 -18.214 -18.214
  271   1HB   LEU  34          2HB       LEU  34  -1.168 -19.550 -19.550
  272   2HB   LEU  34          1HB       LEU  34  -1.217 -20.488 -20.488
  273    HG   LEU  34           HG       LEU  34  -3.431 -20.438 -20.438
  274   1HD1  LEU  34          1HD1      LEU  34  -3.038 -20.293 -20.293
  275   2HD1  LEU  34          3HD1      LEU  34  -3.680 -18.660 -18.660
  276   3HD1  LEU  34          2HD1      LEU  34  -4.663 -20.048 -20.048
  277   1HD2  LEU  34          3HD2      LEU  34  -2.862 -17.975 -17.975
  278   2HD2  LEU  34          2HD2      LEU  34  -4.530 -18.498 -18.498
  279   3HD2  LEU  34          1HD2      LEU  34  -3.728 -17.525 -17.525
  280   1HN   NH2  35          1HT       LEU  34   1.001 -16.783 -16.783
  281   2HN   NH2  35          2HT       LEU  34   2.183 -17.857 -17.857
  282   1H    ACE   2          1HA       ACE   2   3.152  27.125  27.125
  283   2H    ACE   2          2HA       ACE   2   1.399  27.107  27.107
  284   3H    ACE   2          3HA       ACE   2   2.120  26.720  26.720
  285    H    CYS   3           H        CYS   3   0.461  25.281  25.281
  286    HA   CYS   3           HA       CYS   3   1.928  22.733  22.733
  287   1HB   CYS   3          2HB       CYS   3   1.232  22.151  22.151
  288   2HB   CYS   3          1HB       CYS   3   2.389  23.480  23.480
  289    H    GLY   4           H        GLY   4   0.676  20.972  20.972
  290   1HA   GLY   4          2HA       GLY   4  -2.253  21.252  21.252
  291   2HA   GLY   4          1HA       GLY   4  -1.535  20.788  20.788
  292    H    GLY   5           H        GLY   5  -3.351  19.125  19.125
  293   1HA   GLY   5          2HA       GLY   5  -3.653  16.908  16.908
  294   2HA   GLY   5          1HA       GLY   5  -1.965  16.663  16.663
  295    H    MET   6           H        MET   6  -3.086  18.881  18.881
  296    HA   MET   6           HA       MET   6  -1.305  17.776  17.776
  297   1HB   MET   6          2HB       MET   6  -2.023  20.193  20.193
  298   2HB   MET   6          1HB       MET   6  -3.599  19.681  19.681
  299   1HG   MET   6          2HG       MET   6  -2.425  18.626  18.626
  300   2HG   MET   6          1HG       MET   6  -0.926  19.358  19.358
  301   1HE   MET   6          1HE       MET   6  -4.576  19.900  19.900
  302   2HE   MET   6          3HE       MET   6  -3.857  19.830  19.830
  303   3HE   MET   6          2HE       MET   6  -4.618  21.315  21.315
  304    H    ARG   7           H        ARG   7  -4.851  18.166  18.166
  305    HA   ARG   7           HA       ARG   7  -5.123  16.172  16.172
  306   1HB   ARG   7          2HB       ARG   7  -6.666  18.204  18.204
  307   2HB   ARG   7          1HB       ARG   7  -7.400  17.145  17.145
  308   1HG   ARG   7          2HG       ARG   7  -8.267  15.711  15.711
  309   2HG   ARG   7          1HG       ARG   7  -6.967  16.028  16.028
  310   1HD   ARG   7          2HD       ARG   7  -9.113  16.996  16.996
  311   2HD   ARG   7          1HD       ARG   7  -7.898  18.240  18.240
  312    HE   ARG   7           HE       ARG   7  -9.460  17.839  17.839
  313   1HH1  ARG   7          1HH1      ARG   7  -9.610  19.244  19.244
  314   2HH1  ARG   7          2HH1      ARG   7 -10.795  20.421  20.421
  315   1HH2  ARG   7          1HH2      ARG   7 -11.006  19.389  19.389
  316   2HH2  ARG   7          2HH2      ARG   7 -11.580  20.504  20.504
  317    H    ARG   8           H        ARG   8  -5.431  16.261  16.261
  318    HA   ARG   8           HA       ARG   8  -6.799  13.825  13.825
  319   1HB   ARG   8          2HB       ARG   8  -6.376  15.565  15.565
  320   2HB   ARG   8          1HB       ARG   8  -4.704  15.006  15.006
  321   1HG   ARG   8          2HG       ARG   8  -5.309  12.895  12.895
  322   2HG   ARG   8          1HG       ARG   8  -6.978  13.055  13.055
  323   1HD   ARG   8          2HD       ARG   8  -7.480  14.660  14.660
  324   2HD   ARG   8          1HD       ARG   8  -5.779  14.863  14.863
  325    HE   ARG   8           HE       ARG   8  -6.576  12.155  12.155
  326   1HH1  ARG   8          1HH1      ARG   8  -6.870  15.349  15.349
  327   2HH1  ARG   8          2HH1      ARG   8  -7.087  14.745  14.745
  328   1HH2  ARG   8          1HH2      ARG   8  -6.861  11.413  11.413
  329   2HH2  ARG   8          2HH2      ARG   8  -7.083  12.536  12.536
  330    H    LYS   9           H        LYS   9  -3.420  14.576  14.576
  331    HA   LYS   9           HA       LYS   9  -2.450  11.940  11.940
  332   1HB   LYS   9          2HB       LYS   9  -1.274  14.390  14.390
  333   2HB   LYS   9          1HB       LYS   9  -0.426  12.846  12.846
  334   1HG   LYS   9          2HG       LYS   9  -1.455  13.711  13.711
  335   2HG   LYS   9          1HG       LYS   9   0.007  14.475  14.475
  336   1HD   LYS   9          2HD       LYS   9   1.196  12.451  12.451
  337   2HD   LYS   9          1HD       LYS   9  -0.276  11.478  11.478
  338   1HE   LYS   9          2HE       LYS   9  -0.534  11.654  11.654
  339   2HE   LYS   9          1HE       LYS   9   0.174  13.268  13.268
  340   1HZ   LYS   9          2HZ       LYS   9   1.727  10.796  10.796
  341   2HZ   LYS   9          1HZ       LYS   9   1.576  11.507  11.507
  342   3HZ   LYS   9          3HZ       LYS   9   2.342  12.354  12.354
  343    H    ASN  10           H        ASN  10  -2.994  13.748  13.748
  344    HA   ASN  10           HA       ASN  10  -2.320  11.635  11.635
  345   1HB   ASN  10          2HB       ASN  10  -3.862  14.184  14.184
  346   2HB   ASN  10          1HB       ASN  10  -3.963  12.992  12.992
  347   1HD2  ASN  10          2HD2      ASN  10  -0.541  15.120  15.120
  348   2HD2  ASN  10          1HD2      ASN  10  -1.852  15.305  15.305
  349    H    ASP  11           H        ASP  11  -5.340  12.578  12.578
  350    HA   ASP  11           HA       ASP  11  -7.078  10.871  10.871
  351   1HB   ASP  11          2HB       ASP  11  -7.786  12.730  12.730
  352   2HB   ASP  11          1HB       ASP  11  -7.362  11.685  11.685
  353    H    THR  12           H        THR  12  -5.244  10.403  10.403
  354    HA   THR  12           HA       THR  12  -6.173   7.703   7.703
  355    HB   THR  12           HB       THR  12  -4.544   7.609   7.609
  356    HG1  THR  12           HG1      THR  12  -3.687  10.134  10.134
  357   1HG2  THR  12          2HG2      THR  12  -6.237  10.060  10.060
  358   2HG2  THR  12          1HG2      THR  12  -5.199   9.920   9.920
  359   3HG2  THR  12          3HG2      THR  12  -6.440   8.705   8.705
  360    H    HIS  13           H        HIS  13  -3.429   9.260   9.260
  361    HA   HIS  13           HA       HIS  13  -1.728   7.026   7.026
  362   1HB   HIS  13          2HB       HIS  13  -2.026   9.619   9.619
  363   2HB   HIS  13          1HB       HIS  13  -1.005   8.363   8.363
  364    HD1  HIS  13           HD1      HIS  13   0.556   7.198   7.198
  365    HD2  HIS  13           HD2      HIS  13  -0.453  11.242  11.242
  366    HE1  HIS  13           HE1      HIS  13   2.207   8.307   8.307
  367    H    GLN  14           H        GLN  14  -3.963   8.435   8.435
  368    HA   GLN  14           HA       GLN  14  -3.700   6.398   6.398
  369   1HB   GLN  14          2HB       GLN  14  -6.025   8.262   8.262
  370   2HB   GLN  14          1HB       GLN  14  -5.855   7.259   7.259
  371   1HG   GLN  14          2HG       GLN  14  -3.616   9.095   9.095
  372   2HG   GLN  14          1HG       GLN  14  -5.012   9.744   9.744
  373   1HE2  GLN  14          2HE2      GLN  14  -2.448   7.206   7.206
  374   2HE2  GLN  14          1HE2      GLN  14  -2.397   7.316   7.316
  375    H    GLN  15           H        GLN  15  -6.127   6.877   6.877
  376    HA   GLN  15           HA       GLN  15  -7.678   4.589   4.589
  377   1HB   GLN  15          2HB       GLN  15  -8.076   6.615   6.615
  378   2HB   GLN  15          1HB       GLN  15  -7.344   5.516   5.516
  379   1HG   GLN  15          2HG       GLN  15  -9.574   4.899   4.899
  380   2HG   GLN  15          1HG       GLN  15  -9.034   3.776   3.776
  381   1HE2  GLN  15          2HE2      GLN  15 -11.039   5.209   5.209
  382   2HE2  GLN  15          1HE2      GLN  15  -9.877   4.036   4.036
  383    H    ASP  16           H        ASP  16  -5.047   5.078   5.078
  384    HA   ASP  16           HA       ASP  16  -4.993   2.446   2.446
  385   1HB   ASP  16          2HB       ASP  16  -3.813   4.444   4.444
  386   2HB   ASP  16          1HB       ASP  16  -2.599   4.273   4.273
  387    H    ILE  17           H        ILE  17  -3.341   3.965   3.965
  388    HA   ILE  17           HA       ILE  17  -1.658   1.803   1.803
  389    HB   ILE  17           HB       ILE  17  -2.765   4.173   4.173
  390   1HG1  ILE  17          2HG1      ILE  17   0.097   3.311   3.311
  391   2HG1  ILE  17          1HG1      ILE  17  -0.803   4.226   4.226
  392   1HG2  ILE  17          3HG2      ILE  17  -1.442   1.753   1.753
  393   2HG2  ILE  17          2HG2      ILE  17  -1.026   3.343   3.343
  394   3HG2  ILE  17          1HG2      ILE  17  -2.699   2.788   2.788
  395   1HD1  ILE  17          1HD1      ILE  17  -1.318   5.912   5.912
  396   2HD1  ILE  17          3HD1      ILE  17  -0.122   5.069   5.069
  397   3HD1  ILE  17          2HD1      ILE  17   0.365   5.845   5.845
  398    H    ASP  18           H        ASP  18  -4.422   2.860   2.860
  399    HA   ASP  18           HA       ASP  18  -4.796   0.612   0.612
  400   1HB   ASP  18          2HB       ASP  18  -6.538   2.841   2.841
  401   2HB   ASP  18          1HB       ASP  18  -7.390   1.402   1.402
  402    H    ASP  19           H        ASP  19  -5.787   1.121   1.121
  403    HA   ASP  19           HA       ASP  19  -7.511  -1.179  -1.179
  404   1HB   ASP  19          2HB       ASP  19  -7.676   0.798   0.798
  405   2HB   ASP  19          1HB       ASP  19  -6.163   0.277   0.277
  406    H    LEU  20           H        LEU  20  -4.129  -0.485  -0.485
  407    HA   LEU  20           HA       LEU  20  -3.478  -2.873  -2.873
  408   1HB   LEU  20          2HB       LEU  20  -1.885  -0.884  -0.884
  409   2HB   LEU  20          1HB       LEU  20  -1.131  -2.369  -2.369
  410    HG   LEU  20           HG       LEU  20  -2.737  -0.692  -0.692
  411   1HD1  LEU  20          2HD1      LEU  20   0.020  -0.115  -0.115
  412   2HD1  LEU  20          1HD1      LEU  20  -0.421   0.346   0.346
  413   3HD1  LEU  20          3HD1      LEU  20  -1.314   1.006   1.006
  414   1HD2  LEU  20          3HD2      LEU  20  -1.804  -3.005  -3.005
  415   2HD2  LEU  20          2HD2      LEU  20  -1.312  -1.727  -1.727
  416   3HD2  LEU  20          1HD2      LEU  20  -0.196  -2.294  -2.294
  417    H    LYS  21           H        LYS  21  -3.469  -2.014  -2.014
  418    HA   LYS  21           HA       LYS  21  -2.356  -4.436  -4.436
  419   1HB   LYS  21          2HB       LYS  21  -3.872  -2.165  -2.165
  420   2HB   LYS  21          1HB       LYS  21  -3.802  -3.669  -3.669
  421   1HG   LYS  21          2HG       LYS  21  -1.365  -3.662  -3.662
  422   2HG   LYS  21          1HG       LYS  21  -1.382  -2.228  -2.228
  423   1HD   LYS  21          2HD       LYS  21  -2.434  -0.926  -0.926
  424   2HD   LYS  21          1HD       LYS  21  -2.482  -2.357  -2.357
  425   1HE   LYS  21          2HE       LYS  21  -0.185  -2.354  -2.354
  426   2HE   LYS  21          1HE       LYS  21   0.146  -1.509  -1.509
  427   1HZ   LYS  21          3HZ       LYS  21  -1.328  -0.195  -0.195
  428   2HZ   LYS  21          2HZ       LYS  21   0.372  -0.214  -0.214
  429   3HZ   LYS  21          1HZ       LYS  21  -0.493   0.518   0.518
  430    H    ARG  22           H        ARG  22  -5.670  -3.400  -3.400
  431    HA   ARG  22           HA       ARG  22  -6.934  -5.693  -5.693
  432   1HB   ARG  22          2HB       ARG  22  -7.807  -3.537  -3.537
  433   2HB   ARG  22          1HB       ARG  22  -8.842  -4.926  -4.926
  434   1HG   ARG  22          2HG       ARG  22  -8.716  -4.447  -4.447
  435   2HG   ARG  22          1HG       ARG  22  -7.719  -3.033  -3.033
  436   1HD   ARG  22          2HD       ARG  22  -9.749  -2.464  -2.464
  437   2HD   ARG  22          1HD       ARG  22 -10.632  -3.465  -3.465
  438    HE   ARG  22           HE       ARG  22  -9.646  -0.808  -0.808
  439   1HH1  ARG  22          1HH1      ARG  22 -10.335  -3.869  -3.869
  440   2HH1  ARG  22          2HH1      ARG  22 -10.577  -3.155  -3.155
  441   1HH2  ARG  22          1HH2      ARG  22  -9.968   0.082   0.082
  442   2HH2  ARG  22          2HH2      ARG  22 -10.372  -0.937  -0.937
  443    H    GLN  23           H        GLN  23  -5.750  -4.867  -4.867
  444    HA   GLN  23           HA       GLN  23  -6.811  -7.252  -7.252
  445   1HB   GLN  23          2HB       GLN  23  -6.332  -5.063  -5.063
  446   2HB   GLN  23          1HB       GLN  23  -4.622  -5.477  -5.477
  447   1HG   GLN  23          2HG       GLN  23  -5.444  -6.251  -6.251
  448   2HG   GLN  23          1HG       GLN  23  -5.142  -7.661  -7.661
  449   1HE2  GLN  23          2HE2      GLN  23  -8.420  -8.723  -8.723
  450   2HE2  GLN  23          1HE2      GLN  23  -6.761  -9.073  -9.073
  451    H    ASN  24           H        ASN  24  -3.603  -6.130  -6.130
  452    HA   ASN  24           HA       ASN  24  -2.148  -8.407  -8.407
  453   1HB   ASN  24          2HB       ASN  24  -1.628  -6.461  -6.461
  454   2HB   ASN  24          1HB       ASN  24  -0.469  -7.662  -7.662
  455   1HD2  ASN  24          2HD2      ASN  24   0.572  -4.836  -4.836
  456   2HD2  ASN  24          1HD2      ASN  24   0.835  -5.585  -5.585
  457    H    ALA  25           H        ALA  25  -4.064  -7.721  -7.721
  458    HA   ALA  25           HA       ALA  25  -3.148  -9.916  -9.916
  459   1HB   ALA  25          1HB       ALA  25  -5.542  -8.107  -8.107
  460   2HB   ALA  25          3HB       ALA  25  -5.474  -9.535  -9.535
  461   3HB   ALA  25          2HB       ALA  25  -4.235  -8.288  -8.288
  462    H    LEU  26           H        LEU  26  -6.165  -9.430  -9.430
  463    HA   LEU  26           HA       LEU  26  -7.140 -12.054 -12.054
  464   1HB   LEU  26          2HB       LEU  26  -7.722  -9.768  -9.768
  465   2HB   LEU  26          1HB       LEU  26  -8.275 -11.360 -11.360
  466    HG   LEU  26           HG       LEU  26 -10.010 -10.179 -10.179
  467   1HD1  LEU  26          2HD1      LEU  26  -9.436 -12.760 -12.760
  468   2HD1  LEU  26          1HD1      LEU  26  -9.045 -12.347 -12.347
  469   3HD1  LEU  26          3HD1      LEU  26 -10.666 -12.050 -12.050
  470   1HD2  LEU  26          2HD2      LEU  26  -8.017  -9.127  -9.127
  471   2HD2  LEU  26          1HD2      LEU  26  -9.659  -9.280  -9.280
  472   3HD2  LEU  26          3HD2      LEU  26  -8.439 -10.480 -10.480
  473    H    LEU  27           H        LEU  27  -4.901 -10.624 -10.624
  474    HA   LEU  27           HA       LEU  27  -4.884 -12.688 -12.688
  475   1HB   LEU  27          2HB       LEU  27  -2.879 -10.594 -10.594
  476   2HB   LEU  27          1HB       LEU  27  -2.479 -11.811 -11.811
  477    HG   LEU  27           HG       LEU  27  -4.996 -10.147 -10.147
  478   1HD1  LEU  27          1HD1      LEU  27  -2.271  -9.566  -9.566
  479   2HD1  LEU  27          3HD1      LEU  27  -3.756  -8.692  -8.692
  480   3HD1  LEU  27          2HD1      LEU  27  -3.070  -8.614  -8.614
  481   1HD2  LEU  27          2HD2      LEU  27  -4.309 -12.389 -12.389
  482   2HD2  LEU  27          1HD2      LEU  27  -5.236 -11.089 -11.089
  483   3HD2  LEU  27          3HD2      LEU  27  -3.496 -11.197 -11.197
  484    H    GLU  28           H        GLU  28  -2.695 -12.080 -12.080
  485    HA   GLU  28           HA       GLU  28  -1.108 -14.376 -14.376
  486   1HB   GLU  28          2HB       GLU  28  -0.606 -12.440 -12.440
  487   2HB   GLU  28          1HB       GLU  28  -1.864 -13.016 -13.016
  488   1HG   GLU  28          2HG       GLU  28  -0.613 -14.785 -14.785
  489   2HG   GLU  28          1HG       GLU  28   0.146 -15.032 -15.032
  490    H    GLN  29           H        GLN  29  -4.070 -13.851 -13.851
  491    HA   GLN  29           HA       GLN  29  -4.242 -16.325 -16.325
  492   1HB   GLN  29          2HB       GLN  29  -6.179 -14.214 -14.214
  493   2HB   GLN  29          1HB       GLN  29  -6.859 -15.803 -15.803
  494   1HG   GLN  29          2HG       GLN  29  -6.830 -14.817 -14.817
  495   2HG   GLN  29          1HG       GLN  29  -5.308 -15.707 -15.707
  496   1HE2  GLN  29          2HE2      GLN  29  -3.317 -12.805 -12.805
  497   2HE2  GLN  29          1HE2      GLN  29  -3.361 -14.501 -14.501
  498    H    GLN  30           H        GLN  30  -4.932 -15.448 -15.448
  499    HA   GLN  30           HA       GLN  30  -6.167 -18.042 -18.042
  500   1HB   GLN  30          2HB       GLN  30  -6.722 -15.633 -15.633
  501   2HB   GLN  30          1HB       GLN  30  -5.496 -16.150 -16.150
  502   1HG   GLN  30          2HG       GLN  30  -7.492 -16.983 -16.983
  503   2HG   GLN  30          1HG       GLN  30  -6.833 -18.380 -18.380
  504   1HE2  GLN  30          2HE2      GLN  30 -10.465 -17.807 -17.807
  505   2HE2  GLN  30          1HE2      GLN  30  -9.688 -17.914 -17.914
  506    H    VAL  31           H        VAL  31  -3.180 -16.284 -16.284
  507    HA   VAL  31           HA       VAL  31  -2.048 -18.114 -18.114
  508    HB   VAL  31           HB       VAL  31  -0.652 -16.152 -16.152
  509   1HG1  VAL  31          3HG1      VAL  31   0.227 -17.932 -17.932
  510   2HG1  VAL  31          2HG1      VAL  31   0.891 -16.298 -16.298
  511   3HG1  VAL  31          1HG1      VAL  31   1.126 -17.357 -17.357
  512   1HG2  VAL  31          2HG2      VAL  31  -2.502 -15.574 -15.574
  513   2HG2  VAL  31          1HG2      VAL  31  -1.240 -14.478 -14.478
  514   3HG2  VAL  31          3HG2      VAL  31  -0.970 -15.476 -15.476
  515    H    ARG  32           H        ARG  32  -2.113 -17.865 -17.865
  516    HA   ARG  32           HA       ARG  32  -0.031 -19.666 -19.666
  517   1HB   ARG  32          2HB       ARG  32  -1.236 -19.982 -19.982
  518   2HB   ARG  32          1HB       ARG  32  -0.954 -18.293 -18.293
  519   1HG   ARG  32          2HG       ARG  32  -3.175 -17.857 -17.857
  520   2HG   ARG  32          1HG       ARG  32  -3.498 -19.441 -19.441
  521   1HD   ARG  32          2HD       ARG  32  -3.110 -18.820 -18.820
  522   2HD   ARG  32          1HD       ARG  32  -4.618 -19.277 -19.277
  523    HE   ARG  32           HE       ARG  32  -2.910 -21.351 -21.351
  524   1HH1  ARG  32          1HH1      ARG  32  -3.983 -19.767 -19.767
  525   2HH1  ARG  32          2HH1      ARG  32  -3.819 -21.193 -21.193
  526   1HH2  ARG  32          1HH2      ARG  32  -2.713 -23.187 -23.187
  527   2HH2  ARG  32          2HH2      ARG  32  -3.107 -23.113 -23.113
  528    H    ALA  33           H        ALA  33  -3.306 -20.185 -20.185
  529    HA   ALA  33           HA       ALA  33  -3.098 -23.069 -23.069
  530   1HB   ALA  33          2HB       ALA  33  -5.192 -21.791 -21.791
  531   2HB   ALA  33          1HB       ALA  33  -5.475 -21.569 -21.569
  532   3HB   ALA  33          3HB       ALA  33  -5.453 -23.192 -23.192
  533    H    LEU  34           H        LEU  34  -1.448 -21.846 -21.846
  534    HA   LEU  34           HA       LEU  34  -2.375 -23.406 -23.406
  535   1HB   LEU  34          2HB       LEU  34  -1.838 -20.474 -20.474
  536   2HB   LEU  34          1HB       LEU  34  -1.295 -21.379 -21.379
  537    HG   LEU  34           HG       LEU  34  -4.088 -21.747 -21.747
  538   1HD1  LEU  34          2HD1      LEU  34  -3.152 -19.618 -19.618
  539   2HD1  LEU  34          1HD1      LEU  34  -4.836 -20.001 -20.001
  540   3HD1  LEU  34          3HD1      LEU  34  -3.799 -19.326 -19.326
  541   1HD2  LEU  34          1HD2      LEU  34  -3.026 -23.268 -23.268
  542   2HD2  LEU  34          3HD2      LEU  34  -4.527 -22.495 -22.495
  543   3HD2  LEU  34          2HD2      LEU  34  -2.980 -21.872 -21.872
  544   1HN   NH2  35          1HT       LEU  34  -0.543 -23.950 -23.950
  545   2HN   NH2  35          2HT       LEU  34   1.040 -23.977 -23.977

  Start of MODEL    9
    1   1H    ACE   2          1HA       ACE   2   0.014  26.526  26.526
    2   2H    ACE   2          2HA       ACE   2  -1.601  27.186  27.186
    3   3H    ACE   2          3HA       ACE   2  -0.683  27.625  27.625
    4    H    CYS   3           H        CYS   3  -0.332  24.383  24.383
    5    HA   CYS   3           HA       CYS   3  -2.579  23.143  23.143
    6   1HB   CYS   3          2HB       CYS   3  -1.582  22.339  22.339
    7   2HB   CYS   3          1HB       CYS   3  -1.916  24.069  24.069
    8    H    GLY   4           H        GLY   4   0.919  23.002  23.002
    9   1HA   GLY   4          2HA       GLY   4   1.675  21.320  21.320
   10   2HA   GLY   4          1HA       GLY   4   0.611  20.177  20.177
   11    H    GLY   5           H        GLY   5   1.866  18.718  18.718
   12   1HA   GLY   5          2HA       GLY   5   3.942  19.694  19.694
   13   2HA   GLY   5          1HA       GLY   5   4.330  18.415  18.415
   14    H    VAL   6           H        VAL   6   2.019  19.254  19.254
   15    HA   VAL   6           HA       VAL   6   1.180  16.542  16.542
   16    HB   VAL   6           HB       VAL   6   0.925  18.879  18.879
   17   1HG1  VAL   6          1HG1      VAL   6   0.459  16.615  16.615
   18   2HG1  VAL   6          3HG1      VAL   6  -0.724  16.358  16.358
   19   3HG1  VAL   6          2HG1      VAL   6  -0.994  17.614  17.614
   20   1HG2  VAL   6          1HG2      VAL   6  -0.930  17.963  17.963
   21   2HG2  VAL   6          3HG2      VAL   6   0.020  19.450  19.450
   22   3HG2  VAL   6          2HG2      VAL   6  -1.281  19.238  19.238
   23    H    GLN   7           H        GLN   7   3.643  18.646  18.646
   24    HA   GLN   7           HA       GLN   7   4.285  17.158  17.158
   25   1HB   GLN   7          2HB       GLN   7   5.750  19.141  19.141
   26   2HB   GLN   7          1HB       GLN   7   6.644  18.227  18.227
   27   1HG   GLN   7          2HG       GLN   7   5.425  19.138  19.138
   28   2HG   GLN   7          1HG       GLN   7   4.055  19.559  19.559
   29   1HE2  GLN   7          2HE2      GLN   7   5.672  22.537  22.537
   30   2HE2  GLN   7          1HE2      GLN   7   4.657  21.274  21.274
   31    H    ALA   8           H        ALA   8   5.562  17.027  17.027
   32    HA   ALA   8           HA       ALA   8   7.499  15.017  15.017
   33   1HB   ALA   8          2HB       ALA   8   6.038  15.862  15.862
   34   2HB   ALA   8          1HB       ALA   8   7.298  14.628  14.628
   35   3HB   ALA   8          3HB       ALA   8   7.679  16.282  16.282
   36    H    GLU   9           H        GLU   9   4.175  14.841  14.841
   37    HA   GLU   9           HA       GLU   9   4.089  12.037  12.037
   38   1HB   GLU   9          2HB       GLU   9   2.426  13.852  13.852
   39   2HB   GLU   9          1HB       GLU   9   1.663  13.649  13.649
   40   1HG   GLU   9          2HG       GLU   9   1.436  11.227  11.227
   41   2HG   GLU   9          1HG       GLU   9   2.195  11.428  11.428
   42    H    GLU  10           H        GLU  10   3.534  14.138  14.138
   43    HA   GLU  10           HA       GLU  10   2.287  12.256  12.256
   44   1HB   GLU  10          2HB       GLU  10   2.415  14.746  14.746
   45   2HB   GLU  10          1HB       GLU  10   4.100  14.517  14.517
   46   1HG   GLU  10          2HG       GLU  10   3.194  12.735  12.735
   47   2HG   GLU  10          1HG       GLU  10   1.617  13.469  13.469
   48    H    GLN  11           H        GLN  11   5.677  13.081  13.081
   49    HA   GLN  11           HA       GLN  11   6.808  11.486  11.486
   50   1HB   GLN  11          2HB       GLN  11   7.803  12.704  12.704
   51   2HB   GLN  11          1HB       GLN  11   8.782  11.446  11.446
   52   1HG   GLN  11          2HG       GLN  11   8.585  12.738  12.738
   53   2HG   GLN  11          1HG       GLN  11   7.870  14.053  14.053
   54   1HE2  GLN  11          2HE2      GLN  11  11.015  14.454  14.454
   55   2HE2  GLN  11          1HE2      GLN  11   9.379  14.191  14.191
   56    H    LYS  12           H        LYS  12   5.720  10.766  10.766
   57    HA   LYS  12           HA       LYS  12   6.858   8.115   8.115
   58   1HB   LYS  12          2HB       LYS  12   5.086   9.723   9.723
   59   2HB   LYS  12          1HB       LYS  12   5.073   7.968   7.968
   60   1HG   LYS  12          2HG       LYS  12   7.478   7.932   7.932
   61   2HG   LYS  12          1HG       LYS  12   7.589   9.660   9.660
   62   1HD   LYS  12          2HD       LYS  12   6.740  10.254  10.254
   63   2HD   LYS  12          1HD       LYS  12   5.695   8.836   8.836
   64   1HE   LYS  12          2HE       LYS  12   7.518   8.701   8.701
   65   2HE   LYS  12          1HE       LYS  12   7.658   7.414   7.414
   66   1HZ   LYS  12          2HZ       LYS  12   9.104  10.001  10.001
   67   2HZ   LYS  12          1HZ       LYS  12   9.773   8.577   8.577
   68   3HZ   LYS  12          3HZ       LYS  12   9.325   8.641   8.641
   69    H    LEU  13           H        LEU  13   3.767   9.571   9.571
   70    HA   LEU  13           HA       LEU  13   2.212   7.210   7.210
   71   1HB   LEU  13          2HB       LEU  13   1.975   9.938   9.938
   72   2HB   LEU  13          1HB       LEU  13   0.898   8.652   8.652
   73    HG   LEU  13           HG       LEU  13   1.231   8.933   8.933
   74   1HD1  LEU  13          2HD1      LEU  13   1.068  11.295  11.295
   75   2HD1  LEU  13          1HD1      LEU  13  -0.483  10.866  10.866
   76   3HD1  LEU  13          3HD1      LEU  13  -0.279  10.816  10.816
   77   1HD2  LEU  13          1HD2      LEU  13  -0.878   8.183   8.183
   78   2HD2  LEU  13          3HD2      LEU  13  -0.339   7.311   7.311
   79   3HD2  LEU  13          2HD2      LEU  13  -1.386   8.722   8.722
   80    H    ILE  14           H        ILE  14   4.209   8.860   8.860
   81    HA   ILE  14           HA       ILE  14   3.507   7.195   7.195
   82    HB   ILE  14           HB       ILE  14   6.066   8.759   8.759
   83   1HG1  ILE  14          2HG1      ILE  14   3.687   9.698   9.698
   84   2HG1  ILE  14          1HG1      ILE  14   3.727   9.942   9.942
   85   1HG2  ILE  14          1HG2      ILE  14   4.729   7.501   7.501
   86   2HG2  ILE  14          3HG2      ILE  14   5.863   8.841   8.841
   87   3HG2  ILE  14          2HG2      ILE  14   6.397   7.324   7.324
   88   1HD1  ILE  14          2HD1      ILE  14   6.112  10.904  10.904
   89   2HD1  ILE  14          1HD1      ILE  14   5.575  11.056  11.056
   90   3HD1  ILE  14          3HD1      ILE  14   4.716  11.909  11.909
   91    H    SER  15           H        SER  15   6.418   7.259   7.259
   92    HA   SER  15           HA       SER  15   7.637   4.967   4.967
   93   1HB   SER  15          2HB       SER  15   8.872   4.874   4.874
   94   2HB   SER  15          1HB       SER  15   8.885   6.470   6.470
   95    HG   SER  15           HG       SER  15   7.536   5.538   5.538
   96    H    GLU  16           H        GLU  16   5.114   5.339   5.339
   97    HA   GLU  16           HA       GLU  16   5.215   2.680   2.680
   98   1HB   GLU  16          2HB       GLU  16   4.070   4.662   4.662
   99   2HB   GLU  16          1HB       GLU  16   2.778   4.466   4.466
  100   1HG   GLU  16          2HG       GLU  16   2.505   2.100   2.100
  101   2HG   GLU  16          1HG       GLU  16   3.712   2.389   2.389
  102    H    GLU  17           H        GLU  17   3.579   4.216   4.216
  103    HA   GLU  17           HA       GLU  17   1.863   1.999   1.999
  104   1HB   GLU  17          2HB       GLU  17   1.680   4.507   4.507
  105   2HB   GLU  17          1HB       GLU  17   2.722   3.994   3.994
  106   1HG   GLU  17          2HG       GLU  17   1.109   2.176   2.176
  107   2HG   GLU  17          1HG       GLU  17   0.048   2.776   2.776
  108    H    ASP  18           H        ASP  18   5.070   3.038   3.038
  109    HA   ASP  18           HA       ASP  18   5.414   1.286   1.286
  110   1HB   ASP  18          2HB       ASP  18   6.910   3.256   3.256
  111   2HB   ASP  18          1HB       ASP  18   7.668   2.071   2.071
  112    H    LEU  19           H        LEU  19   6.147   0.926   0.926
  113    HA   LEU  19           HA       LEU  19   7.344  -1.627  -1.627
  114   1HB   LEU  19          2HB       LEU  19   7.209   0.055   0.055
  115   2HB   LEU  19          1HB       LEU  19   5.706  -0.788  -0.788
  116    HG   LEU  19           HG       LEU  19   7.249  -2.933  -2.933
  117   1HD1  LEU  19          2HD1      LEU  19   9.191  -1.356  -1.356
  118   2HD1  LEU  19          1HD1      LEU  19   9.211  -0.944  -0.944
  119   3HD1  LEU  19          3HD1      LEU  19   9.521  -2.603  -2.603
  120   1HD2  LEU  19          1HD2      LEU  19   6.891  -1.177  -1.177
  121   2HD2  LEU  19          3HD2      LEU  19   6.154  -2.740  -2.740
  122   3HD2  LEU  19          2HD2      LEU  19   7.851  -2.653  -2.653
  123    H    LEU  20           H        LEU  20   3.991  -0.587  -0.587
  124    HA   LEU  20           HA       LEU  20   2.925  -3.212  -3.212
  125   1HB   LEU  20          2HB       LEU  20   1.799  -0.505  -0.505
  126   2HB   LEU  20          1HB       LEU  20   0.778  -1.905  -1.905
  127    HG   LEU  20           HG       LEU  20   2.252  -1.875  -1.875
  128   1HD1  LEU  20          1HD1      LEU  20   1.303   0.460   0.460
  129   2HD1  LEU  20          3HD1      LEU  20  -0.295  -0.284  -0.284
  130   3HD1  LEU  20          2HD1      LEU  20   0.690  -0.399  -0.399
  131   1HD2  LEU  20          2HD2      LEU  20  -0.247  -2.976  -2.976
  132   2HD2  LEU  20          1HD2      LEU  20   0.906  -3.738  -3.738
  133   3HD2  LEU  20          3HD2      LEU  20  -0.290  -2.604  -2.604
  134    H    ARG  21           H        ARG  21   3.632  -1.223  -1.223
  135    HA   ARG  21           HA       ARG  21   2.117  -2.596  -2.596
  136   1HB   ARG  21          2HB       ARG  21   4.534  -0.843  -0.843
  137   2HB   ARG  21          1HB       ARG  21   4.149  -1.779  -1.779
  138   1HG   ARG  21          2HG       ARG  21   2.239  -0.591  -0.591
  139   2HG   ARG  21          1HG       ARG  21   1.873  -0.365  -0.365
  140   1HD   ARG  21          2HD       ARG  21   2.512   1.756   1.756
  141   2HD   ARG  21          1HD       ARG  21   3.537   1.373   1.373
  142    HE   ARG  21           HE       ARG  21   5.318   1.167   1.167
  143   1HH1  ARG  21          1HH1      ARG  21   2.321   0.914   0.914
  144   2HH1  ARG  21          2HH1      ARG  21   3.111   0.890   0.890
  145   1HH2  ARG  21          1HH2      ARG  21   6.307   1.132   1.132
  146   2HH2  ARG  21          2HH2      ARG  21   5.348   1.012   1.012
  147    H    LYS  22           H        LYS  22   5.531  -2.994  -2.994
  148    HA   LYS  22           HA       LYS  22   6.063  -5.195  -5.195
  149   1HB   LYS  22          2HB       LYS  22   7.367  -3.994  -3.994
  150   2HB   LYS  22          1HB       LYS  22   7.837  -5.633  -5.633
  151   1HG   LYS  22          2HG       LYS  22   9.315  -4.100  -4.100
  152   2HG   LYS  22          1HG       LYS  22   8.222  -4.790  -4.790
  153   1HD   LYS  22          2HD       LYS  22   7.060  -2.816  -2.816
  154   2HD   LYS  22          1HD       LYS  22   7.381  -2.267  -2.267
  155   1HE   LYS  22          2HE       LYS  22   8.816  -0.872  -0.872
  156   2HE   LYS  22          1HE       LYS  22   9.895  -2.238  -2.238
  157   1HZ   LYS  22          1HZ       LYS  22   9.101  -3.121  -3.121
  158   2HZ   LYS  22          3HZ       LYS  22   8.372  -1.613  -1.613
  159   3HZ   LYS  22          2HZ       LYS  22  10.058  -1.719  -1.719
  160    H    ARG  23           H        ARG  23   4.680  -4.939  -4.939
  161    HA   ARG  23           HA       ARG  23   4.850  -7.706  -7.706
  162   1HB   ARG  23          2HB       ARG  23   3.255  -5.380  -5.380
  163   2HB   ARG  23          1HB       ARG  23   2.896  -7.018  -7.018
  164   1HG   ARG  23          2HG       ARG  23   5.755  -6.153  -6.153
  165   2HG   ARG  23          1HG       ARG  23   4.700  -5.504  -5.504
  166   1HD   ARG  23          2HD       ARG  23   4.822  -8.457  -8.457
  167   2HD   ARG  23          1HD       ARG  23   5.916  -7.700  -7.700
  168    HE   ARG  23           HE       ARG  23   3.130  -8.293  -8.293
  169   1HH1  ARG  23          1HH1      ARG  23   5.734  -6.124  -6.124
  170   2HH1  ARG  23          2HH1      ARG  23   5.028  -5.707  -5.707
  171   1HH2  ARG  23          1HH2      ARG  23   2.244  -7.722  -7.722
  172   2HH2  ARG  23          2HH2      ARG  23   3.069  -6.605  -6.605
  173    H    ARG  24           H        ARG  24   2.349  -5.681  -5.681
  174    HA   ARG  24           HA       ARG  24   0.313  -7.635  -7.635
  175   1HB   ARG  24          2HB       ARG  24   0.134  -5.105  -5.105
  176   2HB   ARG  24          1HB       ARG  24   0.688  -5.487  -5.487
  177   1HG   ARG  24          2HG       ARG  24  -1.192  -7.246  -7.246
  178   2HG   ARG  24          1HG       ARG  24  -1.828  -6.422  -6.422
  179   1HD   ARG  24          2HD       ARG  24  -2.208  -4.418  -4.418
  180   2HD   ARG  24          1HD       ARG  24  -1.128  -4.880  -4.880
  181    HE   ARG  24           HE       ARG  24  -3.914  -5.584  -5.584
  182   1HH1  ARG  24          1HH1      ARG  24  -0.833  -6.551  -6.551
  183   2HH1  ARG  24          2HH1      ARG  24  -1.554  -7.489  -7.489
  184   1HH2  ARG  24          1HH2      ARG  24  -4.812  -6.817  -6.817
  185   2HH2  ARG  24          2HH2      ARG  24  -3.788  -7.639  -7.639
  186    H    GLU  25           H        GLU  25   2.998  -6.864  -6.864
  187    HA   GLU  25           HA       GLU  25   2.179  -8.564  -8.564
  188   1HB   GLU  25          2HB       GLU  25   4.866  -7.398  -7.398
  189   2HB   GLU  25          1HB       GLU  25   4.595  -8.353  -8.353
  190   1HG   GLU  25          2HG       GLU  25   2.787  -6.742  -6.742
  191   2HG   GLU  25          1HG       GLU  25   3.233  -5.747  -5.747
  192    H    GLN  26           H        GLN  26   4.483  -8.939  -8.939
  193    HA   GLN  26           HA       GLN  26   5.273 -11.588 -11.588
  194   1HB   GLN  26          2HB       GLN  26   5.431  -9.976  -9.976
  195   2HB   GLN  26          1HB       GLN  26   5.995 -11.645 -11.645
  196   1HG   GLN  26          2HG       GLN  26   7.312 -10.843 -10.843
  197   2HG   GLN  26          1HG       GLN  26   7.048  -9.226  -9.226
  198   1HE2  GLN  26          2HE2      GLN  26   9.201 -11.813 -11.813
  199   2HE2  GLN  26          1HE2      GLN  26   7.881 -12.413 -12.413
  200    H    LEU  27           H        LEU  27   2.814 -10.257 -10.257
  201    HA   LEU  27           HA       LEU  27   1.992 -12.695 -12.695
  202   1HB   LEU  27          2HB       LEU  27   0.522 -10.094 -10.094
  203   2HB   LEU  27          1HB       LEU  27  -0.177 -11.451 -11.451
  204    HG   LEU  27           HG       LEU  27   2.536 -10.376 -10.376
  205   1HD1  LEU  27          1HD1      LEU  27   0.981  -8.459  -8.459
  206   2HD1  LEU  27          3HD1      LEU  27  -0.150  -9.382  -9.382
  207   3HD1  LEU  27          2HD1      LEU  27   1.421  -8.924  -8.924
  208   1HD2  LEU  27          2HD2      LEU  27   1.217 -12.578 -12.578
  209   2HD2  LEU  27          1HD2      LEU  27   2.266 -11.652 -11.652
  210   3HD2  LEU  27          3HD2      LEU  27   0.522 -11.403 -11.403
  211    H    LYS  28           H        LYS  28   0.891 -10.958 -10.958
  212    HA   LYS  28           HA       LYS  28  -1.212 -12.781 -12.781
  213   1HB   LYS  28          2HB       LYS  28  -1.032 -10.424 -10.424
  214   2HB   LYS  28          1HB       LYS  28   0.275 -10.975 -10.975
  215   1HG   LYS  28          2HG       LYS  28  -1.136 -12.281 -12.281
  216   2HG   LYS  28          1HG       LYS  28  -2.317 -12.482 -12.482
  217   1HD   LYS  28          2HD       LYS  28  -1.861  -9.707  -9.707
  218   2HD   LYS  28          1HD       LYS  28  -2.722 -10.802 -10.802
  219   1HE   LYS  28          2HE       LYS  28  -3.496 -10.546 -10.546
  220   2HE   LYS  28          1HE       LYS  28  -4.134  -9.441  -9.441
  221   1HZ   LYS  28          3HZ       LYS  28  -4.831 -11.453 -11.453
  222   2HZ   LYS  28          2HZ       LYS  28  -4.416 -12.392 -12.392
  223   3HZ   LYS  28          1HZ       LYS  28  -5.650 -11.230 -11.230
  224    H    HIS  29           H        HIS  29   2.204 -12.582 -12.582
  225    HA   HIS  29           HA       HIS  29   2.270 -14.466 -14.466
  226   1HB   HIS  29          2HB       HIS  29   4.302 -13.451 -13.451
  227   2HB   HIS  29          1HB       HIS  29   4.699 -14.809 -14.809
  228    HD1  HIS  29           HD1      HIS  29   3.287 -13.978 -13.978
  229    HD2  HIS  29           HD2      HIS  29   5.521 -11.329 -11.329
  230    HE1  HIS  29           HE1      HIS  29   3.979 -12.091 -12.091
  231    H    LYS  30           H        LYS  30   2.357 -14.809 -14.809
  232    HA   LYS  30           HA       LYS  30   2.880 -17.656 -17.656
  233   1HB   LYS  30          2HB       LYS  30   3.594 -16.158 -16.158
  234   2HB   LYS  30          1HB       LYS  30   1.893 -16.037 -16.037
  235   1HG   LYS  30          2HG       LYS  30   1.740 -18.364 -18.364
  236   2HG   LYS  30          1HG       LYS  30   3.262 -18.705 -18.705
  237   1HD   LYS  30          2HD       LYS  30   3.261 -16.824 -16.824
  238   2HD   LYS  30          1HD       LYS  30   3.197 -18.562 -18.562
  239   1HE   LYS  30          2HE       LYS  30   5.321 -18.917 -18.917
  240   2HE   LYS  30          1HE       LYS  30   5.207 -17.611 -17.611
  241   1HZ   LYS  30          1HZ       LYS  30   5.265 -17.017 -17.017
  242   2HZ   LYS  30          3HZ       LYS  30   6.710 -17.312 -17.312
  243   3HZ   LYS  30          2HZ       LYS  30   5.705 -16.023 -16.023
  244    H    LEU  31           H        LEU  31   0.103 -15.530 -15.530
  245    HA   LEU  31           HA       LEU  31  -1.766 -17.542 -17.542
  246   1HB   LEU  31          2HB       LEU  31  -1.865 -14.830 -14.830
  247   2HB   LEU  31          1HB       LEU  31  -2.771 -15.214 -15.214
  248    HG   LEU  31           HG       LEU  31  -4.286 -15.051 -15.051
  249   1HD1  LEU  31          3HD1      LEU  31  -4.602 -16.804 -16.804
  250   2HD1  LEU  31          2HD1      LEU  31  -3.999 -17.983 -17.983
  251   3HD1  LEU  31          1HD1      LEU  31  -5.477 -17.083 -17.083
  252   1HD2  LEU  31          3HD2      LEU  31  -2.289 -15.948 -15.948
  253   2HD2  LEU  31          2HD2      LEU  31  -3.975 -16.155 -16.155
  254   3HD2  LEU  31          1HD2      LEU  31  -3.099 -17.490 -17.490
  255    H    GLU  32           H        GLU  32  -0.721 -16.195 -16.195
  256    HA   GLU  32           HA       GLU  32  -2.660 -17.428 -17.428
  257   1HB   GLU  32          2HB       GLU  32  -0.934 -15.598 -15.598
  258   2HB   GLU  32          1HB       GLU  32   0.174 -16.941 -16.941
  259   1HG   GLU  32          2HG       GLU  32  -1.509 -17.943 -17.943
  260   2HG   GLU  32          1HG       GLU  32  -2.513 -16.509 -16.509
  261    H    GLN  33           H        GLN  33   0.532 -18.491 -18.491
  262    HA   GLN  33           HA       GLN  33   0.420 -20.980 -20.980
  263   1HB   GLN  33          2HB       GLN  33   2.260 -19.984 -19.984
  264   2HB   GLN  33          1HB       GLN  33   2.438 -21.548 -21.548
  265   1HG   GLN  33          2HG       GLN  33   2.199 -19.076 -19.076
  266   2HG   GLN  33          1HG       GLN  33   3.743 -19.442 -19.442
  267   1HE2  GLN  33          2HE2      GLN  33   4.452 -22.199 -22.199
  268   2HE2  GLN  33          1HE2      GLN  33   4.905 -21.348 -21.348
  269    H    LEU  34           H        LEU  34   0.650 -20.331 -20.331
  270    HA   LEU  34           HA       LEU  34  -1.025 -22.730 -22.730
  271   1HB   LEU  34          2HB       LEU  34   1.122 -21.485 -21.485
  272   2HB   LEU  34          1HB       LEU  34   0.056 -22.785 -22.785
  273    HG   LEU  34           HG       LEU  34   1.484 -23.164 -23.164
  274   1HD1  LEU  34          3HD1      LEU  34   3.101 -22.217 -22.217
  275   2HD1  LEU  34          2HD1      LEU  34   2.893 -23.787 -23.787
  276   3HD1  LEU  34          1HD1      LEU  34   3.564 -23.689 -23.689
  277   1HD2  LEU  34          3HD2      LEU  34   0.617 -24.868 -24.868
  278   2HD2  LEU  34          2HD2      LEU  34   0.026 -24.925 -24.925
  279   3HD2  LEU  34          1HD2      LEU  34   1.652 -25.497 -25.497
  280   1HN   NH2  35          1HT       LEU  34  -0.191 -19.812 -19.812
  281   2HN   NH2  35          2HT       LEU  34  -1.800 -19.453 -19.453
  282   1H    ACE   2          1HA       ACE   2   0.872  27.502  27.502
  283   2H    ACE   2          2HA       ACE   2  -0.207  26.585  26.585
  284   3H    ACE   2          3HA       ACE   2  -0.406  26.509  26.509
  285    H    CYS   3           H        CYS   3  -0.285  24.126  24.126
  286    HA   CYS   3           HA       CYS   3   2.440  23.159  23.159
  287   1HB   CYS   3          2HB       CYS   3  -0.286  21.931  21.931
  288   2HB   CYS   3          1HB       CYS   3   1.106  20.888  20.888
  289    H    GLY   4           H        GLY   4  -0.140  22.064  22.064
  290   1HA   GLY   4          2HA       GLY   4   0.307  22.408  22.408
  291   2HA   GLY   4          1HA       GLY   4   1.911  21.766  21.766
  292    H    GLY   5           H        GLY   5  -0.298  20.787  20.787
  293   1HA   GLY   5          2HA       GLY   5  -0.579  18.527  18.527
  294   2HA   GLY   5          1HA       GLY   5  -0.279  18.008  18.008
  295    H    MET   6           H        MET   6  -2.025  19.700  19.700
  296    HA   MET   6           HA       MET   6  -4.208  19.825  19.825
  297   1HB   MET   6          2HB       MET   6  -4.792  19.524  19.524
  298   2HB   MET   6          1HB       MET   6  -5.962  20.012  20.012
  299   1HG   MET   6          2HG       MET   6  -4.905  22.068  22.068
  300   2HG   MET   6          1HG       MET   6  -3.367  21.508  21.508
  301   1HE   MET   6          3HE       MET   6  -6.824  22.719  22.719
  302   2HE   MET   6          2HE       MET   6  -5.789  24.113  24.113
  303   3HE   MET   6          1HE       MET   6  -6.838  23.514  23.514
  304    H    ARG   7           H        ARG   7  -6.385  18.594  18.594
  305    HA   ARG   7           HA       ARG   7  -5.897  15.894  15.894
  306   1HB   ARG   7          2HB       ARG   7  -7.919  17.535  17.535
  307   2HB   ARG   7          1HB       ARG   7  -8.631  16.724  16.724
  308   1HG   ARG   7          2HG       ARG   7  -8.675  14.657  14.657
  309   2HG   ARG   7          1HG       ARG   7  -7.312  15.044  15.044
  310   1HD   ARG   7          2HD       ARG   7  -8.634  16.232  16.232
  311   2HD   ARG   7          1HD       ARG   7  -9.863  16.592  16.592
  312    HE   ARG   7           HE       ARG   7  -9.790  14.301  14.301
  313   1HH1  ARG   7          1HH1      ARG   7 -10.710  15.371  15.371
  314   2HH1  ARG   7          2HH1      ARG   7 -11.923  14.151  14.151
  315   1HH2  ARG   7          1HH2      ARG   7 -11.382  12.726  12.726
  316   2HH2  ARG   7          2HH2      ARG   7 -12.301  12.667  12.667
  317    H    ARG   8           H        ARG   8  -6.692  17.453  17.453
  318    HA   ARG   8           HA       ARG   8  -7.757  15.293  15.293
  319   1HB   ARG   8          2HB       ARG   8  -7.407  17.823  17.823
  320   2HB   ARG   8          1HB       ARG   8  -5.902  17.216  17.216
  321   1HG   ARG   8          2HG       ARG   8  -7.112  15.614  15.614
  322   2HG   ARG   8          1HG       ARG   8  -8.636  16.052  16.052
  323   1HD   ARG   8          2HD       ARG   8  -6.953  18.117  18.117
  324   2HD   ARG   8          1HD       ARG   8  -8.099  17.119  17.119
  325    HE   ARG   8           HE       ARG   8  -9.528  18.164  18.164
  326   1HH1  ARG   8          1HH1      ARG   8  -7.694  19.449  19.449
  327   2HH1  ARG   8          2HH1      ARG   8  -8.648  20.888  20.888
  328   1HH2  ARG   8          1HH2      ARG   8 -10.747  20.053  20.053
  329   2HH2  ARG   8          2HH2      ARG   8 -10.362  21.229  21.229
  330    H    LYS   9           H        LYS   9  -4.373  16.389  16.389
  331    HA   LYS   9           HA       LYS   9  -3.287  14.281  14.281
  332   1HB   LYS   9          2HB       LYS   9  -2.190  16.521  16.521
  333   2HB   LYS   9          1HB       LYS   9  -1.758  15.668  15.668
  334   1HG   LYS   9          2HG       LYS   9   0.096  15.161  15.161
  335   2HG   LYS   9          1HG       LYS   9  -0.946  13.812  13.812
  336   1HD   LYS   9          2HD       LYS   9  -1.333  14.632  14.632
  337   2HD   LYS   9          1HD       LYS   9  -1.267  16.313  16.313
  338   1HE   LYS   9          2HE       LYS   9   1.299  15.615  15.615
  339   2HE   LYS   9          1HE       LYS   9   0.935  14.517  14.517
  340   1HZ   LYS   9          2HZ       LYS   9  -0.082  16.638  16.638
  341   2HZ   LYS   9          1HZ       LYS   9   0.931  17.456  17.456
  342   3HZ   LYS   9          3HZ       LYS   9   1.598  16.396  16.396
  343    H    ASN  10           H        ASN  10  -3.494  14.766  14.766
  344    HA   ASN  10           HA       ASN  10  -2.292  12.332  12.332
  345   1HB   ASN  10          2HB       ASN  10  -4.383  13.972  13.972
  346   2HB   ASN  10          1HB       ASN  10  -3.440  12.668  12.668
  347   1HD2  ASN  10          2HD2      ASN  10  -0.513  14.622  14.622
  348   2HD2  ASN  10          1HD2      ASN  10  -1.204  13.079  13.079
  349    H    ASP  11           H        ASP  11  -5.568  13.145  13.145
  350    HA   ASP  11           HA       ASP  11  -6.871  10.806  10.806
  351   1HB   ASP  11          2HB       ASP  11  -7.452  12.884  12.884
  352   2HB   ASP  11          1HB       ASP  11  -8.393  11.391  11.391
  353    H    THR  12           H        THR  12  -5.165  11.580  11.580
  354    HA   THR  12           HA       THR  12  -5.817   9.206   9.206
  355    HB   THR  12           HB       THR  12  -3.265  10.797  10.797
  356    HG1  THR  12           HG1      THR  12  -4.391  12.276  12.276
  357   1HG2  THR  12          1HG2      THR  12  -3.868   8.514   8.514
  358   2HG2  THR  12          3HG2      THR  12  -4.856   9.571   9.571
  359   3HG2  THR  12          2HG2      THR  12  -3.115   9.835   9.835
  360    H    HIS  13           H        HIS  13  -3.327  10.016  10.016
  361    HA   HIS  13           HA       HIS  13  -1.820   7.589   7.589
  362   1HB   HIS  13          2HB       HIS  13  -1.783   9.690   9.690
  363   2HB   HIS  13          1HB       HIS  13  -0.706   8.294   8.294
  364    HD1  HIS  13           HD1      HIS  13   0.258   8.079   8.079
  365    HD2  HIS  13           HD2      HIS  13  -0.344  11.802  11.802
  366    HE1  HIS  13           HE1      HIS  13   1.668   9.733   9.733
  367    H    GLN  14           H        GLN  14  -4.217   8.769   8.769
  368    HA   GLN  14           HA       GLN  14  -4.147   6.543   6.543
  369   1HB   GLN  14          2HB       GLN  14  -6.162   8.700   8.700
  370   2HB   GLN  14          1HB       GLN  14  -6.566   7.355   7.355
  371   1HG   GLN  14          2HG       GLN  14  -4.726   7.872   7.872
  372   2HG   GLN  14          1HG       GLN  14  -4.086   9.061   9.061
  373   1HE2  GLN  14          2HE2      GLN  14  -6.414  10.514  10.514
  374   2HE2  GLN  14          1HE2      GLN  14  -5.310   9.231   9.231
  375    H    GLN  15           H        GLN  15  -6.175   7.309   7.309
  376    HA   GLN  15           HA       GLN  15  -7.889   5.084   5.084
  377   1HB   GLN  15          2HB       GLN  15  -7.908   7.203   7.203
  378   2HB   GLN  15          1HB       GLN  15  -7.012   6.142   6.142
  379   1HG   GLN  15          2HG       GLN  15  -9.180   5.623   5.623
  380   2HG   GLN  15          1HG       GLN  15  -8.934   4.425   4.425
  381   1HE2  GLN  15          2HE2      GLN  15 -11.892   7.050   7.050
  382   2HE2  GLN  15          1HE2      GLN  15 -11.128   6.713   6.713
  383    H    ASP  16           H        ASP  16  -4.956   5.528   5.528
  384    HA   ASP  16           HA       ASP  16  -4.867   2.896   2.896
  385   1HB   ASP  16          2HB       ASP  16  -3.472   5.099   5.099
  386   2HB   ASP  16          1HB       ASP  16  -2.305   4.334   4.334
  387    H    ILE  17           H        ILE  17  -3.444   4.371   4.371
  388    HA   ILE  17           HA       ILE  17  -1.897   2.163   2.163
  389    HB   ILE  17           HB       ILE  17  -3.057   4.579   4.579
  390   1HG1  ILE  17          2HG1      ILE  17  -0.201   3.615   3.615
  391   2HG1  ILE  17          1HG1      ILE  17  -0.924   4.496   4.496
  392   1HG2  ILE  17          3HG2      ILE  17  -1.825   2.171   2.171
  393   2HG2  ILE  17          2HG2      ILE  17  -1.662   3.783   3.783
  394   3HG2  ILE  17          1HG2      ILE  17  -3.262   3.079   3.079
  395   1HD1  ILE  17          3HD1      ILE  17  -1.229   5.624   5.624
  396   2HD1  ILE  17          2HD1      ILE  17   0.332   5.789   5.789
  397   3HD1  ILE  17          1HD1      ILE  17  -1.118   6.461   6.461
  398    H    ASP  18           H        ASP  18  -4.839   3.313   3.313
  399    HA   ASP  18           HA       ASP  18  -5.420   1.136   1.136
  400   1HB   ASP  18          2HB       ASP  18  -7.042   3.308   3.308
  401   2HB   ASP  18          1HB       ASP  18  -7.950   1.896   1.896
  402    H    ASP  19           H        ASP  19  -5.947   1.468   1.468
  403    HA   ASP  19           HA       ASP  19  -7.674  -0.810  -0.810
  404   1HB   ASP  19          2HB       ASP  19  -7.418   1.133   1.133
  405   2HB   ASP  19          1HB       ASP  19  -5.928   0.344   0.344
  406    H    LEU  20           H        LEU  20  -4.210  -0.206  -0.206
  407    HA   LEU  20           HA       LEU  20  -3.526  -2.820  -2.820
  408   1HB   LEU  20          2HB       LEU  20  -1.895  -0.640  -0.640
  409   2HB   LEU  20          1HB       LEU  20  -1.201  -2.155  -2.155
  410    HG   LEU  20           HG       LEU  20  -2.893  -0.430  -0.430
  411   1HD1  LEU  20          3HD1      LEU  20  -0.025  -0.093  -0.093
  412   2HD1  LEU  20          2HD1      LEU  20  -0.491   0.266   0.266
  413   3HD1  LEU  20          1HD1      LEU  20  -1.243   1.139   1.139
  414   1HD2  LEU  20          3HD2      LEU  20  -1.028  -2.756  -2.756
  415   2HD2  LEU  20          2HD2      LEU  20  -2.551  -2.447  -2.447
  416   3HD2  LEU  20          1HD2      LEU  20  -1.084  -1.604  -1.604
  417    H    LYS  21           H        LYS  21  -3.513  -1.247  -1.247
  418    HA   LYS  21           HA       LYS  21  -2.419  -3.382  -3.382
  419   1HB   LYS  21          2HB       LYS  21  -4.244  -1.104  -1.104
  420   2HB   LYS  21          1HB       LYS  21  -3.704  -2.299  -2.299
  421   1HG   LYS  21          2HG       LYS  21  -1.691  -0.944  -0.944
  422   2HG   LYS  21          1HG       LYS  21  -2.299  -0.110  -0.110
  423   1HD   LYS  21          2HD       LYS  21  -1.432  -2.942  -2.942
  424   2HD   LYS  21          1HD       LYS  21  -0.167  -1.736  -1.736
  425   1HE   LYS  21          2HE       LYS  21  -2.379  -1.315  -1.315
  426   2HE   LYS  21          1HE       LYS  21  -0.914  -2.203  -2.203
  427   1HZ   LYS  21          1HZ       LYS  21  -0.720   0.434   0.434
  428   2HZ   LYS  21          3HZ       LYS  21  -1.005   0.334   0.334
  429   3HZ   LYS  21          2HZ       LYS  21   0.401  -0.353  -0.353
  430    H    ARG  22           H        ARG  22  -5.709  -2.673  -2.673
  431    HA   ARG  22           HA       ARG  22  -7.063  -4.563  -4.563
  432   1HB   ARG  22          2HB       ARG  22  -7.672  -3.206  -3.206
  433   2HB   ARG  22          1HB       ARG  22  -8.704  -4.514  -4.514
  434   1HG   ARG  22          2HG       ARG  22  -9.164  -3.348  -3.348
  435   2HG   ARG  22          1HG       ARG  22  -7.982  -2.099  -2.099
  436   1HD   ARG  22          2HD       ARG  22  -9.334  -1.497  -1.497
  437   2HD   ARG  22          1HD       ARG  22 -10.539  -2.686  -2.686
  438    HE   ARG  22           HE       ARG  22 -10.196  -0.058  -0.058
  439   1HH1  ARG  22          1HH1      ARG  22 -11.172  -3.332  -3.332
  440   2HH1  ARG  22          2HH1      ARG  22 -12.199  -2.842  -2.842
  441   1HH2  ARG  22          1HH2      ARG  22 -11.544   0.537   0.537
  442   2HH2  ARG  22          2HH2      ARG  22 -12.409  -0.671  -0.671
  443    H    GLN  23           H        GLN  23  -5.989  -4.811  -4.811
  444    HA   GLN  23           HA       GLN  23  -6.625  -7.565  -7.565
  445   1HB   GLN  23          2HB       GLN  23  -5.055  -5.577  -5.577
  446   2HB   GLN  23          1HB       GLN  23  -4.752  -7.286  -7.286
  447   1HG   GLN  23          2HG       GLN  23  -7.605  -6.478  -6.478
  448   2HG   GLN  23          1HG       GLN  23  -6.733  -5.896  -5.896
  449   1HE2  GLN  23          2HE2      GLN  23  -6.635  -9.978  -9.978
  450   2HE2  GLN  23          1HE2      GLN  23  -6.258  -8.994  -8.994
  451    H    ASN  24           H        ASN  24  -3.565  -5.869  -5.869
  452    HA   ASN  24           HA       ASN  24  -1.930  -8.164  -8.164
  453   1HB   ASN  24          2HB       ASN  24  -1.601  -5.509  -5.509
  454   2HB   ASN  24          1HB       ASN  24  -0.341  -6.724  -6.724
  455   1HD2  ASN  24          2HD2      ASN  24   0.442  -4.749  -4.749
  456   2HD2  ASN  24          1HD2      ASN  24   0.869  -5.045  -5.045
  457    H    ALA  25           H        ALA  25  -4.043  -6.607  -6.607
  458    HA   ALA  25           HA       ALA  25  -3.072  -7.781  -7.781
  459   1HB   ALA  25          2HB       ALA  25  -5.758  -6.717  -6.717
  460   2HB   ALA  25          1HB       ALA  25  -5.551  -7.504  -7.504
  461   3HB   ALA  25          3HB       ALA  25  -4.619  -6.059  -6.059
  462    H    LEU  26           H        LEU  26  -5.889  -8.775  -8.775
  463    HA   LEU  26           HA       LEU  26  -6.278 -11.235 -11.235
  464   1HB   LEU  26          2HB       LEU  26  -7.205 -10.082 -10.082
  465   2HB   LEU  26          1HB       LEU  26  -7.449 -11.802 -11.802
  466    HG   LEU  26           HG       LEU  26  -8.428 -11.059 -11.059
  467   1HD1  LEU  26          1HD1      LEU  26  -8.443  -8.454  -8.454
  468   2HD1  LEU  26          3HD1      LEU  26  -9.451  -8.752  -8.752
  469   3HD1  LEU  26          2HD1      LEU  26  -7.693  -8.758  -8.758
  470   1HD2  LEU  26          1HD2      LEU  26  -9.633 -11.810 -11.810
  471   2HD2  LEU  26          3HD2      LEU  26 -10.582 -11.052 -11.052
  472   3HD2  LEU  26          2HD2      LEU  26 -10.078 -10.108 -10.108
  473    H    LEU  27           H        LEU  27  -4.239 -10.280 -10.280
  474    HA   LEU  27           HA       LEU  27  -3.654 -12.823 -12.823
  475   1HB   LEU  27          2HB       LEU  27  -2.280 -10.168 -10.168
  476   2HB   LEU  27          1HB       LEU  27  -1.386 -11.588 -11.588
  477    HG   LEU  27           HG       LEU  27  -4.158 -11.024 -11.024
  478   1HD1  LEU  27          2HD1      LEU  27  -2.703  -9.013  -9.013
  479   2HD1  LEU  27          1HD1      LEU  27  -1.562 -10.047 -10.047
  480   3HD1  LEU  27          3HD1      LEU  27  -3.187  -9.807  -9.807
  481   1HD2  LEU  27          1HD2      LEU  27  -2.602 -13.202 -13.202
  482   2HD2  LEU  27          3HD2      LEU  27  -3.660 -12.648 -12.648
  483   3HD2  LEU  27          2HD2      LEU  27  -1.944 -12.243 -12.243
  484    H    GLU  28           H        GLU  28  -1.480 -10.861 -10.861
  485    HA   GLU  28           HA       GLU  28   0.260 -12.945 -12.945
  486   1HB   GLU  28          2HB       GLU  28   0.975 -11.459 -11.459
  487   2HB   GLU  28          1HB       GLU  28   0.876 -10.617 -10.617
  488   1HG   GLU  28          2HG       GLU  28  -1.646 -10.223 -10.223
  489   2HG   GLU  28          1HG       GLU  28  -0.787 -10.306 -10.306
  490    H    GLN  29           H        GLN  29  -2.760 -11.899 -11.899
  491    HA   GLN  29           HA       GLN  29  -2.581 -13.245 -13.245
  492   1HB   GLN  29          2HB       GLN  29  -4.343 -11.564 -11.564
  493   2HB   GLN  29          1HB       GLN  29  -5.106 -12.815 -12.815
  494   1HG   GLN  29          2HG       GLN  29  -5.738 -14.072 -14.072
  495   2HG   GLN  29          1HG       GLN  29  -4.436 -13.436 -13.436
  496   1HE2  GLN  29          2HE2      GLN  29  -6.260 -10.523 -10.523
  497   2HE2  GLN  29          1HE2      GLN  29  -4.701 -11.177 -11.177
  498    H    GLN  30           H        GLN  30  -3.412 -14.352 -14.352
  499    HA   GLN  30           HA       GLN  30  -4.145 -17.007 -17.007
  500   1HB   GLN  30          2HB       GLN  30  -5.331 -15.648 -15.648
  501   2HB   GLN  30          1HB       GLN  30  -4.057 -16.378 -16.378
  502   1HG   GLN  30          2HG       GLN  30  -4.863 -18.513 -18.513
  503   2HG   GLN  30          1HG       GLN  30  -5.506 -18.164 -18.164
  504   1HE2  GLN  30          2HE2      GLN  30  -8.728 -17.929 -17.929
  505   2HE2  GLN  30          1HE2      GLN  30  -7.727 -18.582 -18.582
  506    H    VAL  31           H        VAL  31  -1.699 -15.357 -15.357
  507    HA   VAL  31           HA       VAL  31  -0.315 -17.701 -17.701
  508    HB   VAL  31           HB       VAL  31   0.789 -14.901 -14.901
  509   1HG1  VAL  31          2HG1      VAL  31   2.492 -16.666 -16.666
  510   2HG1  VAL  31          1HG1      VAL  31   1.642 -17.220 -17.220
  511   3HG1  VAL  31          3HG1      VAL  31   2.385 -15.622 -15.622
  512   1HG2  VAL  31          2HG2      VAL  31  -1.360 -15.538 -15.538
  513   2HG2  VAL  31          1HG2      VAL  31  -0.192 -14.290 -14.290
  514   3HG2  VAL  31          3HG2      VAL  31  -0.048 -15.906 -15.906
  515    H    ARG  32           H        ARG  32  -0.124 -15.616 -15.616
  516    HA   ARG  32           HA       ARG  32   2.321 -16.555 -16.555
  517   1HB   ARG  32          2HB       ARG  32   1.065 -14.525 -14.525
  518   2HB   ARG  32          1HB       ARG  32  -0.064 -15.616 -15.616
  519   1HG   ARG  32          2HG       ARG  32   2.218 -16.652 -16.652
  520   2HG   ARG  32          1HG       ARG  32   2.782 -15.006 -15.006
  521   1HD   ARG  32          2HD       ARG  32   0.490 -14.395 -14.395
  522   2HD   ARG  32          1HD       ARG  32   0.703 -15.997 -15.997
  523    HE   ARG  32           HE       ARG  32   3.071 -14.351 -14.351
  524   1HH1  ARG  32          1HH1      ARG  32   0.018 -15.162 -15.162
  525   2HH1  ARG  32          2HH1      ARG  32   0.529 -14.657 -14.657
  526   1HH2  ARG  32          1HH2      ARG  32   3.698 -13.703 -13.703
  527   2HH2  ARG  32          2HH2      ARG  32   2.595 -13.837 -13.837
  528    H    ALA  33           H        ALA  33  -0.963 -17.781 -17.781
  529    HA   ALA  33           HA       ALA  33  -0.343 -19.798 -19.798
  530   1HB   ALA  33          2HB       ALA  33  -2.755 -19.376 -19.376
  531   2HB   ALA  33          1HB       ALA  33  -2.631 -20.656 -20.656
  532   3HB   ALA  33          3HB       ALA  33  -2.609 -18.965 -18.965
  533    H    LEU  34           H        LEU  34  -0.557 -19.575 -19.575
  534    HA   LEU  34           HA       LEU  34  -0.162 -22.457 -22.457
  535   1HB   LEU  34          2HB       LEU  34  -0.865 -20.192 -20.192
  536   2HB   LEU  34          1HB       LEU  34  -0.038 -21.578 -21.578
  537    HG   LEU  34           HG       LEU  34  -2.493 -21.830 -21.830
  538   1HD1  LEU  34          3HD1      LEU  34  -0.780 -23.761 -23.761
  539   2HD1  LEU  34          2HD1      LEU  34  -1.625 -23.804 -23.804
  540   3HD1  LEU  34          1HD1      LEU  34  -2.514 -24.080 -24.080
  541   1HD2  LEU  34          3HD2      LEU  34  -2.649 -20.557 -20.557
  542   2HD2  LEU  34          2HD2      LEU  34  -3.909 -21.668 -21.668
  543   3HD2  LEU  34          1HD2      LEU  34  -2.680 -22.215 -22.215
  544   1HN   NH2  35          1HT       LEU  34   1.541 -22.737 -22.737
  545   2HN   NH2  35          2HT       LEU  34   3.075 -22.105 -22.105

  Start of MODEL   10
    1   1H    ACE   2          1HA       ACE   2   0.638  27.613  27.613
    2   2H    ACE   2          2HA       ACE   2   1.700  26.643  26.643
    3   3H    ACE   2          3HA       ACE   2   0.008  26.187  26.187
    4    H    CYS   3           H        CYS   3   2.721  24.891  24.891
    5    HA   CYS   3           HA       CYS   3   1.890  23.416  23.416
    6   1HB   CYS   3          2HB       CYS   3   2.627  25.783  25.783
    7   2HB   CYS   3          1HB       CYS   3   4.243  25.096  25.096
    8    H    GLY   4           H        GLY   4   4.656  24.685  24.685
    9   1HA   GLY   4          2HA       GLY   4   6.477  22.601  22.601
   10   2HA   GLY   4          1HA       GLY   4   6.519  23.654  23.654
   11    H    GLY   5           H        GLY   5   6.977  20.718  20.718
   12   1HA   GLY   5          2HA       GLY   5   6.746  19.135  19.135
   13   2HA   GLY   5          1HA       GLY   5   5.193  19.863  19.863
   14    H    VAL   6           H        VAL   6   4.288  19.969  19.969
   15    HA   VAL   6           HA       VAL   6   3.049  17.410  17.410
   16    HB   VAL   6           HB       VAL   6   3.238  19.488  19.488
   17   1HG1  VAL   6          3HG1      VAL   6   1.368  17.185  17.185
   18   2HG1  VAL   6          2HG1      VAL   6   0.957  18.472  18.472
   19   3HG1  VAL   6          1HG1      VAL   6   2.347  17.433  17.433
   20   1HG2  VAL   6          1HG2      VAL   6   1.333  19.228  19.228
   21   2HG2  VAL   6          3HG2      VAL   6   2.411  20.581  20.581
   22   3HG2  VAL   6          2HG2      VAL   6   1.030  20.261  20.261
   23    H    GLN   7           H        GLN   7   5.876  18.844  18.844
   24    HA   GLN   7           HA       GLN   7   6.266  17.011  17.011
   25   1HB   GLN   7          2HB       GLN   7   8.380  18.463  18.463
   26   2HB   GLN   7          1HB       GLN   7   8.596  17.746  17.746
   27   1HG   GLN   7          2HG       GLN   7   6.752  19.258  19.258
   28   2HG   GLN   7          1HG       GLN   7   6.798  20.071  20.071
   29   1HE2  GLN   7          2HE2      GLN   7   9.537  21.023  21.023
   30   2HE2  GLN   7          1HE2      GLN   7   8.192  20.043  20.043
   31    H    ALA   8           H        ALA   8   7.059  16.878  16.878
   32    HA   ALA   8           HA       ALA   8   8.615  14.443  14.443
   33   1HB   ALA   8          3HB       ALA   8   7.586  15.934  15.934
   34   2HB   ALA   8          2HB       ALA   8   8.604  14.497  14.497
   35   3HB   ALA   8          1HB       ALA   8   9.223  15.977  15.977
   36    H    GLU   9           H        GLU   9   5.460  15.363  15.363
   37    HA   GLU   9           HA       GLU   9   4.667  12.774  12.774
   38   1HB   GLU   9          2HB       GLU   9   3.576  15.006  15.006
   39   2HB   GLU   9          1HB       GLU   9   2.765  14.915  14.915
   40   1HG   GLU   9          2HG       GLU   9   1.192  13.817  13.817
   41   2HG   GLU   9          1HG       GLU   9   2.216  12.441  12.441
   42    H    GLU  10           H        GLU  10   4.176  14.574  14.574
   43    HA   GLU  10           HA       GLU  10   2.551  12.633  12.633
   44   1HB   GLU  10          2HB       GLU  10   2.962  15.079  15.079
   45   2HB   GLU  10          1HB       GLU  10   4.434  14.481  14.481
   46   1HG   GLU  10          2HG       GLU  10   3.029  12.804  12.804
   47   2HG   GLU  10          1HG       GLU  10   1.594  13.592  13.592
   48    H    GLN  11           H        GLN  11   6.018  13.035  13.035
   49    HA   GLN  11           HA       GLN  11   6.862  11.247  11.247
   50   1HB   GLN  11          2HB       GLN  11   8.240  12.887  12.887
   51   2HB   GLN  11          1HB       GLN  11   8.357  11.493  11.493
   52   1HG   GLN  11          2HG       GLN  11   8.903  10.973  10.973
   53   2HG   GLN  11          1HG       GLN  11  10.103  11.943  11.943
   54   1HE2  GLN  11          2HE2      GLN  11  11.436   8.741   8.741
   55   2HE2  GLN  11          1HE2      GLN  11  11.599  10.054  10.054
   56    H    LYS  12           H        LYS  12   5.735  10.753  10.753
   57    HA   LYS  12           HA       LYS  12   6.513   7.985   7.985
   58   1HB   LYS  12          2HB       LYS  12   4.803   9.790   9.790
   59   2HB   LYS  12          1HB       LYS  12   4.785   8.046   8.046
   60   1HG   LYS  12          2HG       LYS  12   7.345   8.188   8.188
   61   2HG   LYS  12          1HG       LYS  12   7.135   9.934   9.934
   62   1HD   LYS  12          2HD       LYS  12   6.184   9.811   9.811
   63   2HD   LYS  12          1HD       LYS  12   5.550   8.185   8.185
   64   1HE   LYS  12          2HE       LYS  12   7.347   7.897   7.897
   65   2HE   LYS  12          1HE       LYS  12   8.001   7.414   7.414
   66   1HZ   LYS  12          1HZ       LYS  12   8.283  10.136  10.136
   67   2HZ   LYS  12          3HZ       LYS  12   9.461   8.924   8.924
   68   3HZ   LYS  12          2HZ       LYS  12   9.042   9.524   9.524
   69    H    LEU  13           H        LEU  13   3.548   9.765   9.765
   70    HA   LEU  13           HA       LEU  13   1.787   7.572   7.572
   71   1HB   LEU  13          2HB       LEU  13   1.805  10.356  10.356
   72   2HB   LEU  13          1HB       LEU  13   0.679   9.215   9.215
   73    HG   LEU  13           HG       LEU  13   0.891   9.459   9.459
   74   1HD1  LEU  13          2HD1      LEU  13   0.436  11.714  11.714
   75   2HD1  LEU  13          1HD1      LEU  13  -1.053  11.007  11.007
   76   3HD1  LEU  13          3HD1      LEU  13  -0.810  11.148  11.148
   77   1HD2  LEU  13          2HD2      LEU  13  -0.395   7.654   7.654
   78   2HD2  LEU  13          1HD2      LEU  13  -1.033   8.199   8.199
   79   3HD2  LEU  13          3HD2      LEU  13  -1.634   8.908   8.908
   80    H    ILE  14           H        ILE  14   3.914   9.052   9.052
   81    HA   ILE  14           HA       ILE  14   3.030   7.493   7.493
   82    HB   ILE  14           HB       ILE  14   5.733   8.796   8.796
   83   1HG1  ILE  14          2HG1      ILE  14   3.478   9.984   9.984
   84   2HG1  ILE  14          1HG1      ILE  14   3.489  10.178  10.178
   85   1HG2  ILE  14          1HG2      ILE  14   4.268   7.704   7.704
   86   2HG2  ILE  14          3HG2      ILE  14   5.541   8.915   8.915
   87   3HG2  ILE  14          2HG2      ILE  14   5.907   7.340   7.340
   88   1HD1  ILE  14          2HD1      ILE  14   5.901  10.831  10.831
   89   2HD1  ILE  14          1HD1      ILE  14   4.649  12.023  12.023
   90   3HD1  ILE  14          3HD1      ILE  14   5.584  11.310  11.310
   91    H    SER  15           H        SER  15   5.932   7.236   7.236
   92    HA   SER  15           HA       SER  15   6.912   4.847   4.847
   93   1HB   SER  15          2HB       SER  15   7.225   5.731   5.731
   94   2HB   SER  15          1HB       SER  15   8.291   4.661   4.661
   95    HG   SER  15           HG       SER  15   9.249   6.579   6.579
   96    H    GLU  16           H        GLU  16   4.465   5.451   5.451
   97    HA   GLU  16           HA       GLU  16   4.295   2.848   2.848
   98   1HB   GLU  16          2HB       GLU  16   2.702   5.302   5.302
   99   2HB   GLU  16          1HB       GLU  16   1.699   3.853   3.853
  100   1HG   GLU  16          2HG       GLU  16   2.272   4.464   4.464
  101   2HG   GLU  16          1HG       GLU  16   3.114   2.973   2.973
  102    H    GLU  17           H        GLU  17   2.223   4.402   4.402
  103    HA   GLU  17           HA       GLU  17   0.818   2.060   2.060
  104   1HB   GLU  17          2HB       GLU  17   0.221   3.295   3.295
  105   2HB   GLU  17          1HB       GLU  17  -0.037   4.250   4.250
  106   1HG   GLU  17          2HG       GLU  17   2.029   5.462   5.462
  107   2HG   GLU  17          1HG       GLU  17   2.472   4.407   4.407
  108    H    ASP  18           H        ASP  18   3.893   3.373   3.373
  109    HA   ASP  18           HA       ASP  18   4.197   1.674   1.674
  110   1HB   ASP  18          2HB       ASP  18   5.439   3.853   3.853
  111   2HB   ASP  18          1HB       ASP  18   6.424   2.967   2.967
  112    H    LEU  19           H        LEU  19   5.302   1.564   1.564
  113    HA   LEU  19           HA       LEU  19   6.894  -0.760  -0.760
  114   1HB   LEU  19          2HB       LEU  19   6.764   0.894   0.894
  115   2HB   LEU  19          1HB       LEU  19   5.332  -0.002  -0.002
  116    HG   LEU  19           HG       LEU  19   6.991  -2.077  -2.077
  117   1HD1  LEU  19          3HD1      LEU  19   8.777   0.229   0.229
  118   2HD1  LEU  19          2HD1      LEU  19   9.247  -1.472  -1.472
  119   3HD1  LEU  19          1HD1      LEU  19   8.872  -0.647  -0.647
  120   1HD2  LEU  19          2HD2      LEU  19   5.738  -1.166  -1.166
  121   2HD2  LEU  19          1HD2      LEU  19   7.115  -2.243  -2.243
  122   3HD2  LEU  19          3HD2      LEU  19   7.313  -0.504  -0.504
  123    H    LEU  20           H        LEU  20   3.452  -0.267  -0.267
  124    HA   LEU  20           HA       LEU  20   2.851  -2.993  -2.993
  125   1HB   LEU  20          2HB       LEU  20   1.274  -0.552  -0.552
  126   2HB   LEU  20          1HB       LEU  20   0.485  -2.117  -2.117
  127    HG   LEU  20           HG       LEU  20   2.015  -1.515  -1.515
  128   1HD1  LEU  20          1HD1      LEU  20   0.244   0.310   0.310
  129   2HD1  LEU  20          3HD1      LEU  20  -0.927  -0.934  -0.934
  130   3HD1  LEU  20          2HD1      LEU  20   0.236  -0.357  -0.357
  131   1HD2  LEU  20          3HD2      LEU  20  -0.265  -3.313  -3.313
  132   2HD2  LEU  20          2HD2      LEU  20   1.303  -3.774  -3.774
  133   3HD2  LEU  20          1HD2      LEU  20   0.095  -3.009  -3.009
  134    H    ARG  21           H        ARG  21   3.115  -1.131  -1.131
  135    HA   ARG  21           HA       ARG  21   1.770  -2.869  -2.869
  136   1HB   ARG  21          2HB       ARG  21   3.975  -0.854  -0.854
  137   2HB   ARG  21          1HB       ARG  21   3.444  -1.859  -1.859
  138   1HG   ARG  21          2HG       ARG  21   1.181  -1.040  -1.040
  139   2HG   ARG  21          1HG       ARG  21   1.559  -0.195  -0.195
  140   1HD   ARG  21          2HD       ARG  21   1.519   1.349   1.349
  141   2HD   ARG  21          1HD       ARG  21   3.106   1.283   1.283
  142    HE   ARG  21           HE       ARG  21   3.944   0.385   0.385
  143   1HH1  ARG  21          1HH1      ARG  21   0.458   0.059   0.059
  144   2HH1  ARG  21          2HH1      ARG  21   0.386  -0.520  -0.520
  145   1HH2  ARG  21          1HH2      ARG  21   3.804  -0.376  -0.376
  146   2HH2  ARG  21          2HH2      ARG  21   2.262  -0.765  -0.765
  147    H    LYS  22           H        LYS  22   5.243  -2.639  -2.639
  148    HA   LYS  22           HA       LYS  22   6.052  -4.862  -4.862
  149   1HB   LYS  22          2HB       LYS  22   7.272  -3.489  -3.489
  150   2HB   LYS  22          1HB       LYS  22   8.042  -4.869  -4.869
  151   1HG   LYS  22          2HG       LYS  22   7.157  -2.445  -2.445
  152   2HG   LYS  22          1HG       LYS  22   8.751  -2.537  -2.537
  153   1HD   LYS  22          2HD       LYS  22   7.905  -4.890  -4.890
  154   2HD   LYS  22          1HD       LYS  22   8.281  -3.415  -3.415
  155   1HE   LYS  22          2HE       LYS  22  10.392  -3.404  -3.404
  156   2HE   LYS  22          1HE       LYS  22  10.076  -5.140  -5.140
  157   1HZ   LYS  22          1HZ       LYS  22  10.120  -5.122  -5.122
  158   2HZ   LYS  22          3HZ       LYS  22  10.471  -3.462  -3.462
  159   3HZ   LYS  22          2HZ       LYS  22  11.590  -4.567  -4.567
  160    H    ARG  23           H        ARG  23   4.782  -4.557  -4.557
  161    HA   ARG  23           HA       ARG  23   5.408  -7.225  -7.225
  162   1HB   ARG  23          2HB       ARG  23   4.858  -5.230  -5.230
  163   2HB   ARG  23          1HB       ARG  23   3.168  -5.526  -5.526
  164   1HG   ARG  23          2HG       ARG  23   3.526  -7.931  -7.931
  165   2HG   ARG  23          1HG       ARG  23   5.087  -7.417  -7.417
  166   1HD   ARG  23          2HD       ARG  23   4.139  -6.171  -6.171
  167   2HD   ARG  23          1HD       ARG  23   2.692  -5.807  -5.807
  168    HE   ARG  23           HE       ARG  23   1.710  -7.704  -7.704
  169   1HH1  ARG  23          1HH1      ARG  23   5.181  -7.894  -7.894
  170   2HH1  ARG  23          2HH1      ARG  23   5.101  -9.325  -9.325
  171   1HH2  ARG  23          1HH2      ARG  23   1.651  -9.569  -9.569
  172   2HH2  ARG  23          2HH2      ARG  23   3.120 -10.267 -10.267
  173    H    ARG  24           H        ARG  24   2.707  -5.683  -5.683
  174    HA   ARG  24           HA       ARG  24   0.801  -7.746  -7.746
  175   1HB   ARG  24          2HB       ARG  24   0.377  -5.401  -5.401
  176   2HB   ARG  24          1HB       ARG  24   1.077  -5.923  -5.923
  177   1HG   ARG  24          2HG       ARG  24  -0.633  -7.525  -7.525
  178   2HG   ARG  24          1HG       ARG  24  -1.172  -7.451  -7.451
  179   1HD   ARG  24          2HD       ARG  24  -2.695  -6.222  -6.222
  180   2HD   ARG  24          1HD       ARG  24  -1.977  -5.174  -5.174
  181    HE   ARG  24           HE       ARG  24  -0.937  -4.013  -4.013
  182   1HH1  ARG  24          1HH1      ARG  24  -1.889  -7.171  -7.171
  183   2HH1  ARG  24          2HH1      ARG  24  -1.424  -6.832  -6.832
  184   1HH2  ARG  24          1HH2      ARG  24  -0.342  -3.613  -3.613
  185   2HH2  ARG  24          2HH2      ARG  24  -0.555  -4.836  -4.836
  186    H    GLU  25           H        GLU  25   3.116  -7.052  -7.052
  187    HA   GLU  25           HA       GLU  25   2.466  -9.332  -9.332
  188   1HB   GLU  25          2HB       GLU  25   4.788  -7.433  -7.433
  189   2HB   GLU  25          1HB       GLU  25   4.891  -8.898  -8.898
  190   1HG   GLU  25          2HG       GLU  25   4.031  -7.110  -7.110
  191   2HG   GLU  25          1HG       GLU  25   2.722  -8.250  -8.250
  192    H    GLN  26           H        GLN  26   4.714  -8.763  -8.763
  193    HA   GLN  26           HA       GLN  26   6.225 -11.149 -11.149
  194   1HB   GLN  26          2HB       GLN  26   5.702  -9.226  -9.226
  195   2HB   GLN  26          1HB       GLN  26   6.556 -10.738 -10.738
  196   1HG   GLN  26          2HG       GLN  26   8.307 -10.183 -10.183
  197   2HG   GLN  26          1HG       GLN  26   7.375  -8.867  -8.867
  198   1HE2  GLN  26          2HE2      GLN  26   8.779  -8.211  -8.211
  199   2HE2  GLN  26          1HE2      GLN  26   8.190  -9.750  -9.750
  200    H    LEU  27           H        LEU  27   3.188 -10.373 -10.373
  201    HA   LEU  27           HA       LEU  27   2.948 -12.834 -12.834
  202   1HB   LEU  27          2HB       LEU  27   0.876 -10.793 -10.793
  203   2HB   LEU  27          1HB       LEU  27   0.536 -12.175 -12.175
  204    HG   LEU  27           HG       LEU  27   2.797 -10.313 -10.313
  205   1HD1  LEU  27          2HD1      LEU  27  -0.134  -9.907  -9.907
  206   2HD1  LEU  27          1HD1      LEU  27   1.203  -9.001  -9.001
  207   3HD1  LEU  27          3HD1      LEU  27   0.852  -8.855  -8.855
  208   1HD2  LEU  27          2HD2      LEU  27   2.355 -12.544 -12.544
  209   2HD2  LEU  27          1HD2      LEU  27   2.422 -11.139 -11.139
  210   3HD2  LEU  27          3HD2      LEU  27   0.863 -11.829 -11.829
  211    H    LYS  28           H        LYS  28   1.933 -11.697 -11.697
  212    HA   LYS  28           HA       LYS  28   0.343 -14.010 -14.010
  213   1HB   LYS  28          2HB       LYS  28   1.386 -11.673 -11.673
  214   2HB   LYS  28          1HB       LYS  28   0.733 -13.071 -13.071
  215   1HG   LYS  28          2HG       LYS  28  -1.376 -12.878 -12.878
  216   2HG   LYS  28          1HG       LYS  28  -0.730 -11.550 -11.550
  217   1HD   LYS  28          2HD       LYS  28  -0.796 -10.045 -10.045
  218   2HD   LYS  28          1HD       LYS  28  -0.675 -11.315 -11.315
  219   1HE   LYS  28          2HE       LYS  28  -3.094 -11.287 -11.287
  220   2HE   LYS  28          1HE       LYS  28  -2.988 -10.080 -10.080
  221   1HZ   LYS  28          3HZ       LYS  28  -2.577 -11.881 -11.881
  222   2HZ   LYS  28          2HZ       LYS  28  -2.758 -13.022 -13.022
  223   3HZ   LYS  28          1HZ       LYS  28  -4.075 -12.058 -12.058
  224    H    HIS  29           H        HIS  29   3.689 -13.061 -13.061
  225    HA   HIS  29           HA       HIS  29   4.417 -15.072 -15.072
  226   1HB   HIS  29          2HB       HIS  29   6.029 -13.492 -13.492
  227   2HB   HIS  29          1HB       HIS  29   6.756 -14.643 -14.643
  228    HD1  HIS  29           HD1      HIS  29   5.014 -14.037 -14.037
  229    HD2  HIS  29           HD2      HIS  29   6.771 -11.099 -11.099
  230    HE1  HIS  29           HE1      HIS  29   5.209 -11.966 -11.966
  231    H    LYS  30           H        LYS  30   4.125 -15.007 -15.007
  232    HA   LYS  30           HA       LYS  30   5.470 -17.527 -17.527
  233   1HB   LYS  30          2HB       LYS  30   3.812 -15.739 -15.739
  234   2HB   LYS  30          1HB       LYS  30   4.402 -17.312 -17.312
  235   1HG   LYS  30          2HG       LYS  30   6.711 -16.413 -16.413
  236   2HG   LYS  30          1HG       LYS  30   5.954 -14.839 -14.839
  237   1HD   LYS  30          2HD       LYS  30   7.005 -15.258 -15.258
  238   2HD   LYS  30          1HD       LYS  30   5.333 -15.740 -15.740
  239   1HE   LYS  30          2HE       LYS  30   5.842 -17.988 -17.988
  240   2HE   LYS  30          1HE       LYS  30   7.197 -17.816 -17.816
  241   1HZ   LYS  30          1HZ       LYS  30   8.272 -16.511 -16.511
  242   2HZ   LYS  30          3HZ       LYS  30   7.100 -17.233 -17.233
  243   3HZ   LYS  30          2HZ       LYS  30   8.202 -18.203 -18.203
  244    H    LEU  31           H        LEU  31   2.205 -16.475 -16.475
  245    HA   LEU  31           HA       LEU  31   1.077 -19.069 -19.069
  246   1HB   LEU  31          2HB       LEU  31   0.012 -16.599 -16.599
  247   2HB   LEU  31          1HB       LEU  31  -0.567 -17.047 -17.047
  248    HG   LEU  31           HG       LEU  31  -2.209 -17.689 -17.689
  249   1HD1  LEU  31          3HD1      LEU  31  -1.620 -19.175 -19.175
  250   2HD1  LEU  31          2HD1      LEU  31  -0.905 -20.262 -20.262
  251   3HD1  LEU  31          1HD1      LEU  31  -2.621 -19.865 -19.865
  252   1HD2  LEU  31          3HD2      LEU  31  -0.245 -18.035 -18.035
  253   2HD2  LEU  31          2HD2      LEU  31  -1.717 -18.995 -18.995
  254   3HD2  LEU  31          1HD2      LEU  31  -0.277 -19.695 -19.695
  255    H    GLU  32           H        GLU  32   1.668 -17.101 -17.101
  256    HA   GLU  32           HA       GLU  32   0.598 -19.161 -19.161
  257   1HB   GLU  32          2HB       GLU  32   1.742 -16.415 -16.415
  258   2HB   GLU  32          1HB       GLU  32   1.556 -17.520 -17.520
  259   1HG   GLU  32          2HG       GLU  32  -0.453 -16.169 -16.169
  260   2HG   GLU  32          1HG       GLU  32  -0.852 -17.817 -17.817
  261    H    GLN  33           H        GLN  33   3.677 -17.380 -17.380
  262    HA   GLN  33           HA       GLN  33   5.042 -19.384 -19.384
  263   1HB   GLN  33          2HB       GLN  33   5.848 -16.950 -16.950
  264   2HB   GLN  33          1HB       GLN  33   7.103 -18.126 -18.126
  265   1HG   GLN  33          2HG       GLN  33   7.154 -16.825 -16.825
  266   2HG   GLN  33          1HG       GLN  33   5.969 -18.042 -18.042
  267   1HE2  GLN  33          2HE2      GLN  33   4.747 -14.370 -14.370
  268   2HE2  GLN  33          1HE2      GLN  33   6.307 -14.981 -14.981
  269    H    LEU  34           H        LEU  34   4.603 -18.850 -18.850
  270    HA   LEU  34           HA       LEU  34   5.103 -20.143 -20.143
  271   1HB   LEU  34          2HB       LEU  34   5.481 -22.343 -22.343
  272   2HB   LEU  34          1HB       LEU  34   5.256 -22.561 -22.561
  273    HG   LEU  34           HG       LEU  34   3.211 -20.941 -20.941
  274   1HD1  LEU  34          2HD1      LEU  34   3.834 -23.125 -23.125
  275   2HD1  LEU  34          1HD1      LEU  34   2.963 -23.934 -23.934
  276   3HD1  LEU  34          3HD1      LEU  34   2.139 -22.740 -22.740
  277   1HD2  LEU  34          3HD2      LEU  34   3.388 -22.819 -22.819
  278   2HD2  LEU  34          2HD2      LEU  34   2.747 -21.178 -21.178
  279   3HD2  LEU  34          1HD2      LEU  34   1.820 -22.512 -22.512
  280   1HN   NH2  35          1HT       LEU  34   6.996 -21.781 -21.781
  281   2HN   NH2  35          2HT       LEU  34   8.549 -21.320 -21.320
  282   1H    ACE   2          1HA       ACE   2   1.340  26.804  26.804
  283   2H    ACE   2          2HA       ACE   2   0.706  25.644  25.644
  284   3H    ACE   2          3HA       ACE   2   2.333  25.442  25.442
  285    H    CYS   3           H        CYS   3   1.217  26.366  26.366
  286    HA   CYS   3           HA       CYS   3   0.621  23.729  23.729
  287   1HB   CYS   3          2HB       CYS   3   1.897  25.746  25.746
  288   2HB   CYS   3          1HB       CYS   3   0.271  26.184  26.184
  289    H    GLY   4           H        GLY   4  -1.342  22.960  22.960
  290   1HA   GLY   4          2HA       GLY   4  -3.669  24.039  24.039
  291   2HA   GLY   4          1HA       GLY   4  -3.691  24.347  24.347
  292    H    GLY   5           H        GLY   5  -2.915  21.650  21.650
  293   1HA   GLY   5          2HA       GLY   5  -4.947  19.937  19.937
  294   2HA   GLY   5          1HA       GLY   5  -3.416  19.554  19.554
  295    H    MET   6           H        MET   6  -4.485  20.398  20.398
  296    HA   MET   6           HA       MET   6  -2.513  18.680  18.680
  297   1HB   MET   6          2HB       MET   6  -3.436  20.800  20.800
  298   2HB   MET   6          1HB       MET   6  -4.923  19.902  19.902
  299   1HG   MET   6          2HG       MET   6  -3.790  19.521  19.521
  300   2HG   MET   6          1HG       MET   6  -3.251  18.132  18.132
  301   1HE   MET   6          1HE       MET   6  -2.170  19.992  19.992
  302   2HE   MET   6          3HE       MET   6  -0.729  20.952  20.952
  303   3HE   MET   6          2HE       MET   6  -2.319  21.519  21.519
  304    H    ARG   7           H        ARG   7  -6.072  18.678  18.678
  305    HA   ARG   7           HA       ARG   7  -6.121  15.928  15.928
  306   1HB   ARG   7          2HB       ARG   7  -8.323  17.841  17.841
  307   2HB   ARG   7          1HB       ARG   7  -8.610  16.202  16.202
  308   1HG   ARG   7          2HG       ARG   7  -6.991  17.020  17.020
  309   2HG   ARG   7          1HG       ARG   7  -7.619  18.598  18.598
  310   1HD   ARG   7          2HD       ARG   7  -9.229  17.976  17.976
  311   2HD   ARG   7          1HD       ARG   7  -9.940  17.328  17.328
  312    HE   ARG   7           HE       ARG   7  -8.252  15.389  15.389
  313   1HH1  ARG   7          1HH1      ARG   7 -11.377  16.935  16.935
  314   2HH1  ARG   7          2HH1      ARG   7 -12.089  15.587  15.587
  315   1HH2  ARG   7          1HH2      ARG   7  -9.220  13.654  13.654
  316   2HH2  ARG   7          2HH2      ARG   7 -10.879  13.746  13.746
  317    H    ARG   8           H        ARG   8  -6.563  17.660  17.660
  318    HA   ARG   8           HA       ARG   8  -7.801  15.630  15.630
  319   1HB   ARG   8          2HB       ARG   8  -6.093  17.998  17.998
  320   2HB   ARG   8          1HB       ARG   8  -6.550  16.837  16.837
  321   1HG   ARG   8          2HG       ARG   8  -8.931  17.153  17.153
  322   2HG   ARG   8          1HG       ARG   8  -8.474  18.319  18.319
  323   1HD   ARG   8          2HD       ARG   8  -9.073  19.602  19.602
  324   2HD   ARG   8          1HD       ARG   8  -7.315  19.643  19.643
  325    HE   ARG   8           HE       ARG   8  -7.232  18.453  18.453
  326   1HH1  ARG   8          1HH1      ARG   8 -10.454  18.254  18.254
  327   2HH1  ARG   8          2HH1      ARG   8 -11.117  17.484  17.484
  328   1HH2  ARG   8          1HH2      ARG   8  -8.137  17.449  17.449
  329   2HH2  ARG   8          2HH2      ARG   8  -9.818  17.031  17.031
  330    H    LYS   9           H        LYS   9  -4.359  16.456  16.456
  331    HA   LYS   9           HA       LYS   9  -3.441  14.258  14.258
  332   1HB   LYS   9          2HB       LYS   9  -1.955  15.964  15.964
  333   2HB   LYS   9          1HB       LYS   9  -1.208  14.851  14.851
  334   1HG   LYS   9          2HG       LYS   9  -3.054  17.054  17.054
  335   2HG   LYS   9          1HG       LYS   9  -1.330  17.340  17.340
  336   1HD   LYS   9          2HD       LYS   9  -1.151  15.098  15.098
  337   2HD   LYS   9          1HD       LYS   9  -2.701  15.682  15.682
  338   1HE   LYS   9          2HE       LYS   9  -1.585  17.927  17.927
  339   2HE   LYS   9          1HE       LYS   9  -0.049  17.139  17.139
  340   1HZ   LYS   9          2HZ       LYS   9  -1.952  16.326  16.326
  341   2HZ   LYS   9          1HZ       LYS   9  -0.506  17.182  17.182
  342   3HZ   LYS   9          3HZ       LYS   9  -0.459  15.588  15.588
  343    H    ASN  10           H        ASN  10  -3.690  14.884  14.884
  344    HA   ASN  10           HA       ASN  10  -2.508  12.468  12.468
  345   1HB   ASN  10          2HB       ASN  10  -4.303  14.512  14.512
  346   2HB   ASN  10          1HB       ASN  10  -4.107  12.962  12.962
  347   1HD2  ASN  10          1HD2      ASN  10  -2.481  15.950  15.950
  348   2HD2  ASN  10          2HD2      ASN  10  -1.042  15.631  15.631
  349    H    ASP  11           H        ASP  11  -5.783  13.311  13.311
  350    HA   ASP  11           HA       ASP  11  -7.070  10.966  10.966
  351   1HB   ASP  11          2HB       ASP  11  -7.733  13.070  13.070
  352   2HB   ASP  11          1HB       ASP  11  -8.696  11.593  11.593
  353    H    THR  12           H        THR  12  -5.507  11.799  11.799
  354    HA   THR  12           HA       THR  12  -6.235   9.486   9.486
  355    HB   THR  12           HB       THR  12  -3.569  10.785  10.785
  356    HG1  THR  12           HG1      THR  12  -4.754  12.442  12.442
  357   1HG2  THR  12          2HG2      THR  12  -5.733   9.494   9.494
  358   2HG2  THR  12          1HG2      THR  12  -4.658  10.660  10.660
  359   3HG2  THR  12          3HG2      THR  12  -3.994   9.207   9.207
  360    H    HIS  13           H        HIS  13  -3.664  10.137  10.137
  361    HA   HIS  13           HA       HIS  13  -2.259   7.666   7.666
  362   1HB   HIS  13          2HB       HIS  13  -2.062   9.676   9.676
  363   2HB   HIS  13          1HB       HIS  13  -1.004   8.275   8.275
  364    HD1  HIS  13           HD1      HIS  13   0.102   8.171   8.171
  365    HD2  HIS  13           HD2      HIS  13  -1.005  11.890  11.890
  366    HE1  HIS  13           HE1      HIS  13   1.349   9.903   9.903
  367    H    GLN  14           H        GLN  14  -4.723   8.813   8.813
  368    HA   GLN  14           HA       GLN  14  -4.618   6.628   6.628
  369   1HB   GLN  14          2HB       GLN  14  -5.823   8.970   8.970
  370   2HB   GLN  14          1HB       GLN  14  -7.176   8.087   8.087
  371   1HG   GLN  14          2HG       GLN  14  -7.475   6.775   6.775
  372   2HG   GLN  14          1HG       GLN  14  -5.755   6.757   6.757
  373   1HE2  GLN  14          2HE2      GLN  14  -6.122   9.299   9.299
  374   2HE2  GLN  14          1HE2      GLN  14  -5.250   7.955   7.955
  375    H    GLN  15           H        GLN  15  -6.741   7.348   7.348
  376    HA   GLN  15           HA       GLN  15  -8.279   4.993   4.993
  377   1HB   GLN  15          2HB       GLN  15  -8.836   5.448   5.448
  378   2HB   GLN  15          1HB       GLN  15  -8.978   6.891   6.891
  379   1HG   GLN  15          2HG       GLN  15  -6.697   7.584   7.584
  380   2HG   GLN  15          1HG       GLN  15  -6.632   6.177   6.177
  381   1HE2  GLN  15          2HE2      GLN  15  -8.548   7.698   7.698
  382   2HE2  GLN  15          1HE2      GLN  15  -7.610   6.369   6.369
  383    H    ASP  16           H        ASP  16  -5.226   5.713   5.713
  384    HA   ASP  16           HA       ASP  16  -5.038   3.230   3.230
  385   1HB   ASP  16          2HB       ASP  16  -3.704   5.482   5.482
  386   2HB   ASP  16          1HB       ASP  16  -2.600   4.749   4.749
  387    H    ILE  17           H        ILE  17  -3.799   4.416   4.416
  388    HA   ILE  17           HA       ILE  17  -2.261   2.155   2.155
  389    HB   ILE  17           HB       ILE  17  -3.548   4.387   4.387
  390   1HG1  ILE  17          2HG1      ILE  17  -0.671   3.466   3.466
  391   2HG1  ILE  17          1HG1      ILE  17  -1.416   4.676   4.676
  392   1HG2  ILE  17          1HG2      ILE  17  -2.462   1.817   1.817
  393   2HG2  ILE  17          3HG2      ILE  17  -2.076   3.314   3.314
  394   3HG2  ILE  17          2HG2      ILE  17  -3.759   2.840   2.840
  395   1HD1  ILE  17          1HD1      ILE  17  -1.400   4.924   4.924
  396   2HD1  ILE  17          3HD1      ILE  17  -0.119   5.591   5.591
  397   3HD1  ILE  17          2HD1      ILE  17  -1.775   6.174   6.174
  398    H    ASP  18           H        ASP  18  -5.281   3.080   3.080
  399    HA   ASP  18           HA       ASP  18  -5.905   0.758   0.758
  400   1HB   ASP  18          2HB       ASP  18  -7.506   3.016   3.016
  401   2HB   ASP  18          1HB       ASP  18  -8.411   1.547   1.547
  402    H    ASP  19           H        ASP  19  -6.284   1.421   1.421
  403    HA   ASP  19           HA       ASP  19  -7.951  -0.857  -0.857
  404   1HB   ASP  19          2HB       ASP  19  -7.825   1.180   1.180
  405   2HB   ASP  19          1HB       ASP  19  -6.202   0.675   0.675
  406    H    LEU  20           H        LEU  20  -4.492  -0.142  -0.142
  407    HA   LEU  20           HA       LEU  20  -3.700  -2.592  -2.592
  408   1HB   LEU  20          2HB       LEU  20  -2.213  -0.580  -0.580
  409   2HB   LEU  20          1HB       LEU  20  -1.440  -2.013  -2.013
  410    HG   LEU  20           HG       LEU  20  -3.017  -0.109  -0.109
  411   1HD1  LEU  20          1HD1      LEU  20  -0.134   0.059   0.059
  412   2HD1  LEU  20          3HD1      LEU  20  -0.696   0.805   0.805
  413   3HD1  LEU  20          2HD1      LEU  20  -1.364   1.321   1.321
  414   1HD2  LEU  20          3HD2      LEU  20  -2.177  -2.541  -2.541
  415   2HD2  LEU  20          2HD2      LEU  20  -2.009  -1.233  -1.233
  416   3HD2  LEU  20          1HD2      LEU  20  -0.623  -1.732  -1.732
  417    H    LYS  21           H        LYS  21  -3.924  -1.509  -1.509
  418    HA   LYS  21           HA       LYS  21  -2.877  -3.827  -3.827
  419   1HB   LYS  21          2HB       LYS  21  -4.958  -1.916  -1.916
  420   2HB   LYS  21          1HB       LYS  21  -4.009  -3.060  -3.060
  421   1HG   LYS  21          2HG       LYS  21  -1.927  -1.927  -1.927
  422   2HG   LYS  21          1HG       LYS  21  -2.964  -0.701  -0.701
  423   1HD   LYS  21          2HD       LYS  21  -3.687   0.112   0.112
  424   2HD   LYS  21          1HD       LYS  21  -3.252  -1.376  -1.376
  425   1HE   LYS  21          2HE       LYS  21  -1.147   0.335   0.335
  426   2HE   LYS  21          1HE       LYS  21  -1.706   0.676   0.676
  427   1HZ   LYS  21          2HZ       LYS  21  -1.202  -1.696  -1.696
  428   2HZ   LYS  21          1HZ       LYS  21  -0.446  -1.815  -1.815
  429   3HZ   LYS  21          3HZ       LYS  21   0.161  -0.745  -0.745
  430    H    ARG  22           H        ARG  22  -6.049  -3.072  -3.072
  431    HA   ARG  22           HA       ARG  22  -7.481  -5.180  -5.180
  432   1HB   ARG  22          2HB       ARG  22  -8.500  -3.175  -3.175
  433   2HB   ARG  22          1HB       ARG  22  -8.105  -3.950  -3.950
  434   1HG   ARG  22          2HG       ARG  22  -9.503  -5.681  -5.681
  435   2HG   ARG  22          1HG       ARG  22 -10.456  -4.334  -4.334
  436   1HD   ARG  22          2HD       ARG  22  -8.872  -5.971  -5.971
  437   2HD   ARG  22          1HD       ARG  22 -10.363  -6.648  -6.648
  438    HE   ARG  22           HE       ARG  22 -10.704  -3.961  -3.961
  439   1HH1  ARG  22          1HH1      ARG  22 -10.542  -7.326  -7.326
  440   2HH1  ARG  22          2HH1      ARG  22 -11.488  -7.087  -7.087
  441   1HH2  ARG  22          1HH2      ARG  22 -11.935  -3.693  -3.693
  442   2HH2  ARG  22          2HH2      ARG  22 -12.271  -5.048  -5.048
  443    H    GLN  23           H        GLN  23  -6.214  -4.885  -4.885
  444    HA   GLN  23           HA       GLN  23  -6.761  -7.548  -7.548
  445   1HB   GLN  23          2HB       GLN  23  -5.953  -5.393  -5.393
  446   2HB   GLN  23          1HB       GLN  23  -4.391  -6.189  -6.189
  447   1HG   GLN  23          2HG       GLN  23  -6.802  -7.735  -7.735
  448   2HG   GLN  23          1HG       GLN  23  -5.823  -6.811  -6.811
  449   1HE2  GLN  23          2HE2      GLN  23  -4.542 -10.416 -10.416
  450   2HE2  GLN  23          1HE2      GLN  23  -6.147  -9.882  -9.882
  451    H    ASN  24           H        ASN  24  -3.966  -6.035  -6.035
  452    HA   ASN  24           HA       ASN  24  -2.307  -8.378  -8.378
  453   1HB   ASN  24          2HB       ASN  24  -2.082  -5.895  -5.895
  454   2HB   ASN  24          1HB       ASN  24  -0.839  -7.135  -7.135
  455   1HD2  ASN  24          2HD2      ASN  24   0.301  -4.817  -4.817
  456   2HD2  ASN  24          1HD2      ASN  24   0.434  -5.165  -5.165
  457    H    ALA  25           H        ALA  25  -4.642  -7.078  -7.078
  458    HA   ALA  25           HA       ALA  25  -3.936  -8.490  -8.490
  459   1HB   ALA  25          2HB       ALA  25  -6.581  -7.466  -7.466
  460   2HB   ALA  25          1HB       ALA  25  -6.440  -8.303  -8.303
  461   3HB   ALA  25          3HB       ALA  25  -5.566  -6.794  -6.794
  462    H    LEU  26           H        LEU  26  -6.437  -9.336  -9.336
  463    HA   LEU  26           HA       LEU  26  -6.948 -11.912 -11.912
  464   1HB   LEU  26          2HB       LEU  26  -8.011 -12.369 -12.369
  465   2HB   LEU  26          1HB       LEU  26  -8.538 -10.839 -10.839
  466    HG   LEU  26           HG       LEU  26  -6.376 -10.000 -10.000
  467   1HD1  LEU  26          2HD1      LEU  26  -7.362 -12.548 -12.548
  468   2HD1  LEU  26          1HD1      LEU  26  -6.955 -11.226 -11.226
  469   3HD1  LEU  26          3HD1      LEU  26  -5.736 -11.864 -11.864
  470   1HD2  LEU  26          2HD2      LEU  26  -9.302 -10.226 -10.226
  471   2HD2  LEU  26          1HD2      LEU  26  -8.312  -8.783  -8.783
  472   3HD2  LEU  26          3HD2      LEU  26  -8.244  -9.674  -9.674
  473    H    LEU  27           H        LEU  27  -4.555 -10.694 -10.694
  474    HA   LEU  27           HA       LEU  27  -3.743 -13.154 -13.154
  475   1HB   LEU  27          2HB       LEU  27  -2.474 -10.459 -10.459
  476   2HB   LEU  27          1HB       LEU  27  -1.484 -11.820 -11.820
  477    HG   LEU  27           HG       LEU  27  -4.100 -11.015 -11.015
  478   1HD1  LEU  27          1HD1      LEU  27  -1.223 -10.367 -10.367
  479   2HD1  LEU  27          3HD1      LEU  27  -2.516 -10.285 -10.285
  480   3HD1  LEU  27          2HD1      LEU  27  -2.562  -9.243  -9.243
  481   1HD2  LEU  27          1HD2      LEU  27  -1.973 -13.081 -13.081
  482   2HD2  LEU  27          3HD2      LEU  27  -3.722 -13.291 -13.291
  483   3HD2  LEU  27          2HD2      LEU  27  -2.986 -12.466 -12.466
  484    H    GLU  28           H        GLU  28  -1.969 -11.234 -11.234
  485    HA   GLU  28           HA       GLU  28  -0.213 -13.266 -13.266
  486   1HB   GLU  28          2HB       GLU  28   0.150 -11.887 -11.887
  487   2HB   GLU  28          1HB       GLU  28   0.195 -10.934 -10.934
  488   1HG   GLU  28          2HG       GLU  28  -2.429 -10.731 -10.731
  489   2HG   GLU  28          1HG       GLU  28  -1.816 -10.936 -10.936
  490    H    GLN  29           H        GLN  29  -3.479 -12.533 -12.533
  491    HA   GLN  29           HA       GLN  29  -3.596 -13.986 -13.986
  492   1HB   GLN  29          2HB       GLN  29  -5.399 -12.477 -12.477
  493   2HB   GLN  29          1HB       GLN  29  -5.829 -13.748 -13.748
  494   1HG   GLN  29          2HG       GLN  29  -6.567 -15.198 -15.198
  495   2HG   GLN  29          1HG       GLN  29  -5.638 -14.372 -14.372
  496   1HE2  GLN  29          2HE2      GLN  29  -9.344 -13.405 -13.405
  497   2HE2  GLN  29          1HE2      GLN  29  -8.606 -14.926 -14.926
  498    H    GLN  30           H        GLN  30  -3.731 -15.027 -15.027
  499    HA   GLN  30           HA       GLN  30  -4.441 -17.762 -17.762
  500   1HB   GLN  30          2HB       GLN  30  -4.045 -16.248 -16.248
  501   2HB   GLN  30          1HB       GLN  30  -3.813 -17.997 -17.997
  502   1HG   GLN  30          2HG       GLN  30  -6.108 -17.753 -17.753
  503   2HG   GLN  30          1HG       GLN  30  -6.082 -18.101 -18.101
  504   1HE2  GLN  30          2HE2      GLN  30  -7.606 -14.607 -14.607
  505   2HE2  GLN  30          1HE2      GLN  30  -7.198 -15.868 -15.868
  506    H    VAL  31           H        VAL  31  -1.624 -15.876 -15.876
  507    HA   VAL  31           HA       VAL  31   0.141 -18.063 -18.063
  508    HB   VAL  31           HB       VAL  31   0.861 -15.269 -15.269
  509   1HG1  VAL  31          2HG1      VAL  31   2.661 -17.000 -17.000
  510   2HG1  VAL  31          1HG1      VAL  31   2.403 -17.311 -17.311
  511   3HG1  VAL  31          3HG1      VAL  31   2.989 -15.735 -15.735
  512   1HG2  VAL  31          1HG2      VAL  31  -0.103 -16.352 -16.352
  513   2HG2  VAL  31          3HG2      VAL  31  -0.250 -14.726 -14.726
  514   3HG2  VAL  31          2HG2      VAL  31   1.267 -15.244 -15.244
  515    H    ARG  32           H        ARG  32  -0.812 -16.242 -16.242
  516    HA   ARG  32           HA       ARG  32   1.189 -17.118 -17.118
  517   1HB   ARG  32          2HB       ARG  32  -0.841 -15.380 -15.380
  518   2HB   ARG  32          1HB       ARG  32  -1.569 -16.766 -16.766
  519   1HG   ARG  32          2HG       ARG  32   1.250 -16.105 -16.105
  520   2HG   ARG  32          1HG       ARG  32  -0.004 -15.016 -15.016
  521   1HD   ARG  32          2HD       ARG  32  -0.563 -17.912 -17.912
  522   2HD   ARG  32          1HD       ARG  32   0.745 -17.279 -17.279
  523    HE   ARG  32           HE       ARG  32  -1.552 -15.590 -15.590
  524   1HH1  ARG  32          1HH1      ARG  32  -0.271 -18.651 -18.651
  525   2HH1  ARG  32          2HH1      ARG  32  -1.218 -18.646 -18.646
  526   1HH2  ARG  32          1HH2      ARG  32  -2.768 -15.625 -15.625
  527   2HH2  ARG  32          2HH2      ARG  32  -2.621 -16.949 -16.949
  528    H    ALA  33           H        ALA  33  -1.768 -18.622 -18.622
  529    HA   ALA  33           HA       ALA  33  -1.930 -20.686 -20.686
  530   1HB   ALA  33          2HB       ALA  33  -3.019 -20.327 -20.327
  531   2HB   ALA  33          1HB       ALA  33  -3.177 -21.881 -21.881
  532   3HB   ALA  33          3HB       ALA  33  -3.888 -20.434 -20.434
  533    H    LEU  34           H        LEU  34  -0.145 -20.319 -20.319
  534    HA   LEU  34           HA       LEU  34   0.653 -23.035 -23.035
  535   1HB   LEU  34          2HB       LEU  34   1.411 -20.435 -20.435
  536   2HB   LEU  34          1HB       LEU  34   2.671 -21.666 -21.666
  537    HG   LEU  34           HG       LEU  34   1.301 -21.760 -21.760
  538   1HD1  LEU  34          1HD1      LEU  34   2.165 -23.857 -23.857
  539   2HD1  LEU  34          3HD1      LEU  34   0.435 -24.204 -24.204
  540   3HD1  LEU  34          2HD1      LEU  34   1.279 -24.056 -24.056
  541   1HD2  LEU  34          2HD2      LEU  34  -0.975 -22.372 -22.372
  542   2HD2  LEU  34          1HD2      LEU  34  -0.810 -20.909 -20.909
  543   3HD2  LEU  34          3HD2      LEU  34  -1.070 -22.465 -22.465
  544   1HN   NH2  35          1HT       LEU  34   2.161 -20.260 -20.260
  545   2HN   NH2  35          2HT       LEU  34   3.345 -21.186 -21.186

  Start of MODEL   11
    1   1H    ACE   2          1HA       ACE   2  -0.094  28.127  28.127
    2   2H    ACE   2          2HA       ACE   2  -0.570  28.452  28.452
    3   3H    ACE   2          3HA       ACE   2   1.107  28.680  28.680
    4    H    CYS   3           H        CYS   3   1.975  27.231  27.231
    5    HA   CYS   3           HA       CYS   3   1.099  24.421  24.421
    6   1HB   CYS   3          2HB       CYS   3   2.653  25.978  25.978
    7   2HB   CYS   3          1HB       CYS   3   2.713  24.215  24.215
    8    H    GLY   4           H        GLY   4   2.469  22.801  22.801
    9   1HA   GLY   4          2HA       GLY   4   5.199  22.725  22.725
   10   2HA   GLY   4          1HA       GLY   4   4.709  23.535  23.535
   11    H    GLY   5           H        GLY   5   5.100  20.553  20.553
   12   1HA   GLY   5          2HA       GLY   5   5.271  18.649  18.649
   13   2HA   GLY   5          1HA       GLY   5   3.673  19.141  19.141
   14    H    VAL   6           H        VAL   6   2.729  19.795  19.795
   15    HA   VAL   6           HA       VAL   6   1.648  17.277  17.277
   16    HB   VAL   6           HB       VAL   6   1.779  19.761  19.761
   17   1HG1  VAL   6          3HG1      VAL   6   0.974  17.349  17.349
   18   2HG1  VAL   6          2HG1      VAL   6  -0.495  17.816  17.816
   19   3HG1  VAL   6          1HG1      VAL   6   0.095  18.800  18.800
   20   1HG2  VAL   6          2HG2      VAL   6  -0.027  18.980  18.980
   21   2HG2  VAL   6          1HG2      VAL   6   0.822  20.505  20.505
   22   3HG2  VAL   6          3HG2      VAL   6  -0.568  20.092  20.092
   23    H    GLN   7           H        GLN   7   4.282  19.238  19.238
   24    HA   GLN   7           HA       GLN   7   4.819  17.721  17.721
   25   1HB   GLN   7          2HB       GLN   7   7.083  18.721  18.721
   26   2HB   GLN   7          1HB       GLN   7   5.819  19.925  19.925
   27   1HG   GLN   7          2HG       GLN   7   6.142  19.679  19.679
   28   2HG   GLN   7          1HG       GLN   7   7.500  18.601  18.601
   29   1HE2  GLN   7          2HE2      GLN   7   9.332  21.398  21.398
   30   2HE2  GLN   7          1HE2      GLN   7   8.818  19.849  19.849
   31    H    ALA   8           H        ALA   8   5.953  17.385  17.385
   32    HA   ALA   8           HA       ALA   8   7.741  15.209  15.209
   33   1HB   ALA   8          2HB       ALA   8   8.029  16.737  16.737
   34   2HB   ALA   8          1HB       ALA   8   6.591  16.013  16.013
   35   3HB   ALA   8          3HB       ALA   8   8.026  15.028  15.028
   36    H    GLU   9           H        GLU   9   4.503  15.509  15.509
   37    HA   GLU   9           HA       GLU   9   4.112  12.776  12.776
   38   1HB   GLU   9          2HB       GLU   9   2.690  14.795  14.795
   39   2HB   GLU   9          1HB       GLU   9   1.888  14.631  14.631
   40   1HG   GLU   9          2HG       GLU   9   0.538  13.214  13.214
   41   2HG   GLU   9          1HG       GLU   9   1.806  12.059  12.059
   42    H    GLU  10           H        GLU  10   3.651  14.669  14.669
   43    HA   GLU  10           HA       GLU  10   2.206  12.697  12.697
   44   1HB   GLU  10          2HB       GLU  10   2.443  15.197  15.197
   45   2HB   GLU  10          1HB       GLU  10   4.007  14.773  14.773
   46   1HG   GLU  10          2HG       GLU  10   3.023  13.358  13.358
   47   2HG   GLU  10          1HG       GLU  10   1.479  13.312  13.312
   48    H    GLN  11           H        GLN  11   5.633  13.446  13.446
   49    HA   GLN  11           HA       GLN  11   6.649  11.747  11.747
   50   1HB   GLN  11          2HB       GLN  11   7.896  13.524  13.524
   51   2HB   GLN  11          1HB       GLN  11   8.066  12.261  12.261
   52   1HG   GLN  11          2HG       GLN  11   9.212  10.814  10.814
   53   2HG   GLN  11          1HG       GLN  11   8.928  11.960  11.960
   54   1HE2  GLN  11          2HE2      GLN  11  11.293  14.369  14.369
   55   2HE2  GLN  11          1HE2      GLN  11   9.717  14.362  14.362
   56    H    LYS  12           H        LYS  12   5.597  11.150  11.150
   57    HA   LYS  12           HA       LYS  12   6.676   8.486   8.486
   58   1HB   LYS  12          2HB       LYS  12   4.873  10.163  10.163
   59   2HB   LYS  12          1HB       LYS  12   4.856   8.416   8.416
   60   1HG   LYS  12          2HG       LYS  12   6.539   9.147   9.147
   61   2HG   LYS  12          1HG       LYS  12   7.443   8.613   8.613
   62   1HD   LYS  12          2HD       LYS  12   7.339  11.020  11.020
   63   2HD   LYS  12          1HD       LYS  12   6.740  11.450  11.450
   64   1HE   LYS  12          2HE       LYS  12   9.001  11.732  11.732
   65   2HE   LYS  12          1HE       LYS  12   8.861  10.020  10.020
   66   1HZ   LYS  12          3HZ       LYS  12   9.394   9.549   9.549
   67   2HZ   LYS  12          2HZ       LYS  12   9.740  11.200  11.200
   68   3HZ   LYS  12          1HZ       LYS  12  10.664  10.263  10.263
   69    H    LEU  13           H        LEU  13   3.548   9.923   9.923
   70    HA   LEU  13           HA       LEU  13   2.013   7.567   7.567
   71   1HB   LEU  13          2HB       LEU  13   1.761  10.182  10.182
   72   2HB   LEU  13          1HB       LEU  13   0.572   8.884   8.884
   73    HG   LEU  13           HG       LEU  13   1.400   9.760   9.760
   74   1HD1  LEU  13          3HD1      LEU  13  -0.124  11.397  11.397
   75   2HD1  LEU  13          2HD1      LEU  13  -0.686  11.387  11.387
   76   3HD1  LEU  13          1HD1      LEU  13   0.952  11.923  11.923
   77   1HD2  LEU  13          3HD2      LEU  13  -0.169   7.850   7.850
   78   2HD2  LEU  13          2HD2      LEU  13  -0.891   9.131   9.131
   79   3HD2  LEU  13          1HD2      LEU  13  -1.280   9.003   9.003
   80    H    ILE  14           H        ILE  14   3.992   9.172   9.172
   81    HA   ILE  14           HA       ILE  14   3.295   7.402   7.402
   82    HB   ILE  14           HB       ILE  14   5.778   9.112   9.112
   83   1HG1  ILE  14          2HG1      ILE  14   3.173   9.745   9.745
   84   2HG1  ILE  14          1HG1      ILE  14   3.579  10.332  10.332
   85   1HG2  ILE  14          2HG2      ILE  14   4.432   7.921   7.921
   86   2HG2  ILE  14          1HG2      ILE  14   5.821   9.007   9.007
   87   3HG2  ILE  14          3HG2      ILE  14   5.972   7.400   7.400
   88   1HD1  ILE  14          3HD1      ILE  14   5.743  11.239  11.239
   89   2HD1  ILE  14          2HD1      ILE  14   4.936  10.971  10.971
   90   3HD1  ILE  14          1HD1      ILE  14   4.242  12.089  12.089
   91    H    SER  15           H        SER  15   6.174   7.651   7.651
   92    HA   SER  15           HA       SER  15   7.549   5.431   5.431
   93   1HB   SER  15          2HB       SER  15   8.721   6.946   6.946
   94   2HB   SER  15          1HB       SER  15   7.574   6.688   6.688
   95    HG   SER  15           HG       SER  15   9.570   4.983   4.983
   96    H    GLU  16           H        GLU  16   5.255   5.654   5.654
   97    HA   GLU  16           HA       GLU  16   5.408   2.961   2.961
   98   1HB   GLU  16          2HB       GLU  16   3.468   5.185   5.185
   99   2HB   GLU  16          1HB       GLU  16   2.883   3.550   3.550
  100   1HG   GLU  16          2HG       GLU  16   3.783   4.449   4.449
  101   2HG   GLU  16          1HG       GLU  16   4.864   3.179   3.179
  102    H    GLU  17           H        GLU  17   3.527   4.568   4.568
  103    HA   GLU  17           HA       GLU  17   1.797   2.378   2.378
  104   1HB   GLU  17          2HB       GLU  17   1.750   4.949   4.949
  105   2HB   GLU  17          1HB       GLU  17   2.544   4.281   4.281
  106   1HG   GLU  17          2HG       GLU  17   0.704   2.599   2.599
  107   2HG   GLU  17          1HG       GLU  17  -0.111   3.393   3.393
  108    H    ASP  18           H        ASP  18   4.960   3.392   3.392
  109    HA   ASP  18           HA       ASP  18   5.168   1.620   1.620
  110   1HB   ASP  18          2HB       ASP  18   6.700   3.596   3.596
  111   2HB   ASP  18          1HB       ASP  18   7.508   2.476   2.476
  112    H    LEU  19           H        LEU  19   5.955   1.283   1.283
  113    HA   LEU  19           HA       LEU  19   7.250  -1.222  -1.222
  114   1HB   LEU  19          2HB       LEU  19   5.843   0.295   0.295
  115   2HB   LEU  19          1HB       LEU  19   6.294  -1.388  -1.388
  116    HG   LEU  19           HG       LEU  19   8.608  -0.498  -0.498
  117   1HD1  LEU  19          3HD1      LEU  19   7.136   1.889   1.889
  118   2HD1  LEU  19          2HD1      LEU  19   8.878   1.786   1.786
  119   3HD1  LEU  19          1HD1      LEU  19   8.224   1.771   1.771
  120   1HD2  LEU  19          2HD2      LEU  19   7.928  -1.515  -1.515
  121   2HD2  LEU  19          1HD2      LEU  19   9.461  -0.660  -0.660
  122   3HD2  LEU  19          3HD2      LEU  19   8.072   0.155   0.155
  123    H    LEU  20           H        LEU  20   3.849  -0.340  -0.340
  124    HA   LEU  20           HA       LEU  20   2.892  -2.997  -2.997
  125   1HB   LEU  20          2HB       LEU  20   1.659  -0.341  -0.341
  126   2HB   LEU  20          1HB       LEU  20   0.700  -1.783  -1.783
  127    HG   LEU  20           HG       LEU  20   2.123  -1.353  -1.353
  128   1HD1  LEU  20          1HD1      LEU  20   0.450   0.468   0.468
  129   2HD1  LEU  20          3HD1      LEU  20  -0.787  -0.780  -0.780
  130   3HD1  LEU  20          2HD1      LEU  20   0.039  -0.524  -0.524
  131   1HD2  LEU  20          2HD2      LEU  20  -0.105  -3.175  -3.175
  132   2HD2  LEU  20          1HD2      LEU  20   1.512  -3.657  -3.657
  133   3HD2  LEU  20          3HD2      LEU  20   0.365  -3.011  -3.011
  134    H    ARG  21           H        ARG  21   3.519  -0.979  -0.979
  135    HA   ARG  21           HA       ARG  21   2.092  -2.440  -2.440
  136   1HB   ARG  21          2HB       ARG  21   4.399  -0.545  -0.545
  137   2HB   ARG  21          1HB       ARG  21   4.077  -1.506  -1.506
  138   1HG   ARG  21          2HG       ARG  21   2.101  -0.436  -0.436
  139   2HG   ARG  21          1HG       ARG  21   1.714  -0.230  -0.230
  140   1HD   ARG  21          2HD       ARG  21   2.222   1.927   1.927
  141   2HD   ARG  21          1HD       ARG  21   3.286   1.601   1.601
  142    HE   ARG  21           HE       ARG  21   4.648   0.570   0.570
  143   1HH1  ARG  21          1HH1      ARG  21   3.189   3.680   3.680
  144   2HH1  ARG  21          2HH1      ARG  21   4.328   4.551   4.551
  145   1HH2  ARG  21          1HH2      ARG  21   6.111   1.744   1.744
  146   2HH2  ARG  21          2HH2      ARG  21   5.969   3.466   3.466
  147    H    LYS  22           H        LYS  22   5.477  -2.675  -2.675
  148    HA   LYS  22           HA       LYS  22   6.028  -4.946  -4.946
  149   1HB   LYS  22          2HB       LYS  22   8.170  -5.052  -5.052
  150   2HB   LYS  22          1HB       LYS  22   7.850  -3.451  -3.451
  151   1HG   LYS  22          2HG       LYS  22   7.171  -2.596  -2.596
  152   2HG   LYS  22          1HG       LYS  22   7.086  -4.212  -4.212
  153   1HD   LYS  22          2HD       LYS  22   9.162  -3.645  -3.645
  154   2HD   LYS  22          1HD       LYS  22   9.661  -4.223  -4.223
  155   1HE   LYS  22          2HE       LYS  22   9.298  -1.812  -1.812
  156   2HE   LYS  22          1HE       LYS  22   9.231  -1.370  -1.370
  157   1HZ   LYS  22          3HZ       LYS  22  11.418  -2.730  -2.730
  158   2HZ   LYS  22          2HZ       LYS  22  11.487  -2.431  -2.431
  159   3HZ   LYS  22          1HZ       LYS  22  11.451  -1.134  -1.134
  160    H    ARG  23           H        ARG  23   4.925  -4.437  -4.437
  161    HA   ARG  23           HA       ARG  23   5.519  -6.960  -6.960
  162   1HB   ARG  23          2HB       ARG  23   4.577  -4.815  -4.815
  163   2HB   ARG  23          1HB       ARG  23   3.002  -5.473  -5.473
  164   1HG   ARG  23          2HG       ARG  23   3.910  -7.682  -7.682
  165   2HG   ARG  23          1HG       ARG  23   5.067  -6.614  -6.614
  166   1HD   ARG  23          2HD       ARG  23   3.283  -5.320  -5.320
  167   2HD   ARG  23          1HD       ARG  23   2.069  -6.192  -6.192
  168    HE   ARG  23           HE       ARG  23   2.198  -7.924  -7.924
  169   1HH1  ARG  23          1HH1      ARG  23   4.939  -5.782  -5.782
  170   2HH1  ARG  23          2HH1      ARG  23   5.467  -6.546  -6.546
  171   1HH2  ARG  23          1HH2      ARG  23   2.922  -8.889  -8.889
  172   2HH2  ARG  23          2HH2      ARG  23   4.338  -8.290  -8.290
  173    H    ARG  24           H        ARG  24   2.419  -5.798  -5.798
  174    HA   ARG  24           HA       ARG  24   1.137  -8.308  -8.308
  175   1HB   ARG  24          2HB       ARG  24  -0.452  -7.293  -7.293
  176   2HB   ARG  24          1HB       ARG  24  -0.139  -6.242  -6.242
  177   1HG   ARG  24          2HG       ARG  24   1.803  -5.354  -5.354
  178   2HG   ARG  24          1HG       ARG  24   0.666  -5.916  -5.916
  179   1HD   ARG  24          2HD       ARG  24  -0.740  -4.456  -4.456
  180   2HD   ARG  24          1HD       ARG  24   0.574  -3.482  -3.482
  181    HE   ARG  24           HE       ARG  24  -0.573  -3.353  -3.353
  182   1HH1  ARG  24          1HH1      ARG  24  -1.988  -5.850  -5.850
  183   2HH1  ARG  24          2HH1      ARG  24  -3.343  -6.081  -6.081
  184   1HH2  ARG  24          1HH2      ARG  24  -2.355  -3.689  -3.689
  185   2HH2  ARG  24          2HH2      ARG  24  -3.551  -4.870  -4.870
  186    H    GLU  25           H        GLU  25   3.272  -6.777  -6.777
  187    HA   GLU  25           HA       GLU  25   2.769  -8.410  -8.410
  188   1HB   GLU  25          2HB       GLU  25   5.058  -6.719  -6.719
  189   2HB   GLU  25          1HB       GLU  25   5.331  -7.856  -7.856
  190   1HG   GLU  25          2HG       GLU  25   3.423  -6.895  -6.895
  191   2HG   GLU  25          1HG       GLU  25   3.138  -5.761  -5.761
  192    H    GLN  26           H        GLN  26   4.808  -8.859  -8.859
  193    HA   GLN  26           HA       GLN  26   6.082 -11.243 -11.243
  194   1HB   GLN  26          2HB       GLN  26   5.964  -9.913  -9.913
  195   2HB   GLN  26          1HB       GLN  26   6.735 -11.483 -11.483
  196   1HG   GLN  26          2HG       GLN  26   8.441 -10.616 -10.616
  197   2HG   GLN  26          1HG       GLN  26   7.461  -9.263  -9.263
  198   1HE2  GLN  26          2HE2      GLN  26   9.138  -8.967  -8.967
  199   2HE2  GLN  26          1HE2      GLN  26   8.709 -10.499 -10.499
  200    H    LEU  27           H        LEU  27   3.361 -10.491 -10.491
  201    HA   LEU  27           HA       LEU  27   2.856 -13.120 -13.120
  202   1HB   LEU  27          2HB       LEU  27   0.909 -10.834 -10.834
  203   2HB   LEU  27          1HB       LEU  27   0.598 -12.290 -12.290
  204    HG   LEU  27           HG       LEU  27   2.980 -10.532 -10.532
  205   1HD1  LEU  27          3HD1      LEU  27   0.501  -9.478  -9.478
  206   2HD1  LEU  27          2HD1      LEU  27   0.520 -10.273 -10.273
  207   3HD1  LEU  27          1HD1      LEU  27   1.743  -9.066  -9.066
  208   1HD2  LEU  27          2HD2      LEU  27   2.385 -12.994 -12.994
  209   2HD2  LEU  27          1HD2      LEU  27   3.173 -11.791 -11.791
  210   3HD2  LEU  27          3HD2      LEU  27   1.433 -12.053 -12.053
  211    H    LYS  28           H        LYS  28   1.762 -11.324 -11.324
  212    HA   LYS  28           HA       LYS  28  -0.101 -13.266 -13.266
  213   1HB   LYS  28          2HB       LYS  28   1.390 -11.043 -11.043
  214   2HB   LYS  28          1HB       LYS  28   0.238 -12.088 -12.088
  215   1HG   LYS  28          2HG       LYS  28  -1.581 -11.248 -11.248
  216   2HG   LYS  28          1HG       LYS  28  -0.610 -10.805 -10.805
  217   1HD   LYS  28          2HD       LYS  28   0.091  -8.808  -8.808
  218   2HD   LYS  28          1HD       LYS  28  -0.068  -9.409  -9.409
  219   1HE   LYS  28          2HE       LYS  28  -2.467  -9.238  -9.238
  220   2HE   LYS  28          1HE       LYS  28  -2.437  -8.900  -8.900
  221   1HZ   LYS  28          1HZ       LYS  28  -1.206  -6.858  -6.858
  222   2HZ   LYS  28          3HZ       LYS  28  -1.319  -7.174  -7.174
  223   3HZ   LYS  28          2HZ       LYS  28  -2.726  -6.869  -6.869
  224    H    HIS  29           H        HIS  29   3.348 -12.770 -12.770
  225    HA   HIS  29           HA       HIS  29   3.736 -14.590 -14.590
  226   1HB   HIS  29          2HB       HIS  29   5.525 -13.480 -13.480
  227   2HB   HIS  29          1HB       HIS  29   6.108 -14.747 -14.747
  228    HD1  HIS  29           HD1      HIS  29   4.780 -13.902 -13.902
  229    HD2  HIS  29           HD2      HIS  29   6.666 -11.214 -11.214
  230    HE1  HIS  29           HE1      HIS  29   5.416 -11.893 -11.893
  231    H    LYS  30           H        LYS  30   3.462 -15.018 -15.018
  232    HA   LYS  30           HA       LYS  30   4.404 -17.718 -17.718
  233   1HB   LYS  30          2HB       LYS  30   2.788 -16.033 -16.033
  234   2HB   LYS  30          1HB       LYS  30   3.135 -17.732 -17.732
  235   1HG   LYS  30          2HG       LYS  30   5.515 -17.330 -17.330
  236   2HG   LYS  30          1HG       LYS  30   5.271 -15.676 -15.676
  237   1HD   LYS  30          2HD       LYS  30   5.728 -15.579 -15.579
  238   2HD   LYS  30          1HD       LYS  30   4.016 -15.221 -15.221
  239   1HE   LYS  30          2HE       LYS  30   3.451 -17.566 -17.566
  240   2HE   LYS  30          1HE       LYS  30   5.161 -17.927 -17.927
  241   1HZ   LYS  30          1HZ       LYS  30   3.675 -15.870 -15.870
  242   2HZ   LYS  30          3HZ       LYS  30   3.937 -17.454 -17.454
  243   3HZ   LYS  30          2HZ       LYS  30   5.257 -16.417 -16.417
  244    H    LEU  31           H        LEU  31   1.200 -16.212 -16.212
  245    HA   LEU  31           HA       LEU  31  -0.327 -18.580 -18.580
  246   1HB   LEU  31          2HB       LEU  31  -0.995 -15.986 -15.986
  247   2HB   LEU  31          1HB       LEU  31  -1.305 -16.364 -16.364
  248    HG   LEU  31           HG       LEU  31  -2.413 -17.955 -17.955
  249   1HD1  LEU  31          3HD1      LEU  31  -3.509 -15.660 -15.660
  250   2HD1  LEU  31          2HD1      LEU  31  -4.597 -16.872 -16.872
  251   3HD1  LEU  31          1HD1      LEU  31  -3.569 -15.916 -15.916
  252   1HD2  LEU  31          1HD2      LEU  31  -2.629 -18.101 -18.101
  253   2HD2  LEU  31          3HD2      LEU  31  -2.413 -19.408 -19.408
  254   3HD2  LEU  31          2HD2      LEU  31  -3.986 -18.631 -18.631
  255    H    GLU  32           H        GLU  32   0.902 -16.772 -16.772
  256    HA   GLU  32           HA       GLU  32  -0.184 -18.458 -18.458
  257   1HB   GLU  32          2HB       GLU  32   1.106 -16.098 -16.098
  258   2HB   GLU  32          1HB       GLU  32   2.438 -17.165 -17.165
  259   1HG   GLU  32          2HG       GLU  32  -0.159 -17.702 -17.702
  260   2HG   GLU  32          1HG       GLU  32   0.651 -16.205 -16.205
  261    H    GLN  33           H        GLN  33   2.806 -18.577 -18.577
  262    HA   GLN  33           HA       GLN  33   4.136 -20.573 -20.573
  263   1HB   GLN  33          2HB       GLN  33   4.341 -19.521 -19.521
  264   2HB   GLN  33          1HB       GLN  33   5.131 -21.054 -21.054
  265   1HG   GLN  33          2HG       GLN  33   6.167 -19.879 -19.879
  266   2HG   GLN  33          1HG       GLN  33   5.599 -18.368 -18.368
  267   1HE2  GLN  33          2HE2      GLN  33   8.552 -20.461 -20.461
  268   2HE2  GLN  33          1HE2      GLN  33   7.486 -21.299 -21.299
  269    H    LEU  34           H        LEU  34   1.797 -20.742 -20.742
  270    HA   LEU  34           HA       LEU  34   0.535 -22.477 -22.477
  271   1HB   LEU  34          2HB       LEU  34   1.130 -23.389 -23.389
  272   2HB   LEU  34          1HB       LEU  34   0.346 -24.497 -24.497
  273    HG   LEU  34           HG       LEU  34  -0.666 -21.683 -21.683
  274   1HD1  LEU  34          2HD1      LEU  34  -1.160 -24.169 -24.169
  275   2HD1  LEU  34          1HD1      LEU  34  -2.417 -22.942 -22.942
  276   3HD1  LEU  34          3HD1      LEU  34  -0.865 -22.521 -22.521
  277   1HD2  LEU  34          2HD2      LEU  34  -1.675 -24.239 -24.239
  278   2HD2  LEU  34          1HD2      LEU  34  -1.644 -22.616 -22.616
  279   3HD2  LEU  34          3HD2      LEU  34  -2.815 -23.019 -23.019
  280   1HN   NH2  35          1HT       LEU  34   0.744 -24.750 -24.750
  281   2HN   NH2  35          2HT       LEU  34   2.301 -25.383 -25.383
  282   1H    ACE   2          1HA       ACE   2  -1.232  26.563  26.563
  283   2H    ACE   2          2HA       ACE   2  -0.724  28.088  28.088
  284   3H    ACE   2          3HA       ACE   2  -2.028  27.154  27.154
  285    H    CYS   3           H        CYS   3  -1.425  24.923  24.923
  286    HA   CYS   3           HA       CYS   3   1.141  25.051  25.051
  287   1HB   CYS   3          2HB       CYS   3  -1.182  24.467  24.467
  288   2HB   CYS   3          1HB       CYS   3  -0.880  22.866  22.866
  289    H    GLY   4           H        GLY   4  -0.683  22.968  22.968
  290   1HA   GLY   4          2HA       GLY   4   0.988  22.015  22.015
  291   2HA   GLY   4          1HA       GLY   4   1.679  21.233  21.233
  292    H    GLY   5           H        GLY   5   1.023  19.223  19.223
  293   1HA   GLY   5          2HA       GLY   5  -1.001  17.949  17.949
  294   2HA   GLY   5          1HA       GLY   5  -0.245  17.299  17.299
  295    H    MET   6           H        MET   6  -0.996  19.412  19.412
  296    HA   MET   6           HA       MET   6  -2.700  19.990  19.990
  297   1HB   MET   6          2HB       MET   6  -4.002  20.016  20.016
  298   2HB   MET   6          1HB       MET   6  -5.055  20.044  20.044
  299   1HG   MET   6          2HG       MET   6  -4.137  22.065  22.065
  300   2HG   MET   6          1HG       MET   6  -2.691  21.904  21.904
  301   1HE   MET   6          3HE       MET   6  -5.742  23.306  23.306
  302   2HE   MET   6          2HE       MET   6  -4.909  24.690  24.690
  303   3HE   MET   6          1HE       MET   6  -6.408  24.113  24.113
  304    H    ARG   7           H        ARG   7  -5.131  19.217  19.217
  305    HA   ARG   7           HA       ARG   7  -4.887  16.587  16.587
  306   1HB   ARG   7          2HB       ARG   7  -7.352  18.300  18.300
  307   2HB   ARG   7          1HB       ARG   7  -7.328  16.780  16.780
  308   1HG   ARG   7          2HG       ARG   7  -5.691  17.684  17.684
  309   2HG   ARG   7          1HG       ARG   7  -5.594  19.182  19.182
  310   1HD   ARG   7          2HD       ARG   7  -7.074  19.452  19.452
  311   2HD   ARG   7          1HD       ARG   7  -7.972  19.625  19.625
  312    HE   ARG   7           HE       ARG   7  -8.024  16.925  16.925
  313   1HH1  ARG   7          1HH1      ARG   7  -9.453  20.096  20.096
  314   2HH1  ARG   7          2HH1      ARG   7 -10.940  19.472  19.472
  315   1HH2  ARG   7          1HH2      ARG   7  -9.979  16.155  16.155
  316   2HH2  ARG   7          2HH2      ARG   7 -11.237  17.261  17.261
  317    H    ARG   8           H        ARG   8  -6.123  17.839  17.839
  318    HA   ARG   8           HA       ARG   8  -7.719  15.683  15.683
  319   1HB   ARG   8          2HB       ARG   8  -6.071  17.689  17.689
  320   2HB   ARG   8          1HB       ARG   8  -7.040  16.456  16.456
  321   1HG   ARG   8          2HG       ARG   8  -8.905  17.367  17.367
  322   2HG   ARG   8          1HG       ARG   8  -7.923  18.829  18.829
  323   1HD   ARG   8          2HD       ARG   8  -9.204  17.310  17.310
  324   2HD   ARG   8          1HD       ARG   8  -9.609  18.930  18.930
  325    HE   ARG   8           HE       ARG   8  -7.465  18.221  18.221
  326   1HH1  ARG   8          1HH1      ARG   8  -8.429  20.480  20.480
  327   2HH1  ARG   8          2HH1      ARG   8  -7.372  21.728  21.728
  328   1HH2  ARG   8          1HH2      ARG   8  -6.102  19.874  19.874
  329   2HH2  ARG   8          2HH2      ARG   8  -6.064  21.389  21.389
  330    H    LYS   9           H        LYS   9  -4.251  16.298  16.298
  331    HA   LYS   9           HA       LYS   9  -3.765  13.876  13.876
  332   1HB   LYS   9          2HB       LYS   9  -2.312  16.054  16.054
  333   2HB   LYS   9          1HB       LYS   9  -1.625  15.240  15.240
  334   1HG   LYS   9          2HG       LYS   9  -0.225  14.390  14.390
  335   2HG   LYS   9          1HG       LYS   9  -1.518  13.193  13.193
  336   1HD   LYS   9          2HD       LYS   9  -2.583  14.575  14.575
  337   2HD   LYS   9          1HD       LYS   9  -1.171  15.631  15.631
  338   1HE   LYS   9          2HE       LYS   9   0.272  13.657  13.657
  339   2HE   LYS   9          1HE       LYS   9  -1.180  12.668  12.668
  340   1HZ   LYS   9          3HZ       LYS   9  -1.951  14.184  14.184
  341   2HZ   LYS   9          2HZ       LYS   9  -0.484  15.036  15.036
  342   3HZ   LYS   9          1HZ       LYS   9  -0.495  13.414  13.414
  343    H    ASN  10           H        ASN  10  -3.577  14.812  14.812
  344    HA   ASN  10           HA       ASN  10  -2.359  12.390  12.390
  345   1HB   ASN  10          2HB       ASN  10  -3.900  14.575  14.575
  346   2HB   ASN  10          1HB       ASN  10  -3.271  13.163  13.163
  347   1HD2  ASN  10          2HD2      ASN  10  -0.768  16.170  16.170
  348   2HD2  ASN  10          1HD2      ASN  10  -2.448  16.283  16.283
  349    H    ASP  11           H        ASP  11  -5.658  13.458  13.458
  350    HA   ASP  11           HA       ASP  11  -7.004  11.432  11.432
  351   1HB   ASP  11          2HB       ASP  11  -7.721  13.299  13.299
  352   2HB   ASP  11          1HB       ASP  11  -8.780  11.917  11.917
  353    H    THR  12           H        THR  12  -6.022  11.634  11.634
  354    HA   THR  12           HA       THR  12  -7.038   9.121   9.121
  355    HB   THR  12           HB       THR  12  -5.178   9.335   9.335
  356    HG1  THR  12           HG1      THR  12  -3.990  11.085  11.085
  357   1HG2  THR  12          3HG2      THR  12  -7.670  10.069  10.069
  358   2HG2  THR  12          2HG2      THR  12  -7.033  11.701  11.701
  359   3HG2  THR  12          1HG2      THR  12  -6.573  10.745  10.745
  360    H    HIS  13           H        HIS  13  -4.041  10.094  10.094
  361    HA   HIS  13           HA       HIS  13  -2.602   7.681   7.681
  362   1HB   HIS  13          2HB       HIS  13  -2.378   9.983   9.983
  363   2HB   HIS  13          1HB       HIS  13  -1.428   8.525   8.525
  364    HD1  HIS  13           HD1      HIS  13  -0.218   7.661   7.661
  365    HD2  HIS  13           HD2      HIS  13  -0.986  11.724  11.724
  366    HE1  HIS  13           HE1      HIS  13   1.280   8.891   8.891
  367    H    GLN  14           H        GLN  14  -4.630   8.852   8.852
  368    HA   GLN  14           HA       GLN  14  -4.311   6.660   6.660
  369   1HB   GLN  14          2HB       GLN  14  -6.583   8.615   8.615
  370   2HB   GLN  14          1HB       GLN  14  -6.591   7.372   7.372
  371   1HG   GLN  14          2HG       GLN  14  -4.376   9.410   9.410
  372   2HG   GLN  14          1HG       GLN  14  -5.701   9.581   9.581
  373   1HE2  GLN  14          2HE2      GLN  14  -4.333   7.293   7.293
  374   2HE2  GLN  14          1HE2      GLN  14  -5.648   8.290   8.290
  375    H    GLN  15           H        GLN  15  -6.362   7.142   7.142
  376    HA   GLN  15           HA       GLN  15  -7.977   4.797   4.797
  377   1HB   GLN  15          2HB       GLN  15  -7.733   6.829   6.829
  378   2HB   GLN  15          1HB       GLN  15  -8.456   5.271   5.271
  379   1HG   GLN  15          2HG       GLN  15 -10.326   6.471   6.471
  380   2HG   GLN  15          1HG       GLN  15  -9.838   5.676   5.676
  381   1HE2  GLN  15          2HE2      GLN  15  -9.804   9.692   9.692
  382   2HE2  GLN  15          1HE2      GLN  15 -10.458   8.726   8.726
  383    H    ASP  16           H        ASP  16  -5.069   5.592   5.592
  384    HA   ASP  16           HA       ASP  16  -4.970   3.187   3.187
  385   1HB   ASP  16          2HB       ASP  16  -3.643   5.499   5.499
  386   2HB   ASP  16          1HB       ASP  16  -2.450   4.597   4.597
  387    H    ILE  17           H        ILE  17  -3.364   4.245   4.245
  388    HA   ILE  17           HA       ILE  17  -1.866   1.905   1.905
  389    HB   ILE  17           HB       ILE  17  -2.838   4.163   4.163
  390   1HG1  ILE  17          2HG1      ILE  17  -0.186   3.963   3.963
  391   2HG1  ILE  17          1HG1      ILE  17  -0.298   3.149   3.149
  392   1HG2  ILE  17          1HG2      ILE  17  -1.677   1.554   1.554
  393   2HG2  ILE  17          3HG2      ILE  17  -1.419   3.064   3.064
  394   3HG2  ILE  17          2HG2      ILE  17  -3.055   2.454   2.454
  395   1HD1  ILE  17          1HD1      ILE  17  -1.602   5.827   5.827
  396   2HD1  ILE  17          3HD1      ILE  17   0.055   5.684   5.684
  397   3HD1  ILE  17          2HD1      ILE  17  -1.284   5.056   5.056
  398    H    ASP  18           H        ASP  18  -4.697   2.886   2.886
  399    HA   ASP  18           HA       ASP  18  -5.245   0.563   0.563
  400   1HB   ASP  18          2HB       ASP  18  -6.936   2.826   2.826
  401   2HB   ASP  18          1HB       ASP  18  -7.773   1.374   1.374
  402    H    ASP  19           H        ASP  19  -5.921   1.255   1.255
  403    HA   ASP  19           HA       ASP  19  -7.670  -1.004  -1.004
  404   1HB   ASP  19          2HB       ASP  19  -7.727   1.040   1.040
  405   2HB   ASP  19          1HB       ASP  19  -6.154   0.575   0.575
  406    H    LEU  20           H        LEU  20  -4.246  -0.298  -0.298
  407    HA   LEU  20           HA       LEU  20  -3.622  -2.761  -2.761
  408   1HB   LEU  20          2HB       LEU  20  -1.875  -0.784  -0.784
  409   2HB   LEU  20          1HB       LEU  20  -1.257  -2.170  -2.170
  410    HG   LEU  20           HG       LEU  20  -3.140  -0.251  -0.251
  411   1HD1  LEU  20          1HD1      LEU  20  -0.187   0.139   0.139
  412   2HD1  LEU  20          3HD1      LEU  20  -1.015   0.920   0.920
  413   3HD1  LEU  20          2HD1      LEU  20  -1.502   1.270   1.270
  414   1HD2  LEU  20          1HD2      LEU  20  -2.521  -2.373  -2.373
  415   2HD2  LEU  20          3HD2      LEU  20  -1.868  -0.991  -0.991
  416   3HD2  LEU  20          2HD2      LEU  20  -0.814  -1.955  -1.955
  417    H    LYS  21           H        LYS  21  -3.672  -1.671  -1.671
  418    HA   LYS  21           HA       LYS  21  -2.388  -3.994  -3.994
  419   1HB   LYS  21          2HB       LYS  21  -3.922  -1.685  -1.685
  420   2HB   LYS  21          1HB       LYS  21  -3.610  -3.100  -3.100
  421   1HG   LYS  21          2HG       LYS  21  -1.309  -2.023  -2.023
  422   2HG   LYS  21          1HG       LYS  21  -1.866  -1.063  -1.063
  423   1HD   LYS  21          2HD       LYS  21  -1.848  -3.389  -3.389
  424   2HD   LYS  21          1HD       LYS  21  -0.710  -3.830  -3.830
  425   1HE   LYS  21          2HE       LYS  21   0.787  -2.054  -2.054
  426   2HE   LYS  21          1HE       LYS  21  -0.405  -1.335  -1.335
  427   1HZ   LYS  21          1HZ       LYS  21   0.669  -4.071  -4.071
  428   2HZ   LYS  21          3HZ       LYS  21   1.378  -2.703  -2.703
  429   3HZ   LYS  21          2HZ       LYS  21  -0.217  -3.135  -3.135
  430    H    ARG  22           H        ARG  22  -5.713  -3.031  -3.031
  431    HA   ARG  22           HA       ARG  22  -7.022  -5.072  -5.072
  432   1HB   ARG  22          2HB       ARG  22  -8.021  -2.977  -2.977
  433   2HB   ARG  22          1HB       ARG  22  -8.079  -3.987  -3.987
  434   1HG   ARG  22          2HG       ARG  22  -9.224  -5.734  -5.734
  435   2HG   ARG  22          1HG       ARG  22  -9.546  -4.332  -4.332
  436   1HD   ARG  22          2HD       ARG  22 -10.901  -3.307  -3.307
  437   2HD   ARG  22          1HD       ARG  22 -10.183  -4.212  -4.212
  438    HE   ARG  22           HE       ARG  22 -11.397  -6.146  -6.146
  439   1HH1  ARG  22          1HH1      ARG  22 -12.482  -3.112  -3.112
  440   2HH1  ARG  22          2HH1      ARG  22 -14.112  -3.655  -3.655
  441   1HH2  ARG  22          1HH2      ARG  22 -13.533  -6.813  -6.813
  442   2HH2  ARG  22          2HH2      ARG  22 -14.705  -5.731  -5.731
  443    H    GLN  23           H        GLN  23  -5.691  -4.958  -4.958
  444    HA   GLN  23           HA       GLN  23  -6.720  -7.490  -7.490
  445   1HB   GLN  23          2HB       GLN  23  -4.521  -5.698  -5.698
  446   2HB   GLN  23          1HB       GLN  23  -4.815  -7.286  -7.286
  447   1HG   GLN  23          2HG       GLN  23  -7.032  -5.264  -5.264
  448   2HG   GLN  23          1HG       GLN  23  -6.025  -5.295  -5.295
  449   1HE2  GLN  23          2HE2      GLN  23  -7.216  -8.718  -8.718
  450   2HE2  GLN  23          1HE2      GLN  23  -5.711  -7.967  -7.967
  451    H    ASN  24           H        ASN  24  -3.638  -6.403  -6.403
  452    HA   ASN  24           HA       ASN  24  -2.368  -8.957  -8.957
  453   1HB   ASN  24          2HB       ASN  24  -1.788  -6.452  -6.452
  454   2HB   ASN  24          1HB       ASN  24  -0.798  -7.908  -7.908
  455   1HD2  ASN  24          2HD2      ASN  24   0.479  -5.610  -5.610
  456   2HD2  ASN  24          1HD2      ASN  24   0.063  -5.308  -5.308
  457    H    ALA  25           H        ALA  25  -4.410  -7.328  -7.328
  458    HA   ALA  25           HA       ALA  25  -3.895  -8.943  -8.943
  459   1HB   ALA  25          1HB       ALA  25  -5.243  -6.768  -6.768
  460   2HB   ALA  25          3HB       ALA  25  -6.593  -7.762  -7.762
  461   3HB   ALA  25          2HB       ALA  25  -5.880  -8.044  -8.044
  462    H    LEU  26           H        LEU  26  -6.387  -9.210  -9.210
  463    HA   LEU  26           HA       LEU  26  -7.361 -11.727 -11.727
  464   1HB   LEU  26          2HB       LEU  26  -7.923 -10.360 -10.360
  465   2HB   LEU  26          1HB       LEU  26  -8.811 -11.733 -11.733
  466    HG   LEU  26           HG       LEU  26  -8.520  -9.301  -9.301
  467   1HD1  LEU  26          2HD1      LEU  26 -10.475  -9.545  -9.545
  468   2HD1  LEU  26          1HD1      LEU  26 -10.520  -8.297  -8.297
  469   3HD1  LEU  26          3HD1      LEU  26  -9.164  -8.372  -8.372
  470   1HD2  LEU  26          2HD2      LEU  26 -10.504 -11.527 -11.527
  471   2HD2  LEU  26          1HD2      LEU  26  -9.678 -11.065 -11.065
  472   3HD2  LEU  26          3HD2      LEU  26 -10.982 -10.061 -10.061
  473    H    LEU  27           H        LEU  27  -5.216 -10.642 -10.642
  474    HA   LEU  27           HA       LEU  27  -4.969 -13.087 -13.087
  475   1HB   LEU  27          2HB       LEU  27  -3.218 -10.660 -10.660
  476   2HB   LEU  27          1HB       LEU  27  -2.640 -12.086 -12.086
  477    HG   LEU  27           HG       LEU  27  -5.316 -10.821 -10.821
  478   1HD1  LEU  27          3HD1      LEU  27  -2.555 -10.083 -10.083
  479   2HD1  LEU  27          2HD1      LEU  27  -3.907  -9.949  -9.949
  480   3HD1  LEU  27          1HD1      LEU  27  -3.920  -9.034  -9.034
  481   1HD2  LEU  27          2HD2      LEU  27  -3.521 -12.897 -12.897
  482   2HD2  LEU  27          1HD2      LEU  27  -5.270 -12.931 -12.931
  483   3HD2  LEU  27          3HD2      LEU  27  -4.569 -11.947 -11.947
  484    H    GLU  28           H        GLU  28  -2.810 -11.629 -11.629
  485    HA   GLU  28           HA       GLU  28  -1.049 -13.789 -13.789
  486   1HB   GLU  28          2HB       GLU  28  -0.677 -11.509 -11.509
  487   2HB   GLU  28          1HB       GLU  28  -1.892 -11.854 -11.854
  488   1HG   GLU  28          2HG       GLU  28  -0.519 -13.278 -13.278
  489   2HG   GLU  28          1HG       GLU  28   0.252 -13.883 -13.883
  490    H    GLN  29           H        GLN  29  -4.048 -13.044 -13.044
  491    HA   GLN  29           HA       GLN  29  -4.008 -15.089 -15.089
  492   1HB   GLN  29          2HB       GLN  29  -5.732 -13.127 -13.127
  493   2HB   GLN  29          1HB       GLN  29  -6.603 -14.403 -14.403
  494   1HG   GLN  29          2HG       GLN  29  -5.524 -14.947 -14.947
  495   2HG   GLN  29          1HG       GLN  29  -7.020 -14.029 -14.029
  496   1HE2  GLN  29          2HE2      GLN  29  -7.149 -18.005 -18.005
  497   2HE2  GLN  29          1HE2      GLN  29  -5.819 -17.174 -17.174
  498    H    GLN  30           H        GLN  30  -4.798 -15.179 -15.179
  499    HA   GLN  30           HA       GLN  30  -5.814 -17.909 -17.909
  500   1HB   GLN  30          2HB       GLN  30  -5.349 -15.988 -15.988
  501   2HB   GLN  30          1HB       GLN  30  -5.872 -17.656 -17.656
  502   1HG   GLN  30          2HG       GLN  30  -7.691 -16.997 -16.997
  503   2HG   GLN  30          1HG       GLN  30  -7.351 -15.365 -15.365
  504   1HE2  GLN  30          2HE2      GLN  30  -9.761 -17.654 -17.654
  505   2HE2  GLN  30          1HE2      GLN  30  -9.394 -17.931 -17.931
  506    H    VAL  31           H        VAL  31  -2.917 -16.170 -16.170
  507    HA   VAL  31           HA       VAL  31  -1.584 -18.338 -18.338
  508    HB   VAL  31           HB       VAL  31  -0.372 -15.939 -15.939
  509   1HG1  VAL  31          2HG1      VAL  31   0.661 -17.973 -17.973
  510   2HG1  VAL  31          1HG1      VAL  31   1.402 -16.381 -16.381
  511   3HG1  VAL  31          3HG1      VAL  31   1.375 -17.478 -17.478
  512   1HG2  VAL  31          2HG2      VAL  31  -2.154 -15.879 -15.879
  513   2HG2  VAL  31          1HG2      VAL  31  -0.923 -14.655 -14.655
  514   3HG2  VAL  31          3HG2      VAL  31  -0.608 -15.956 -15.956
  515    H    ARG  32           H        ARG  32  -1.869 -17.255 -17.255
  516    HA   ARG  32           HA       ARG  32   0.230 -18.762 -18.762
  517   1HB   ARG  32          2HB       ARG  32  -1.112 -16.939 -16.939
  518   2HB   ARG  32          1HB       ARG  32  -2.396 -18.127 -18.127
  519   1HG   ARG  32          2HG       ARG  32  -1.036 -19.508 -19.508
  520   2HG   ARG  32          1HG       ARG  32   0.437 -18.658 -18.658
  521   1HD   ARG  32          2HD       ARG  32  -0.359 -16.627 -16.627
  522   2HD   ARG  32          1HD       ARG  32  -1.850 -17.450 -17.450
  523    HE   ARG  32           HE       ARG  32   0.482 -18.854 -18.854
  524   1HH1  ARG  32          1HH1      ARG  32  -1.665 -16.176 -16.176
  525   2HH1  ARG  32          2HH1      ARG  32  -1.341 -16.204 -16.204
  526   1HH2  ARG  32          1HH2      ARG  32   0.876 -18.855 -18.855
  527   2HH2  ARG  32          2HH2      ARG  32   0.086 -17.707 -17.707
  528    H    ALA  33           H        ALA  33  -3.052 -19.588 -19.588
  529    HA   ALA  33           HA       ALA  33  -3.123 -22.116 -22.116
  530   1HB   ALA  33          2HB       ALA  33  -4.775 -20.916 -20.916
  531   2HB   ALA  33          1HB       ALA  33  -5.053 -22.548 -22.548
  532   3HB   ALA  33          3HB       ALA  33  -5.234 -21.162 -21.162
  533    H    LEU  34           H        LEU  34  -2.677 -21.174 -21.174
  534    HA   LEU  34           HA       LEU  34  -2.097 -23.824 -23.824
  535   1HB   LEU  34          2HB       LEU  34  -1.750 -21.085 -21.085
  536   2HB   LEU  34          1HB       LEU  34  -1.097 -22.510 -22.510
  537    HG   LEU  34           HG       LEU  34  -3.353 -21.966 -21.966
  538   1HD1  LEU  34          3HD1      LEU  34  -2.465 -24.382 -24.382
  539   2HD1  LEU  34          2HD1      LEU  34  -3.638 -24.450 -24.450
  540   3HD1  LEU  34          1HD1      LEU  34  -4.182 -24.165 -24.165
  541   1HD2  LEU  34          2HD2      LEU  34  -4.140 -20.947 -20.947
  542   2HD2  LEU  34          1HD2      LEU  34  -5.297 -22.051 -22.051
  543   3HD2  LEU  34          3HD2      LEU  34  -4.325 -22.584 -22.584
  544   1HN   NH2  35          1HT       LEU  34  -0.060 -24.832 -24.832
  545   2HN   NH2  35          2HT       LEU  34   1.396 -24.166 -24.166

  Start of MODEL   12
    1   1H    ACE   2          1HA       ACE   2   0.845  27.350  27.350
    2   2H    ACE   2          2HA       ACE   2   1.132  27.247  27.247
    3   3H    ACE   2          3HA       ACE   2   1.940  26.127  26.127
    4    H    CYS   3           H        CYS   3   1.130  24.152  24.152
    5    HA   CYS   3           HA       CYS   3  -1.780  23.781  23.781
    6   1HB   CYS   3          2HB       CYS   3  -0.061  22.579  22.579
    7   2HB   CYS   3          1HB       CYS   3  -1.758  22.201  22.201
    8    H    GLY   4           H        GLY   4   0.416  23.327  23.327
    9   1HA   GLY   4          2HA       GLY   4   0.910  21.722  21.722
   10   2HA   GLY   4          1HA       GLY   4  -0.231  20.645  20.645
   11    H    GLY   5           H        GLY   5   1.458  19.032  19.032
   12   1HA   GLY   5          2HA       GLY   5   3.929  19.128  19.128
   13   2HA   GLY   5          1HA       GLY   5   3.412  17.830  17.830
   14    H    VAL   6           H        VAL   6   2.444  19.353  19.353
   15    HA   VAL   6           HA       VAL   6   1.183  16.953  16.953
   16    HB   VAL   6           HB       VAL   6   0.413  19.190  19.190
   17   1HG1  VAL   6          1HG1      VAL   6   3.012  19.884  19.884
   18   2HG1  VAL   6          3HG1      VAL   6   2.702  19.512  19.512
   19   3HG1  VAL   6          2HG1      VAL   6   1.739  20.738  20.738
   20   1HG2  VAL   6          3HG2      VAL   6   1.491  17.356  17.356
   21   2HG2  VAL   6          2HG2      VAL   6  -0.142  17.395  17.395
   22   3HG2  VAL   6          1HG2      VAL   6   0.432  18.721  18.721
   23    H    GLN   7           H        GLN   7   4.321  18.479  18.479
   24    HA   GLN   7           HA       GLN   7   5.263  16.901  16.901
   25   1HB   GLN   7          2HB       GLN   7   6.665  18.499  18.499
   26   2HB   GLN   7          1HB       GLN   7   7.549  17.598  17.598
   27   1HG   GLN   7          2HG       GLN   7   6.077  18.827  18.827
   28   2HG   GLN   7          1HG       GLN   7   5.638  19.904  19.904
   29   1HE2  GLN   7          2HE2      GLN   7   8.711  21.634  21.634
   30   2HE2  GLN   7          1HE2      GLN   7   7.179  21.473  21.473
   31    H    ALA   8           H        ALA   8   5.740  16.675  16.675
   32    HA   ALA   8           HA       ALA   8   7.280  14.300  14.300
   33   1HB   ALA   8          3HB       ALA   8   6.988  15.929  15.929
   34   2HB   ALA   8          2HB       ALA   8   5.457  15.109  15.109
   35   3HB   ALA   8          1HB       ALA   8   6.973  14.210  14.210
   36    H    GLU   9           H        GLU   9   3.809  14.906  14.906
   37    HA   GLU   9           HA       GLU   9   3.043  12.207  12.207
   38   1HB   GLU   9          2HB       GLU   9   1.620  14.294  14.294
   39   2HB   GLU   9          1HB       GLU   9   1.343  14.285  14.285
   40   1HG   GLU   9          2HG       GLU   9  -0.441  12.975  12.975
   41   2HG   GLU   9          1HG       GLU   9   0.782  11.708  11.708
   42    H    GLU  10           H        GLU  10   3.241  14.183  14.183
   43    HA   GLU  10           HA       GLU  10   2.295  12.199  12.199
   44   1HB   GLU  10          2HB       GLU  10   2.539  14.681  14.681
   45   2HB   GLU  10          1HB       GLU  10   4.264  14.382  14.382
   46   1HG   GLU  10          2HG       GLU  10   3.500  12.502  12.502
   47   2HG   GLU  10          1HG       GLU  10   1.958  13.356  13.356
   48    H    GLN  11           H        GLN  11   5.556  13.117  13.117
   49    HA   GLN  11           HA       GLN  11   6.996  11.371  11.371
   50   1HB   GLN  11          2HB       GLN  11   7.951  13.257  13.257
   51   2HB   GLN  11          1HB       GLN  11   7.823  12.180  12.180
   52   1HG   GLN  11          2HG       GLN  11   9.303  10.567  10.567
   53   2HG   GLN  11          1HG       GLN  11   9.308  11.470  11.470
   54   1HE2  GLN  11          2HE2      GLN  11  11.662  13.879  13.879
   55   2HE2  GLN  11          1HE2      GLN  11  10.519  13.500  13.500
   56    H    LYS  12           H        LYS  12   5.374  10.891  10.891
   57    HA   LYS  12           HA       LYS  12   6.492   8.252   8.252
   58   1HB   LYS  12          2HB       LYS  12   5.511  10.021  10.021
   59   2HB   LYS  12          1HB       LYS  12   4.024   9.129   9.129
   60   1HG   LYS  12          2HG       LYS  12   4.824   7.179   7.179
   61   2HG   LYS  12          1HG       LYS  12   6.498   7.537   7.537
   62   1HD   LYS  12          2HD       LYS  12   6.081   9.548   9.548
   63   2HD   LYS  12          1HD       LYS  12   4.928   8.385   8.385
   64   1HE   LYS  12          2HE       LYS  12   6.825   7.713   7.713
   65   2HE   LYS  12          1HE       LYS  12   6.986   6.718   6.718
   66   1HZ   LYS  12          1HZ       LYS  12   8.175   9.423   9.423
   67   2HZ   LYS  12          3HZ       LYS  12   9.010   8.017   8.017
   68   3HZ   LYS  12          2HZ       LYS  12   8.508   8.226   8.226
   69    H    LEU  13           H        LEU  13   3.444   9.647   9.647
   70    HA   LEU  13           HA       LEU  13   1.961   7.255   7.255
   71   1HB   LEU  13          2HB       LEU  13   1.778   9.858   9.858
   72   2HB   LEU  13          1HB       LEU  13   0.637   8.533   8.533
   73    HG   LEU  13           HG       LEU  13   1.195   9.411   9.411
   74   1HD1  LEU  13          3HD1      LEU  13   0.887  11.538  11.538
   75   2HD1  LEU  13          2HD1      LEU  13  -0.607  10.918  10.918
   76   3HD1  LEU  13          1HD1      LEU  13  -0.501  11.197  11.197
   77   1HD2  LEU  13          2HD2      LEU  13  -1.137   8.328   8.328
   78   2HD2  LEU  13          1HD2      LEU  13  -0.308   7.585   7.585
   79   3HD2  LEU  13          3HD2      LEU  13  -1.351   8.984   8.984
   80    H    ILE  14           H        ILE  14   3.930   8.971   8.971
   81    HA   ILE  14           HA       ILE  14   3.501   7.127   7.127
   82    HB   ILE  14           HB       ILE  14   5.881   8.951   8.951
   83   1HG1  ILE  14          2HG1      ILE  14   3.467   9.503   9.503
   84   2HG1  ILE  14          1HG1      ILE  14   3.492   9.954   9.954
   85   1HG2  ILE  14          1HG2      ILE  14   4.914   7.272   7.272
   86   2HG2  ILE  14          3HG2      ILE  14   5.654   8.831   8.831
   87   3HG2  ILE  14          2HG2      ILE  14   6.565   7.608   7.608
   88   1HD1  ILE  14          1HD1      ILE  14   5.688  10.757  10.757
   89   2HD1  ILE  14          3HD1      ILE  14   4.261  11.756  11.756
   90   3HD1  ILE  14          2HD1      ILE  14   5.362  11.406  11.406
   91    H    SER  15           H        SER  15   6.245   7.521   7.521
   92    HA   SER  15           HA       SER  15   7.742   5.323   5.323
   93   1HB   SER  15          2HB       SER  15   7.607   6.544   6.544
   94   2HB   SER  15          1HB       SER  15   8.837   5.403   5.403
   95    HG   SER  15           HG       SER  15   9.287   7.761   7.761
   96    H    GLU  16           H        GLU  16   5.151   5.554   5.554
   97    HA   GLU  16           HA       GLU  16   5.387   2.871   2.871
   98   1HB   GLU  16          2HB       GLU  16   3.264   4.991   4.991
   99   2HB   GLU  16          1HB       GLU  16   2.926   3.344   3.344
  100   1HG   GLU  16          2HG       GLU  16   4.944   3.448   3.448
  101   2HG   GLU  16          1HG       GLU  16   5.159   5.135   5.135
  102    H    GLU  17           H        GLU  17   3.522   4.442   4.442
  103    HA   GLU  17           HA       GLU  17   1.884   2.196   2.196
  104   1HB   GLU  17          2HB       GLU  17   1.412   4.577   4.577
  105   2HB   GLU  17          1HB       GLU  17   2.707   4.431   4.431
  106   1HG   GLU  17          2HG       GLU  17   1.494   2.372   2.372
  107   2HG   GLU  17          1HG       GLU  17   0.132   2.850   2.850
  108    H    ASP  18           H        ASP  18   5.048   3.308   3.308
  109    HA   ASP  18           HA       ASP  18   5.366   1.611   1.611
  110   1HB   ASP  18          2HB       ASP  18   6.857   3.552   3.552
  111   2HB   ASP  18          1HB       ASP  18   7.564   2.542   2.542
  112    H    LEU  19           H        LEU  19   6.202   1.187   1.187
  113    HA   LEU  19           HA       LEU  19   7.432  -1.341  -1.341
  114   1HB   LEU  19          2HB       LEU  19   7.318   0.295   0.295
  115   2HB   LEU  19          1HB       LEU  19   5.843  -0.589  -0.589
  116    HG   LEU  19           HG       LEU  19   7.346  -2.710  -2.710
  117   1HD1  LEU  19          1HD1      LEU  19   9.256  -1.254  -1.254
  118   2HD1  LEU  19          3HD1      LEU  19   9.436  -0.683  -0.683
  119   3HD1  LEU  19          2HD1      LEU  19   9.684  -2.388  -2.388
  120   1HD2  LEU  19          2HD2      LEU  19   7.116  -0.896  -0.896
  121   2HD2  LEU  19          1HD2      LEU  19   6.567  -2.561  -2.561
  122   3HD2  LEU  19          3HD2      LEU  19   8.272  -2.223  -2.223
  123    H    LEU  20           H        LEU  20   4.078  -0.354  -0.354
  124    HA   LEU  20           HA       LEU  20   3.011  -2.952  -2.952
  125   1HB   LEU  20          2HB       LEU  20   1.901  -0.302  -0.302
  126   2HB   LEU  20          1HB       LEU  20   0.906  -1.728  -1.728
  127    HG   LEU  20           HG       LEU  20   2.229  -1.352  -1.352
  128   1HD1  LEU  20          1HD1      LEU  20   0.732   0.667   0.667
  129   2HD1  LEU  20          3HD1      LEU  20  -0.579  -0.414  -0.414
  130   3HD1  LEU  20          2HD1      LEU  20   0.608   0.104   0.104
  131   1HD2  LEU  20          2HD2      LEU  20  -0.341  -2.679  -2.679
  132   2HD2  LEU  20          1HD2      LEU  20   1.170  -3.514  -3.514
  133   3HD2  LEU  20          3HD2      LEU  20   0.282  -2.695  -2.695
  134    H    ARG  21           H        ARG  21   3.811  -1.155  -1.155
  135    HA   ARG  21           HA       ARG  21   2.423  -2.738  -2.738
  136   1HB   ARG  21          2HB       ARG  21   5.015  -1.208  -1.208
  137   2HB   ARG  21          1HB       ARG  21   4.015  -1.829  -1.829
  138   1HG   ARG  21          2HG       ARG  21   2.141  -0.457  -0.457
  139   2HG   ARG  21          1HG       ARG  21   3.569   0.510   0.510
  140   1HD   ARG  21          2HD       ARG  21   2.533  -0.206  -0.206
  141   2HD   ARG  21          1HD       ARG  21   2.530   1.390   1.390
  142    HE   ARG  21           HE       ARG  21   4.775   0.074   0.074
  143   1HH1  ARG  21          1HH1      ARG  21   3.797   2.486   2.486
  144   2HH1  ARG  21          2HH1      ARG  21   5.277   3.371   3.371
  145   1HH2  ARG  21          1HH2      ARG  21   6.690   1.258   1.258
  146   2HH2  ARG  21          2HH2      ARG  21   6.902   2.685   2.685
  147    H    LYS  22           H        LYS  22   5.816  -2.876  -2.876
  148    HA   LYS  22           HA       LYS  22   6.539  -5.154  -5.154
  149   1HB   LYS  22          2HB       LYS  22   7.985  -3.452  -3.452
  150   2HB   LYS  22          1HB       LYS  22   7.773  -4.667  -4.667
  151   1HG   LYS  22          2HG       LYS  22   9.698  -5.455  -5.455
  152   2HG   LYS  22          1HG       LYS  22   8.455  -6.340  -6.340
  153   1HD   LYS  22          2HD       LYS  22   8.456  -4.451  -4.451
  154   2HD   LYS  22          1HD       LYS  22   9.884  -3.817  -3.817
  155   1HE   LYS  22          2HE       LYS  22  11.092  -5.905  -5.905
  156   2HE   LYS  22          1HE       LYS  22   9.657  -6.604  -6.604
  157   1HZ   LYS  22          3HZ       LYS  22   9.735  -4.863  -4.863
  158   2HZ   LYS  22          2HZ       LYS  22  11.127  -4.207  -4.207
  159   3HZ   LYS  22          1HZ       LYS  22  11.181  -5.751  -5.751
  160    H    ARG  23           H        ARG  23   4.978  -4.771  -4.771
  161    HA   ARG  23           HA       ARG  23   5.251  -7.491  -7.491
  162   1HB   ARG  23          2HB       ARG  23   4.699  -5.445  -5.445
  163   2HB   ARG  23          1HB       ARG  23   3.044  -5.636  -5.636
  164   1HG   ARG  23          2HG       ARG  23   3.154  -8.046  -8.046
  165   2HG   ARG  23          1HG       ARG  23   4.692  -7.661  -7.661
  166   1HD   ARG  23          2HD       ARG  23   3.712  -6.351  -6.351
  167   2HD   ARG  23          1HD       ARG  23   2.384  -5.864  -5.864
  168    HE   ARG  23           HE       ARG  23   2.217  -8.646  -8.646
  169   1HH1  ARG  23          1HH1      ARG  23   1.697  -5.474  -5.474
  170   2HH1  ARG  23          2HH1      ARG  23   0.487  -6.029  -6.029
  171   1HH2  ARG  23          1HH2      ARG  23   0.636  -9.328  -9.328
  172   2HH2  ARG  23          2HH2      ARG  23  -0.110  -8.192  -8.192
  173    H    ARG  24           H        ARG  24   2.697  -5.646  -5.646
  174    HA   ARG  24           HA       ARG  24   0.828  -7.799  -7.799
  175   1HB   ARG  24          2HB       ARG  24   0.268  -5.349  -5.349
  176   2HB   ARG  24          1HB       ARG  24   0.971  -5.439  -5.439
  177   1HG   ARG  24          2HG       ARG  24  -0.690  -6.884  -6.884
  178   2HG   ARG  24          1HG       ARG  24  -1.115  -7.436  -7.436
  179   1HD   ARG  24          2HD       ARG  24  -2.364  -5.531  -5.531
  180   2HD   ARG  24          1HD       ARG  24  -1.495  -4.546  -4.546
  181    HE   ARG  24           HE       ARG  24  -3.868  -6.034  -6.034
  182   1HH1  ARG  24          1HH1      ARG  24  -0.806  -5.180  -5.180
  183   2HH1  ARG  24          2HH1      ARG  24  -1.411  -5.315  -5.315
  184   1HH2  ARG  24          1HH2      ARG  24  -4.617  -6.199  -6.199
  185   2HH2  ARG  24          2HH2      ARG  24  -3.551  -5.887  -5.887
  186    H    GLU  25           H        GLU  25   3.437  -6.693  -6.693
  187    HA   GLU  25           HA       GLU  25   2.788  -8.156  -8.156
  188   1HB   GLU  25          2HB       GLU  25   4.596  -6.324  -6.324
  189   2HB   GLU  25          1HB       GLU  25   5.627  -7.664  -7.664
  190   1HG   GLU  25          2HG       GLU  25   4.954  -8.825  -8.825
  191   2HG   GLU  25          1HG       GLU  25   4.274  -7.278  -7.278
  192    H    GLN  26           H        GLN  26   4.560  -9.003  -9.003
  193    HA   GLN  26           HA       GLN  26   5.425 -11.569 -11.569
  194   1HB   GLN  26          2HB       GLN  26   5.325 -10.342 -10.342
  195   2HB   GLN  26          1HB       GLN  26   5.917 -11.975 -11.975
  196   1HG   GLN  26          2HG       GLN  26   6.999  -9.650  -9.650
  197   2HG   GLN  26          1HG       GLN  26   7.638 -10.016 -10.016
  198   1HE2  GLN  26          1HE2      GLN  26   9.667 -10.916 -10.916
  199   2HE2  GLN  26          2HE2      GLN  26   9.830 -12.302 -12.302
  200    H    LEU  27           H        LEU  27   2.765 -10.375 -10.375
  201    HA   LEU  27           HA       LEU  27   1.728 -12.875 -12.875
  202   1HB   LEU  27          2HB       LEU  27   0.485 -10.150 -10.150
  203   2HB   LEU  27          1HB       LEU  27  -0.470 -11.544 -11.544
  204    HG   LEU  27           HG       LEU  27   2.091 -10.725 -10.725
  205   1HD1  LEU  27          3HD1      LEU  27  -0.780  -9.944  -9.944
  206   2HD1  LEU  27          2HD1      LEU  27   0.513  -9.810  -9.810
  207   3HD1  LEU  27          1HD1      LEU  27   0.585  -8.868  -8.868
  208   1HD2  LEU  27          3HD2      LEU  27  -0.182 -12.633 -12.633
  209   2HD2  LEU  27          2HD2      LEU  27   1.547 -12.979 -12.979
  210   3HD2  LEU  27          1HD2      LEU  27   0.882 -12.056 -12.056
  211    H    LYS  28           H        LYS  28   1.251 -10.921 -10.921
  212    HA   LYS  28           HA       LYS  28  -0.898 -12.467 -12.467
  213   1HB   LYS  28          2HB       LYS  28   0.962 -10.383 -10.383
  214   2HB   LYS  28          1HB       LYS  28   0.041 -11.361 -11.361
  215   1HG   LYS  28          2HG       LYS  28  -2.007 -10.784 -10.784
  216   2HG   LYS  28          1HG       LYS  28  -0.988  -9.498  -9.498
  217   1HD   LYS  28          2HD       LYS  28  -2.051  -8.413  -8.413
  218   2HD   LYS  28          1HD       LYS  28  -0.547  -8.944  -8.944
  219   1HE   LYS  28          2HE       LYS  28  -1.817 -11.070 -11.070
  220   2HE   LYS  28          1HE       LYS  28  -3.286 -10.200 -10.200
  221   1HZ   LYS  28          2HZ       LYS  28  -2.609  -8.429  -8.429
  222   2HZ   LYS  28          1HZ       LYS  28  -1.278  -9.368  -9.368
  223   3HZ   LYS  28          3HZ       LYS  28  -2.855  -9.913  -9.913
  224    H    HIS  29           H        HIS  29   2.597 -12.658 -12.658
  225    HA   HIS  29           HA       HIS  29   2.853 -14.429 -14.429
  226   1HB   HIS  29          2HB       HIS  29   4.562 -13.805 -13.805
  227   2HB   HIS  29          1HB       HIS  29   4.998 -15.129 -15.129
  228    HD1  HIS  29           HD1      HIS  29   4.384 -14.065 -14.065
  229    HD2  HIS  29           HD2      HIS  29   6.090 -11.667 -11.667
  230    HE1  HIS  29           HE1      HIS  29   5.533 -12.157 -12.157
  231    H    LYS  30           H        LYS  30   2.809 -15.114 -15.114
  232    HA   LYS  30           HA       LYS  30   2.802 -17.931 -17.931
  233   1HB   LYS  30          2HB       LYS  30   1.763 -16.187 -16.187
  234   2HB   LYS  30          1HB       LYS  30   2.002 -17.933 -17.933
  235   1HG   LYS  30          2HG       LYS  30   4.432 -17.249 -17.249
  236   2HG   LYS  30          1HG       LYS  30   4.024 -15.744 -15.744
  237   1HD   LYS  30          2HD       LYS  30   3.713 -16.863 -16.863
  238   2HD   LYS  30          1HD       LYS  30   3.731 -18.450 -18.450
  239   1HE   LYS  30          2HE       LYS  30   6.132 -17.673 -17.673
  240   2HE   LYS  30          1HE       LYS  30   6.017 -16.605 -16.605
  241   1HZ   LYS  30          1HZ       LYS  30   5.602 -19.543 -19.543
  242   2HZ   LYS  30          3HZ       LYS  30   7.033 -18.757 -18.757
  243   3HZ   LYS  30          2HZ       LYS  30   5.601 -18.491 -18.491
  244    H    LEU  31           H        LEU  31   0.194 -15.557 -15.557
  245    HA   LEU  31           HA       LEU  31  -1.955 -17.373 -17.373
  246   1HB   LEU  31          2HB       LEU  31  -1.760 -14.672 -14.672
  247   2HB   LEU  31          1HB       LEU  31  -2.444 -14.863 -14.863
  248    HG   LEU  31           HG       LEU  31  -4.135 -16.470 -16.470
  249   1HD1  LEU  31          2HD1      LEU  31  -2.878 -16.698 -16.698
  250   2HD1  LEU  31          1HD1      LEU  31  -3.138 -14.983 -14.983
  251   3HD1  LEU  31          3HD1      LEU  31  -4.511 -16.089 -16.089
  252   1HD2  LEU  31          1HD2      LEU  31  -3.996 -13.490 -13.490
  253   2HD2  LEU  31          3HD2      LEU  31  -5.121 -14.490 -14.490
  254   3HD2  LEU  31          2HD2      LEU  31  -5.315 -14.322 -14.322
  255    H    GLU  32           H        GLU  32  -0.244 -16.027 -16.027
  256    HA   GLU  32           HA       GLU  32  -2.053 -17.245 -17.245
  257   1HB   GLU  32          2HB       GLU  32  -0.714 -15.041 -15.041
  258   2HB   GLU  32          1HB       GLU  32   0.644 -16.101 -16.101
  259   1HG   GLU  32          2HG       GLU  32  -1.990 -16.575 -16.575
  260   2HG   GLU  32          1HG       GLU  32  -0.962 -15.260 -15.260
  261    H    GLN  33           H        GLN  33   1.036 -17.937 -17.937
  262    HA   GLN  33           HA       GLN  33   1.726 -20.049 -20.049
  263   1HB   GLN  33          2HB       GLN  33   3.296 -18.589 -18.589
  264   2HB   GLN  33          1HB       GLN  33   2.934 -19.822 -19.822
  265   1HG   GLN  33          2HG       GLN  33   4.850 -20.670 -20.670
  266   2HG   GLN  33          1HG       GLN  33   3.528 -21.522 -21.522
  267   1HE2  GLN  33          2HE2      GLN  33   4.605 -20.356 -20.356
  268   2HE2  GLN  33          1HE2      GLN  33   3.976 -21.630 -21.630
  269    H    LEU  34           H        LEU  34   1.125 -20.117 -20.117
  270    HA   LEU  34           HA       LEU  34   0.142 -21.699 -21.699
  271   1HB   LEU  34          2HB       LEU  34  -1.416 -21.781 -21.781
  272   2HB   LEU  34          1HB       LEU  34  -1.508 -23.259 -23.259
  273    HG   LEU  34           HG       LEU  34  -3.290 -21.669 -21.669
  274   1HD1  LEU  34          1HD1      LEU  34  -1.276 -22.754 -22.754
  275   2HD1  LEU  34          3HD1      LEU  34  -2.091 -21.351 -21.351
  276   3HD1  LEU  34          2HD1      LEU  34  -3.031 -22.741 -22.741
  277   1HD2  LEU  34          3HD2      LEU  34  -1.457 -19.710 -19.710
  278   2HD2  LEU  34          2HD2      LEU  34  -2.920 -19.468 -19.468
  279   3HD2  LEU  34          1HD2      LEU  34  -1.386 -19.804 -19.804
  280   1HN   NH2  35          1HT       LEU  34   2.064 -22.952 -22.952
  281   2HN   NH2  35          2HT       LEU  34   2.381 -24.401 -24.401
  282   1H    ACE   2          1HA       ACE   2  -1.242  28.255  28.255
  283   2H    ACE   2          2HA       ACE   2  -0.753  28.004  28.004
  284   3H    ACE   2          3HA       ACE   2   0.468  28.257  28.257
  285    H    CYS   3           H        CYS   3   1.453  26.479  26.479
  286    HA   CYS   3           HA       CYS   3   1.903  24.277  24.277
  287   1HB   CYS   3          2HB       CYS   3  -1.108  24.134  24.134
  288   2HB   CYS   3          1HB       CYS   3   0.023  22.887  22.887
  289    H    GLY   4           H        GLY   4   1.690  22.060  22.060
  290   1HA   GLY   4          2HA       GLY   4   0.527  21.959  21.959
  291   2HA   GLY   4          1HA       GLY   4   2.141  21.340  21.340
  292    H    GLY   5           H        GLY   5  -0.645  20.190  20.190
  293   1HA   GLY   5          2HA       GLY   5  -1.255  17.904  17.904
  294   2HA   GLY   5          1HA       GLY   5  -0.360  17.768  17.768
  295    H    MET   6           H        MET   6  -1.367  19.774  19.774
  296    HA   MET   6           HA       MET   6  -3.108  20.303  20.303
  297   1HB   MET   6          2HB       MET   6  -4.067  20.830  20.830
  298   2HB   MET   6          1HB       MET   6  -5.191  19.559  19.559
  299   1HG   MET   6          2HG       MET   6  -6.114  20.814  20.814
  300   2HG   MET   6          1HG       MET   6  -4.609  21.676  21.676
  301   1HE   MET   6          3HE       MET   6  -7.494  22.704  22.704
  302   2HE   MET   6          2HE       MET   6  -6.281  23.956  23.956
  303   3HE   MET   6          1HE       MET   6  -7.543  24.193  24.193
  304    H    ARG   7           H        ARG   7  -5.323  19.359  19.359
  305    HA   ARG   7           HA       ARG   7  -4.818  16.806  16.806
  306   1HB   ARG   7          2HB       ARG   7  -6.572  18.746  18.746
  307   2HB   ARG   7          1HB       ARG   7  -7.653  17.659  17.659
  308   1HG   ARG   7          2HG       ARG   7  -5.811  16.390  16.390
  309   2HG   ARG   7          1HG       ARG   7  -7.109  17.377  17.377
  310   1HD   ARG   7          2HD       ARG   7  -8.502  15.993  15.993
  311   2HD   ARG   7          1HD       ARG   7  -7.254  14.810  14.810
  312    HE   ARG   7           HE       ARG   7  -9.454  15.527  15.527
  313   1HH1  ARG   7          1HH1      ARG   7  -6.065  14.656  14.656
  314   2HH1  ARG   7          2HH1      ARG   7  -6.167  14.001  14.001
  315   1HH2  ARG   7          1HH2      ARG   7  -9.543  14.662  14.662
  316   2HH2  ARG   7          2HH2      ARG   7  -8.118  14.004  14.004
  317    H    ARG   8           H        ARG   8  -6.402  17.811  17.811
  318    HA   ARG   8           HA       ARG   8  -7.861  15.480  15.480
  319   1HB   ARG   8          2HB       ARG   8  -7.775  17.795  17.795
  320   2HB   ARG   8          1HB       ARG   8  -6.491  17.037  17.037
  321   1HG   ARG   8          2HG       ARG   8  -7.916  15.511  15.511
  322   2HG   ARG   8          1HG       ARG   8  -9.002  15.475  15.475
  323   1HD   ARG   8          2HD       ARG   8 -10.225  16.627  16.627
  324   2HD   ARG   8          1HD       ARG   8  -9.596  17.900  17.900
  325    HE   ARG   8           HE       ARG   8  -7.858  17.297  17.297
  326   1HH1  ARG   8          1HH1      ARG   8 -10.664  19.117  19.117
  327   2HH1  ARG   8          2HH1      ARG   8 -10.474  20.322  20.322
  328   1HH2  ARG   8          1HH2      ARG   8  -7.646  18.891  18.891
  329   2HH2  ARG   8          2HH2      ARG   8  -8.781  20.197  20.197
  330    H    LYS   9           H        LYS   9  -4.539  16.406  16.406
  331    HA   LYS   9           HA       LYS   9  -3.912  14.061  14.061
  332   1HB   LYS   9          2HB       LYS   9  -2.566  16.184  16.184
  333   2HB   LYS   9          1HB       LYS   9  -1.976  15.755  15.755
  334   1HG   LYS   9          2HG       LYS   9  -0.310  14.756  14.756
  335   2HG   LYS   9          1HG       LYS   9  -1.477  13.433  13.433
  336   1HD   LYS   9          2HD       LYS   9  -1.122  13.615  13.615
  337   2HD   LYS   9          1HD       LYS   9  -2.356  14.866  14.866
  338   1HE   LYS   9          2HE       LYS   9  -0.220  16.366  16.366
  339   2HE   LYS   9          1HE       LYS   9   0.590  15.144  15.144
  340   1HZ   LYS   9          3HZ       LYS   9  -1.119  15.541  15.541
  341   2HZ   LYS   9          2HZ       LYS   9  -1.713  16.835  16.835
  342   3HZ   LYS   9          1HZ       LYS   9  -0.135  16.890  16.890
  343    H    ASN  10           H        ASN  10  -3.545  14.908  14.908
  344    HA   ASN  10           HA       ASN  10  -2.206  12.512  12.512
  345   1HB   ASN  10          2HB       ASN  10  -3.570  14.743  14.743
  346   2HB   ASN  10          1HB       ASN  10  -3.317  13.236  13.236
  347   1HD2  ASN  10          2HD2      ASN  10  -0.276  15.525  15.525
  348   2HD2  ASN  10          1HD2      ASN  10  -1.928  15.838  15.838
  349    H    ASP  11           H        ASP  11  -5.572  13.442  13.442
  350    HA   ASP  11           HA       ASP  11  -6.752  11.305  11.305
  351   1HB   ASP  11          2HB       ASP  11  -7.676  13.170  13.170
  352   2HB   ASP  11          1HB       ASP  11  -8.668  11.765  11.765
  353    H    THR  12           H        THR  12  -5.908  11.672  11.672
  354    HA   THR  12           HA       THR  12  -6.863   9.157   9.157
  355    HB   THR  12           HB       THR  12  -5.309   9.476   9.476
  356    HG1  THR  12           HG1      THR  12  -3.628  10.639  10.639
  357   1HG2  THR  12          1HG2      THR  12  -7.594  10.612  10.612
  358   2HG2  THR  12          3HG2      THR  12  -6.693  12.070  12.070
  359   3HG2  THR  12          2HG2      THR  12  -6.484  11.332  11.332
  360    H    HIS  13           H        HIS  13  -3.853  10.179  10.179
  361    HA   HIS  13           HA       HIS  13  -2.327   7.853   7.853
  362   1HB   HIS  13          2HB       HIS  13  -2.171  10.094  10.094
  363   2HB   HIS  13          1HB       HIS  13  -1.203   8.651   8.651
  364    HD1  HIS  13           HD1      HIS  13  -0.190   7.847   7.847
  365    HD2  HIS  13           HD2      HIS  13  -0.512  11.864  11.864
  366    HE1  HIS  13           HE1      HIS  13   1.395   9.119   9.119
  367    H    GLN  14           H        GLN  14  -4.545   8.738   8.738
  368    HA   GLN  14           HA       GLN  14  -4.043   6.496   6.496
  369   1HB   GLN  14          2HB       GLN  14  -6.193   8.555   8.555
  370   2HB   GLN  14          1HB       GLN  14  -6.529   7.093   7.093
  371   1HG   GLN  14          2HG       GLN  14  -3.940   8.539   8.539
  372   2HG   GLN  14          1HG       GLN  14  -5.415   9.176   9.176
  373   1HE2  GLN  14          2HE2      GLN  14  -5.037   6.915   6.915
  374   2HE2  GLN  14          1HE2      GLN  14  -5.327   8.509   8.509
  375    H    GLN  15           H        GLN  15  -6.322   7.100   7.100
  376    HA   GLN  15           HA       GLN  15  -7.898   4.784   4.784
  377   1HB   GLN  15          2HB       GLN  15  -8.107   6.888   6.888
  378   2HB   GLN  15          1HB       GLN  15  -7.272   5.820   5.820
  379   1HG   GLN  15          2HG       GLN  15  -9.034   4.342   4.342
  380   2HG   GLN  15          1HG       GLN  15  -9.564   4.671   4.671
  381   1HE2  GLN  15          2HE2      GLN  15 -10.914   7.036   7.036
  382   2HE2  GLN  15          1HE2      GLN  15  -9.588   6.008   6.008
  383    H    ASP  16           H        ASP  16  -5.135   5.369   5.369
  384    HA   ASP  16           HA       ASP  16  -4.950   2.737   2.737
  385   1HB   ASP  16          2HB       ASP  16  -3.720   5.004   5.004
  386   2HB   ASP  16          1HB       ASP  16  -2.451   4.327   4.327
  387    H    ILE  17           H        ILE  17  -3.467   4.318   4.318
  388    HA   ILE  17           HA       ILE  17  -1.748   2.208   2.208
  389    HB   ILE  17           HB       ILE  17  -2.964   4.564   4.564
  390   1HG1  ILE  17          2HG1      ILE  17  -0.062   3.796   3.796
  391   2HG1  ILE  17          1HG1      ILE  17  -0.921   4.589   4.589
  392   1HG2  ILE  17          3HG2      ILE  17  -1.710   2.162   2.162
  393   2HG2  ILE  17          2HG2      ILE  17  -1.212   3.741   3.741
  394   3HG2  ILE  17          1HG2      ILE  17  -2.913   3.275   3.275
  395   1HD1  ILE  17          3HD1      ILE  17  -1.154   5.765   5.765
  396   2HD1  ILE  17          2HD1      ILE  17   0.346   6.016   6.016
  397   3HD1  ILE  17          1HD1      ILE  17  -1.186   6.567   6.567
  398    H    ASP  18           H        ASP  18  -4.619   3.216   3.216
  399    HA   ASP  18           HA       ASP  18  -4.991   0.991   0.991
  400   1HB   ASP  18          2HB       ASP  18  -6.768   3.136   3.136
  401   2HB   ASP  18          1HB       ASP  18  -7.593   1.681   1.681
  402    H    ASP  19           H        ASP  19  -5.848   1.386   1.386
  403    HA   ASP  19           HA       ASP  19  -7.516  -0.938  -0.938
  404   1HB   ASP  19          2HB       ASP  19  -7.544   0.967   0.967
  405   2HB   ASP  19          1HB       ASP  19  -5.980   0.409   0.409
  406    H    LEU  20           H        LEU  20  -4.091  -0.268  -0.268
  407    HA   LEU  20           HA       LEU  20  -3.397  -2.799  -2.799
  408   1HB   LEU  20          2HB       LEU  20  -1.807  -0.638  -0.638
  409   2HB   LEU  20          1HB       LEU  20  -1.062  -2.143  -2.143
  410    HG   LEU  20           HG       LEU  20  -2.743  -0.468  -0.468
  411   1HD1  LEU  20          3HD1      LEU  20   0.221  -0.230  -0.230
  412   2HD1  LEU  20          2HD1      LEU  20  -0.564   0.473   0.473
  413   3HD1  LEU  20          1HD1      LEU  20  -1.002   1.024   1.024
  414   1HD2  LEU  20          2HD2      LEU  20  -1.799  -2.976  -2.976
  415   2HD2  LEU  20          1HD2      LEU  20  -1.935  -1.859  -1.859
  416   3HD2  LEU  20          3HD2      LEU  20  -0.383  -2.082  -2.082
  417    H    LYS  21           H        LYS  21  -3.233  -1.463  -1.463
  418    HA   LYS  21           HA       LYS  21  -2.148  -3.746  -3.746
  419   1HB   LYS  21          2HB       LYS  21  -3.939  -1.577  -1.577
  420   2HB   LYS  21          1HB       LYS  21  -3.092  -2.778  -2.778
  421   1HG   LYS  21          2HG       LYS  21  -0.932  -1.990  -1.990
  422   2HG   LYS  21          1HG       LYS  21  -1.763  -0.812  -0.812
  423   1HD   LYS  21          2HD       LYS  21  -2.388   0.515   0.515
  424   2HD   LYS  21          1HD       LYS  21  -2.294  -0.824  -0.824
  425   1HE   LYS  21          2HE       LYS  21   0.181   0.167   0.167
  426   2HE   LYS  21          1HE       LYS  21  -0.411   0.971   0.971
  427   1HZ   LYS  21          2HZ       LYS  21  -0.083  -1.956  -1.956
  428   2HZ   LYS  21          1HZ       LYS  21   1.261  -0.954  -0.954
  429   3HZ   LYS  21          3HZ       LYS  21  -0.069  -0.897  -0.897
  430    H    ARG  22           H        ARG  22  -5.491  -2.749  -2.749
  431    HA   ARG  22           HA       ARG  22  -6.770  -4.801  -4.801
  432   1HB   ARG  22          2HB       ARG  22  -7.587  -3.029  -3.029
  433   2HB   ARG  22          1HB       ARG  22  -8.626  -4.366  -4.366
  434   1HG   ARG  22          2HG       ARG  22  -8.278  -3.429  -3.429
  435   2HG   ARG  22          1HG       ARG  22  -7.814  -1.946  -1.946
  436   1HD   ARG  22          2HD       ARG  22 -10.323  -3.325  -3.325
  437   2HD   ARG  22          1HD       ARG  22 -10.348  -2.417  -2.417
  438    HE   ARG  22           HE       ARG  22  -9.203  -0.913  -0.913
  439   1HH1  ARG  22          1HH1      ARG  22 -12.208  -1.910  -1.910
  440   2HH1  ARG  22          2HH1      ARG  22 -13.094  -0.557  -0.557
  441   1HH2  ARG  22          1HH2      ARG  22 -10.397   0.836   0.836
  442   2HH2  ARG  22          2HH2      ARG  22 -12.078   0.986   0.986
  443    H    GLN  23           H        GLN  23  -5.451  -4.669  -4.669
  444    HA   GLN  23           HA       GLN  23  -6.518  -7.268  -7.268
  445   1HB   GLN  23          2HB       GLN  23  -4.883  -5.166  -5.166
  446   2HB   GLN  23          1HB       GLN  23  -4.708  -6.821  -6.821
  447   1HG   GLN  23          2HG       GLN  23  -7.489  -5.885  -5.885
  448   2HG   GLN  23          1HG       GLN  23  -6.640  -5.154  -5.154
  449   1HE2  GLN  23          2HE2      GLN  23  -6.800  -9.252  -9.252
  450   2HE2  GLN  23          1HE2      GLN  23  -6.297  -8.500  -8.500
  451    H    ASN  24           H        ASN  24  -3.329  -5.884  -5.884
  452    HA   ASN  24           HA       ASN  24  -1.856  -8.282  -8.282
  453   1HB   ASN  24          2HB       ASN  24  -1.275  -5.889  -5.889
  454   2HB   ASN  24          1HB       ASN  24  -0.118  -7.143  -7.143
  455   1HD2  ASN  24          2HD2      ASN  24   0.690  -4.798  -4.798
  456   2HD2  ASN  24          1HD2      ASN  24   1.144  -5.332  -5.332
  457    H    ALA  25           H        ALA  25  -3.455  -6.770  -6.770
  458    HA   ALA  25           HA       ALA  25  -2.567  -8.583  -8.583
  459   1HB   ALA  25          1HB       ALA  25  -5.021  -6.835  -6.835
  460   2HB   ALA  25          3HB       ALA  25  -4.688  -7.845  -7.845
  461   3HB   ALA  25          2HB       ALA  25  -3.563  -6.564  -6.564
  462    H    LEU  26           H        LEU  26  -5.582  -8.501  -8.501
  463    HA   LEU  26           HA       LEU  26  -6.627 -10.930 -10.930
  464   1HB   LEU  26          2HB       LEU  26  -7.227  -9.218  -9.218
  465   2HB   LEU  26          1HB       LEU  26  -7.928 -10.833 -10.833
  466    HG   LEU  26           HG       LEU  26  -8.103  -8.914  -8.914
  467   1HD1  LEU  26          3HD1      LEU  26  -9.828  -9.082  -9.082
  468   2HD1  LEU  26          2HD1      LEU  26 -10.478  -8.508  -8.508
  469   3HD1  LEU  26          1HD1      LEU  26  -9.145  -7.648  -7.648
  470   1HD2  LEU  26          2HD2      LEU  26  -9.534 -11.415 -11.415
  471   2HD2  LEU  26          1HD2      LEU  26  -8.691 -11.132 -11.132
  472   3HD2  LEU  26          3HD2      LEU  26 -10.235 -10.340 -10.340
  473    H    LEU  27           H        LEU  27  -4.496 -10.150 -10.150
  474    HA   LEU  27           HA       LEU  27  -4.585 -12.654 -12.654
  475   1HB   LEU  27          2HB       LEU  27  -2.722 -10.322 -10.322
  476   2HB   LEU  27          1HB       LEU  27  -2.139 -11.845 -11.845
  477    HG   LEU  27           HG       LEU  27  -4.813 -10.708 -10.708
  478   1HD1  LEU  27          3HD1      LEU  27  -2.070  -9.860  -9.860
  479   2HD1  LEU  27          2HD1      LEU  27  -3.275 -10.032 -10.032
  480   3HD1  LEU  27          1HD1      LEU  27  -3.564  -8.924  -8.924
  481   1HD2  LEU  27          2HD2      LEU  27  -2.895 -12.801 -12.801
  482   2HD2  LEU  27          1HD2      LEU  27  -4.645 -12.897 -12.897
  483   3HD2  LEU  27          3HD2      LEU  27  -3.955 -12.002 -12.002
  484    H    GLU  28           H        GLU  28  -2.126 -11.317 -11.317
  485    HA   GLU  28           HA       GLU  28  -0.598 -13.654 -13.654
  486   1HB   GLU  28          2HB       GLU  28   0.122 -11.386 -11.386
  487   2HB   GLU  28          1HB       GLU  28  -1.023 -11.497 -11.497
  488   1HG   GLU  28          2HG       GLU  28   0.265 -12.989 -12.989
  489   2HG   GLU  28          1HG       GLU  28   0.816 -13.805 -13.805
  490    H    GLN  29           H        GLN  29  -3.342 -12.451 -12.451
  491    HA   GLN  29           HA       GLN  29  -3.379 -14.364 -14.364
  492   1HB   GLN  29          2HB       GLN  29  -4.893 -12.242 -12.242
  493   2HB   GLN  29          1HB       GLN  29  -5.971 -13.438 -13.438
  494   1HG   GLN  29          2HG       GLN  29  -6.553 -13.209 -13.209
  495   2HG   GLN  29          1HG       GLN  29  -5.793 -14.783 -14.783
  496   1HE2  GLN  29          2HE2      GLN  29  -3.697 -11.857 -11.857
  497   2HE2  GLN  29          1HE2      GLN  29  -4.928 -11.403 -11.403
  498    H    GLN  30           H        GLN  30  -4.455 -14.567 -14.567
  499    HA   GLN  30           HA       GLN  30  -5.742 -17.153 -17.153
  500   1HB   GLN  30          2HB       GLN  30  -6.363 -15.217 -15.217
  501   2HB   GLN  30          1HB       GLN  30  -5.205 -16.084 -16.084
  502   1HG   GLN  30          2HG       GLN  30  -6.482 -18.209 -18.209
  503   2HG   GLN  30          1HG       GLN  30  -7.718 -17.189 -17.189
  504   1HE2  GLN  30          2HE2      GLN  30  -7.483 -17.460 -17.460
  505   2HE2  GLN  30          1HE2      GLN  30  -6.388 -18.287 -18.287
  506    H    VAL  31           H        VAL  31  -2.792 -15.793 -15.793
  507    HA   VAL  31           HA       VAL  31  -1.841 -18.198 -18.198
  508    HB   VAL  31           HB       VAL  31  -0.261 -15.798 -15.798
  509   1HG1  VAL  31          1HG1      VAL  31   1.095 -17.816 -17.816
  510   2HG1  VAL  31          3HG1      VAL  31   0.362 -17.901 -17.901
  511   3HG1  VAL  31          2HG1      VAL  31   1.386 -16.531 -16.531
  512   1HG2  VAL  31          2HG2      VAL  31  -2.286 -15.775 -15.775
  513   2HG2  VAL  31          1HG2      VAL  31  -0.916 -14.663 -14.663
  514   3HG2  VAL  31          3HG2      VAL  31  -0.881 -16.109 -16.109
  515    H    ARG  32           H        ARG  32  -1.597 -16.759 -16.759
  516    HA   ARG  32           HA       ARG  32   0.447 -18.518 -18.518
  517   1HB   ARG  32          2HB       ARG  32  -1.524 -16.669 -16.669
  518   2HB   ARG  32          1HB       ARG  32  -0.459 -17.719 -17.719
  519   1HG   ARG  32          2HG       ARG  32   0.780 -16.094 -16.094
  520   2HG   ARG  32          1HG       ARG  32   0.280 -15.246 -15.246
  521   1HD   ARG  32          2HD       ARG  32   2.368 -15.880 -15.880
  522   2HD   ARG  32          1HD       ARG  32   1.505 -17.350 -17.350
  523    HE   ARG  32           HE       ARG  32   2.302 -17.750 -17.750
  524   1HH1  ARG  32          1HH1      ARG  32   3.912 -16.971 -16.971
  525   2HH1  ARG  32          2HH1      ARG  32   5.382 -17.763 -17.763
  526   1HH2  ARG  32          1HH2      ARG  32   4.237 -18.769 -18.769
  527   2HH2  ARG  32          2HH2      ARG  32   5.567 -18.771 -18.771
  528    H    ALA  33           H        ALA  33  -3.078 -18.516 -18.516
  529    HA   ALA  33           HA       ALA  33  -3.369 -20.773 -20.773
  530   1HB   ALA  33          3HB       ALA  33  -5.154 -19.035 -19.035
  531   2HB   ALA  33          2HB       ALA  33  -5.364 -19.881 -19.881
  532   3HB   ALA  33          1HB       ALA  33  -5.679 -20.720 -20.720
  533    H    LEU  34           H        LEU  34  -3.718 -20.391 -20.391
  534    HA   LEU  34           HA       LEU  34  -4.054 -23.141 -23.141
  535   1HB   LEU  34          2HB       LEU  34  -3.333 -20.724 -20.724
  536   2HB   LEU  34          1HB       LEU  34  -3.065 -22.311 -22.311
  537    HG   LEU  34           HG       LEU  34  -5.300 -21.428 -21.428
  538   1HD1  LEU  34          2HD1      LEU  34  -4.723 -23.949 -23.949
  539   2HD1  LEU  34          1HD1      LEU  34  -5.906 -23.620 -23.620
  540   3HD1  LEU  34          3HD1      LEU  34  -6.361 -23.458 -23.458
  541   1HD2  LEU  34          1HD2      LEU  34  -5.760 -21.510 -21.510
  542   2HD2  LEU  34          3HD2      LEU  34  -5.687 -20.057 -20.057
  543   3HD2  LEU  34          2HD2      LEU  34  -7.008 -21.205 -21.205
  544   1HN   NH2  35          1HT       LEU  34  -2.443 -24.493 -24.493
  545   2HN   NH2  35          2HT       LEU  34  -0.801 -24.391 -24.391

  Start of MODEL   13
    1   1H    ACE   2          1HA       ACE   2  -1.315  23.586  23.586
    2   2H    ACE   2          2HA       ACE   2  -1.157  25.290  25.290
    3   3H    ACE   2          3HA       ACE   2  -1.389  24.823  24.823
    4    H    CYS   3           H        CYS   3   0.550  22.527  22.527
    5    HA   CYS   3           HA       CYS   3   2.790  22.025  22.025
    6   1HB   CYS   3          2HB       CYS   3   2.798  24.913  24.913
    7   2HB   CYS   3          1HB       CYS   3   4.313  24.188  24.188
    8    H    GLY   4           H        GLY   4   4.870  22.698  22.698
    9   1HA   GLY   4          2HA       GLY   4   5.910  23.206  23.206
   10   2HA   GLY   4          1HA       GLY   4   4.497  24.161  24.161
   11    H    GLY   5           H        GLY   5   5.693  20.835  20.835
   12   1HA   GLY   5          2HA       GLY   5   5.523  19.391  19.391
   13   2HA   GLY   5          1HA       GLY   5   3.945  20.110  20.110
   14    H    VAL   6           H        VAL   6   3.159  20.078  20.078
   15    HA   VAL   6           HA       VAL   6   2.061  17.421  17.421
   16    HB   VAL   6           HB       VAL   6   1.975  19.542  19.542
   17   1HG1  VAL   6          2HG1      VAL   6   0.575  16.948  16.948
   18   2HG1  VAL   6          1HG1      VAL   6  -0.334  18.248  18.248
   19   3HG1  VAL   6          3HG1      VAL   6   1.129  17.624  17.624
   20   1HG2  VAL   6          2HG2      VAL   6   1.170  20.253  20.253
   21   2HG2  VAL   6          1HG2      VAL   6  -0.008  20.391  20.391
   22   3HG2  VAL   6          3HG2      VAL   6  -0.094  19.035  19.035
   23    H    GLN   7           H        GLN   7   4.692  19.124  19.124
   24    HA   GLN   7           HA       GLN   7   5.160  17.365  17.365
   25   1HB   GLN   7          2HB       GLN   7   7.201  18.969  18.969
   26   2HB   GLN   7          1HB       GLN   7   7.415  18.304  18.304
   27   1HG   GLN   7          2HG       GLN   7   5.022  20.022  20.022
   28   2HG   GLN   7          1HG       GLN   7   6.590  20.832  20.832
   29   1HE2  GLN   7          2HE2      GLN   7   7.186  20.164  20.164
   30   2HE2  GLN   7          1HE2      GLN   7   7.937  20.543  20.543
   31    H    ALA   8           H        ALA   8   6.276  17.331  17.331
   32    HA   ALA   8           HA       ALA   8   7.971  15.031  15.031
   33   1HB   ALA   8          3HB       ALA   8   7.967  16.918  16.918
   34   2HB   ALA   8          2HB       ALA   8   6.897  15.777  15.777
   35   3HB   ALA   8          1HB       ALA   8   8.526  15.282  15.282
   36    H    GLU   9           H        GLU   9   4.720  15.621  15.621
   37    HA   GLU   9           HA       GLU   9   4.188  13.004  13.004
   38   1HB   GLU   9          2HB       GLU   9   2.831  15.301  15.301
   39   2HB   GLU   9          1HB       GLU   9   1.957  14.593  14.593
   40   1HG   GLU   9          2HG       GLU   9   0.782  13.758  13.758
   41   2HG   GLU   9          1HG       GLU   9   1.893  12.442  12.442
   42    H    GLU  10           H        GLU  10   3.719  14.561  14.561
   43    HA   GLU  10           HA       GLU  10   2.342  12.425  12.425
   44   1HB   GLU  10          2HB       GLU  10   2.600  14.831  14.831
   45   2HB   GLU  10          1HB       GLU  10   4.188  14.336  14.336
   46   1HG   GLU  10          2HG       GLU  10   2.952  12.374  12.374
   47   2HG   GLU  10          1HG       GLU  10   1.482  13.304  13.304
   48    H    GLN  11           H        GLN  11   5.741  13.124  13.124
   49    HA   GLN  11           HA       GLN  11   6.836  11.250  11.250
   50   1HB   GLN  11          2HB       GLN  11   8.010  13.122  13.122
   51   2HB   GLN  11          1HB       GLN  11   8.138  11.887  11.887
   52   1HG   GLN  11          2HG       GLN  11   8.930  11.089  11.089
   53   2HG   GLN  11          1HG       GLN  11  10.010  12.193  12.193
   54   1HE2  GLN  11          2HE2      GLN  11   9.986   8.307   8.307
   55   2HE2  GLN  11          1HE2      GLN  11   9.172   8.901   8.901
   56    H    LYS  12           H        LYS  12   5.569  10.954  10.954
   57    HA   LYS  12           HA       LYS  12   6.572   8.306   8.306
   58   1HB   LYS  12          2HB       LYS  12   5.722  10.083  10.083
   59   2HB   LYS  12          1HB       LYS  12   4.134   9.403   9.403
   60   1HG   LYS  12          2HG       LYS  12   4.751   7.987   7.987
   61   2HG   LYS  12          1HG       LYS  12   5.464   7.108   7.108
   62   1HD   LYS  12          2HD       LYS  12   7.275   7.228   7.228
   63   2HD   LYS  12          1HD       LYS  12   7.540   8.665   8.665
   64   1HE   LYS  12          2HE       LYS  12   6.904  10.114  10.114
   65   2HE   LYS  12          1HE       LYS  12   5.812   8.942   8.942
   66   1HZ   LYS  12          1HZ       LYS  12   7.948   7.660   7.660
   67   2HZ   LYS  12          3HZ       LYS  12   8.749   9.125   9.125
   68   3HZ   LYS  12          2HZ       LYS  12   7.591   9.032   9.032
   69    H    LEU  13           H        LEU  13   3.492   9.662   9.662
   70    HA   LEU  13           HA       LEU  13   2.037   7.247   7.247
   71   1HB   LEU  13          2HB       LEU  13   1.775   9.864   9.864
   72   2HB   LEU  13          1HB       LEU  13   0.690   8.509   8.509
   73    HG   LEU  13           HG       LEU  13   1.168   9.375   9.375
   74   1HD1  LEU  13          3HD1      LEU  13   0.541  11.360  11.360
   75   2HD1  LEU  13          2HD1      LEU  13  -1.032  10.573  10.573
   76   3HD1  LEU  13          1HD1      LEU  13  -0.426  11.105  11.105
   77   1HD2  LEU  13          3HD2      LEU  13  -0.188   7.303   7.303
   78   2HD2  LEU  13          2HD2      LEU  13  -0.812   8.227   8.227
   79   3HD2  LEU  13          1HD2      LEU  13  -1.441   8.518   8.518
   80    H    ILE  14           H        ILE  14   4.088   8.882   8.882
   81    HA   ILE  14           HA       ILE  14   3.573   7.077   7.077
   82    HB   ILE  14           HB       ILE  14   6.020   8.807   8.807
   83   1HG1  ILE  14          2HG1      ILE  14   3.714   9.551   9.551
   84   2HG1  ILE  14          1HG1      ILE  14   3.573   9.825   9.825
   85   1HG2  ILE  14          1HG2      ILE  14   4.812   7.573   7.573
   86   2HG2  ILE  14          3HG2      ILE  14   6.160   8.710   8.710
   87   3HG2  ILE  14          2HG2      ILE  14   6.343   7.120   7.120
   88   1HD1  ILE  14          3HD1      ILE  14   5.837  10.839  10.839
   89   2HD1  ILE  14          2HD1      ILE  14   4.487  11.814  11.814
   90   3HD1  ILE  14          1HD1      ILE  14   5.646  11.142  11.142
   91    H    SER  15           H        SER  15   6.380   7.416   7.416
   92    HA   SER  15           HA       SER  15   7.760   5.137   5.137
   93   1HB   SER  15          2HB       SER  15   8.880   5.233   5.233
   94   2HB   SER  15          1HB       SER  15   8.922   6.741   6.741
   95    HG   SER  15           HG       SER  15   7.345   6.016   6.016
   96    H    GLU  16           H        GLU  16   5.190   5.529   5.529
   97    HA   GLU  16           HA       GLU  16   5.388   2.865   2.865
   98   1HB   GLU  16          2HB       GLU  16   4.349   4.823   4.823
   99   2HB   GLU  16          1HB       GLU  16   2.987   4.699   4.699
  100   1HG   GLU  16          2HG       GLU  16   2.188   3.316   3.316
  101   2HG   GLU  16          1HG       GLU  16   3.134   2.124   2.124
  102    H    GLU  17           H        GLU  17   3.336   4.486   4.486
  103    HA   GLU  17           HA       GLU  17   1.665   2.256   2.256
  104   1HB   GLU  17          2HB       GLU  17   1.160   4.641   4.641
  105   2HB   GLU  17          1HB       GLU  17   2.372   4.506   4.506
  106   1HG   GLU  17          2HG       GLU  17   1.046   2.384   2.384
  107   2HG   GLU  17          1HG       GLU  17  -0.257   3.058   3.058
  108    H    ASP  18           H        ASP  18   4.730   3.382   3.382
  109    HA   ASP  18           HA       ASP  18   4.854   1.640   1.640
  110   1HB   ASP  18          2HB       ASP  18   6.363   3.682   3.682
  111   2HB   ASP  18          1HB       ASP  18   7.319   2.472   2.472
  112    H    LEU  19           H        LEU  19   5.795   1.282   1.282
  113    HA   LEU  19           HA       LEU  19   7.213  -1.150  -1.150
  114   1HB   LEU  19          2HB       LEU  19   6.817   0.528   0.528
  115   2HB   LEU  19          1HB       LEU  19   5.593  -0.678  -0.678
  116    HG   LEU  19           HG       LEU  19   7.643  -2.324  -2.324
  117   1HD1  LEU  19          1HD1      LEU  19   8.859   0.275   0.275
  118   2HD1  LEU  19          3HD1      LEU  19   9.681  -1.275  -1.275
  119   3HD1  LEU  19          2HD1      LEU  19   9.283  -0.647  -0.647
  120   1HD2  LEU  19          1HD2      LEU  19   6.876  -0.946  -0.946
  121   2HD2  LEU  19          3HD2      LEU  19   6.567  -2.609  -2.609
  122   3HD2  LEU  19          2HD2      LEU  19   8.191  -2.120  -2.120
  123    H    LEU  20           H        LEU  20   3.793  -0.457  -0.457
  124    HA   LEU  20           HA       LEU  20   2.990  -3.168  -3.168
  125   1HB   LEU  20          2HB       LEU  20   1.600  -0.566  -0.566
  126   2HB   LEU  20          1HB       LEU  20   0.701  -2.043  -2.043
  127    HG   LEU  20           HG       LEU  20   2.252  -1.882  -1.882
  128   1HD1  LEU  20          1HD1      LEU  20   0.988   0.266   0.266
  129   2HD1  LEU  20          3HD1      LEU  20  -0.497  -0.660  -0.660
  130   3HD1  LEU  20          2HD1      LEU  20   0.392  -0.770  -0.770
  131   1HD2  LEU  20          3HD2      LEU  20  -0.080  -3.347  -3.347
  132   2HD2  LEU  20          2HD2      LEU  20   1.231  -3.945  -3.945
  133   3HD2  LEU  20          1HD2      LEU  20  -0.100  -3.040  -3.040
  134    H    ARG  21           H        ARG  21   3.417  -1.060  -1.060
  135    HA   ARG  21           HA       ARG  21   1.965  -2.521  -2.521
  136   1HB   ARG  21          2HB       ARG  21   4.265  -0.600  -0.600
  137   2HB   ARG  21          1HB       ARG  21   3.782  -1.481  -1.481
  138   1HG   ARG  21          2HG       ARG  21   1.533  -0.610  -0.610
  139   2HG   ARG  21          1HG       ARG  21   1.855   0.113   0.113
  140   1HD   ARG  21          2HD       ARG  21   3.479   1.637   1.637
  141   2HD   ARG  21          1HD       ARG  21   3.306   0.861   0.861
  142    HE   ARG  21           HE       ARG  21   0.818   1.889   1.889
  143   1HH1  ARG  21          1HH1      ARG  21   3.722   2.673   2.673
  144   2HH1  ARG  21          2HH1      ARG  21   2.989   4.002   4.002
  145   1HH2  ARG  21          1HH2      ARG  21  -0.099   3.630   3.630
  146   2HH2  ARG  21          2HH2      ARG  21   0.844   4.542   4.542
  147    H    LYS  22           H        LYS  22   5.413  -2.655  -2.655
  148    HA   LYS  22           HA       LYS  22   6.128  -4.718  -4.718
  149   1HB   LYS  22          2HB       LYS  22   7.566  -3.132  -3.132
  150   2HB   LYS  22          1HB       LYS  22   7.508  -4.563  -4.563
  151   1HG   LYS  22          2HG       LYS  22   8.723  -5.851  -5.851
  152   2HG   LYS  22          1HG       LYS  22   8.148  -4.959  -4.959
  153   1HD   LYS  22          2HD       LYS  22  10.270  -4.089  -4.089
  154   2HD   LYS  22          1HD       LYS  22   9.514  -2.987  -2.987
  155   1HE   LYS  22          2HE       LYS  22  10.198  -4.483  -4.483
  156   2HE   LYS  22          1HE       LYS  22  11.005  -5.534  -5.534
  157   1HZ   LYS  22          3HZ       LYS  22  12.174  -3.344  -3.344
  158   2HZ   LYS  22          2HZ       LYS  22  11.722  -2.815  -2.815
  159   3HZ   LYS  22          1HZ       LYS  22  12.712  -4.184  -4.184
  160    H    ARG  23           H        ARG  23   5.019  -4.782  -4.782
  161    HA   ARG  23           HA       ARG  23   5.285  -7.586  -7.586
  162   1HB   ARG  23          2HB       ARG  23   5.010  -5.884  -5.884
  163   2HB   ARG  23          1HB       ARG  23   3.309  -5.768  -5.768
  164   1HG   ARG  23          2HG       ARG  23   3.141  -7.421  -7.421
  165   2HG   ARG  23          1HG       ARG  23   3.471  -8.431  -8.431
  166   1HD   ARG  23          2HD       ARG  23   5.748  -8.689  -8.689
  167   2HD   ARG  23          1HD       ARG  23   5.714  -7.324  -7.324
  168    HE   ARG  23           HE       ARG  23   5.052 -10.031 -10.031
  169   1HH1  ARG  23          1HH1      ARG  23   4.165  -6.719  -6.719
  170   2HH1  ARG  23          2HH1      ARG  23   3.559  -7.095  -7.095
  171   1HH2  ARG  23          1HH2      ARG  23   4.252 -10.479 -10.479
  172   2HH2  ARG  23          2HH2      ARG  23   3.608  -9.204  -9.204
  173    H    ARG  24           H        ARG  24   2.765  -5.544  -5.544
  174    HA   ARG  24           HA       ARG  24   0.663  -7.444  -7.444
  175   1HB   ARG  24          2HB       ARG  24   0.445  -4.949  -4.949
  176   2HB   ARG  24          1HB       ARG  24   1.044  -5.249  -5.249
  177   1HG   ARG  24          2HG       ARG  24  -0.822  -7.039  -7.039
  178   2HG   ARG  24          1HG       ARG  24  -1.510  -6.228  -6.228
  179   1HD   ARG  24          2HD       ARG  24  -1.408  -4.070  -4.070
  180   2HD   ARG  24          1HD       ARG  24  -0.924  -4.999  -4.999
  181    HE   ARG  24           HE       ARG  24  -3.228  -6.221  -6.221
  182   1HH1  ARG  24          1HH1      ARG  24  -2.366  -2.905  -2.905
  183   2HH1  ARG  24          2HH1      ARG  24  -3.958  -2.486  -2.486
  184   1HH2  ARG  24          1HH2      ARG  24  -5.288  -5.634  -5.634
  185   2HH2  ARG  24          2HH2      ARG  24  -5.599  -4.016  -4.016
  186    H    GLU  25           H        GLU  25   2.785  -6.384  -6.384
  187    HA   GLU  25           HA       GLU  25   1.937  -8.333  -8.333
  188   1HB   GLU  25          2HB       GLU  25   4.064  -7.832  -7.832
  189   2HB   GLU  25          1HB       GLU  25   3.177  -6.377  -6.377
  190   1HG   GLU  25          2HG       GLU  25   4.622  -6.017  -6.017
  191   2HG   GLU  25          1HG       GLU  25   5.429  -7.563  -7.563
  192    H    GLN  26           H        GLN  26   4.325  -8.412  -8.412
  193    HA   GLN  26           HA       GLN  26   5.558 -10.869 -10.869
  194   1HB   GLN  26          2HB       GLN  26   5.673  -9.162  -9.162
  195   2HB   GLN  26          1HB       GLN  26   6.314 -10.804 -10.804
  196   1HG   GLN  26          2HG       GLN  26   7.081  -8.913  -8.913
  197   2HG   GLN  26          1HG       GLN  26   7.937  -8.899  -8.899
  198   1HE2  GLN  26          2HE2      GLN  26   9.989 -11.370 -11.370
  199   2HE2  GLN  26          1HE2      GLN  26   9.893  -9.737  -9.737
  200    H    LEU  27           H        LEU  27   2.899  -9.959  -9.959
  201    HA   LEU  27           HA       LEU  27   2.578 -12.490 -12.490
  202   1HB   LEU  27          2HB       LEU  27   0.923 -10.020 -10.020
  203   2HB   LEU  27          1HB       LEU  27   0.122 -11.507 -11.507
  204    HG   LEU  27           HG       LEU  27   2.689 -10.680 -10.680
  205   1HD1  LEU  27          3HD1      LEU  27   0.963  -8.756  -8.756
  206   2HD1  LEU  27          2HD1      LEU  27  -0.011  -9.775  -9.775
  207   3HD1  LEU  27          1HD1      LEU  27   1.588  -9.238  -9.238
  208   1HD2  LEU  27          3HD2      LEU  27   0.288 -12.385 -12.385
  209   2HD2  LEU  27          2HD2      LEU  27   2.000 -12.799 -12.799
  210   3HD2  LEU  27          1HD2      LEU  27   1.269 -11.750 -11.750
  211    H    LYS  28           H        LYS  28   1.412 -11.076 -11.076
  212    HA   LYS  28           HA       LYS  28  -0.496 -13.171 -13.171
  213   1HB   LYS  28          2HB       LYS  28  -0.296 -10.670 -10.670
  214   2HB   LYS  28          1HB       LYS  28   0.587 -11.503 -11.503
  215   1HG   LYS  28          2HG       LYS  28  -1.977 -12.735 -12.735
  216   2HG   LYS  28          1HG       LYS  28  -2.087 -11.244 -11.244
  217   1HD   LYS  28          2HD       LYS  28  -0.340 -13.533 -13.533
  218   2HD   LYS  28          1HD       LYS  28  -2.053 -13.469 -13.469
  219   1HE   LYS  28          2HE       LYS  28   0.022 -11.356 -11.356
  220   2HE   LYS  28          1HE       LYS  28  -0.740 -12.455 -12.455
  221   1HZ   LYS  28          3HZ       LYS  28  -2.910 -11.446 -11.446
  222   2HZ   LYS  28          2HZ       LYS  28  -1.903 -10.166 -10.166
  223   3HZ   LYS  28          1HZ       LYS  28  -2.023 -10.582 -10.582
  224    H    HIS  29           H        HIS  29   2.854 -12.491 -12.491
  225    HA   HIS  29           HA       HIS  29   3.164 -14.427 -14.427
  226   1HB   HIS  29          2HB       HIS  29   5.097 -13.041 -13.041
  227   2HB   HIS  29          1HB       HIS  29   5.636 -14.280 -14.280
  228    HD1  HIS  29           HD1      HIS  29   3.907 -13.635 -13.635
  229    HD2  HIS  29           HD2      HIS  29   5.828 -10.703 -10.703
  230    HE1  HIS  29           HE1      HIS  29   4.147 -11.612 -11.612
  231    H    LYS  30           H        LYS  30   3.535 -14.529 -14.529
  232    HA   LYS  30           HA       LYS  30   4.592 -17.186 -17.186
  233   1HB   LYS  30          2HB       LYS  30   3.172 -15.609 -15.609
  234   2HB   LYS  30          1HB       LYS  30   4.135 -17.066 -17.066
  235   1HG   LYS  30          2HG       LYS  30   5.438 -14.834 -14.834
  236   2HG   LYS  30          1HG       LYS  30   5.177 -14.597 -14.597
  237   1HD   LYS  30          2HD       LYS  30   7.211 -15.676 -15.676
  238   2HD   LYS  30          1HD       LYS  30   6.154 -17.087 -17.087
  239   1HE   LYS  30          2HE       LYS  30   6.526 -17.521 -17.521
  240   2HE   LYS  30          1HE       LYS  30   7.134 -15.892 -15.892
  241   1HZ   LYS  30          2HZ       LYS  30   8.975 -16.516 -16.516
  242   2HZ   LYS  30          1HZ       LYS  30   8.473 -18.124 -18.124
  243   3HZ   LYS  30          3HZ       LYS  30   9.025 -17.225 -17.225
  244    H    LEU  31           H        LEU  31   1.376 -15.792 -15.792
  245    HA   LEU  31           HA       LEU  31   0.091 -18.305 -18.305
  246   1HB   LEU  31          2HB       LEU  31  -0.829 -15.521 -15.521
  247   2HB   LEU  31          1HB       LEU  31  -1.978 -16.844 -16.844
  248    HG   LEU  31           HG       LEU  31  -0.318 -16.548 -16.548
  249   1HD1  LEU  31          2HD1      LEU  31  -3.003 -15.327 -15.327
  250   2HD1  LEU  31          1HD1      LEU  31  -2.444 -15.545 -15.545
  251   3HD1  LEU  31          3HD1      LEU  31  -1.553 -14.493 -14.493
  252   1HD2  LEU  31          1HD2      LEU  31  -1.701 -18.670 -18.670
  253   2HD2  LEU  31          3HD2      LEU  31  -1.709 -18.187 -18.187
  254   3HD2  LEU  31          2HD2      LEU  31  -3.058 -17.748 -17.748
  255    H    GLU  32           H        GLU  32   0.808 -16.417 -16.417
  256    HA   GLU  32           HA       GLU  32  -0.788 -18.160 -18.160
  257   1HB   GLU  32          2HB       GLU  32  -0.294 -15.558 -15.558
  258   2HB   GLU  32          1HB       GLU  32   1.117 -16.157 -16.157
  259   1HG   GLU  32          2HG       GLU  32  -0.648 -17.714 -17.714
  260   2HG   GLU  32          1HG       GLU  32  -1.792 -16.478 -16.478
  261    H    GLN  33           H        GLN  33   2.616 -17.080 -17.080
  262    HA   GLN  33           HA       GLN  33   3.543 -19.111 -19.111
  263   1HB   GLN  33          2HB       GLN  33   4.676 -16.881 -16.881
  264   2HB   GLN  33          1HB       GLN  33   5.395 -18.040 -18.040
  265   1HG   GLN  33          2HG       GLN  33   6.167 -19.401 -19.401
  266   2HG   GLN  33          1HG       GLN  33   5.478 -18.212 -18.212
  267   1HE2  GLN  33          2HE2      GLN  33   8.691 -16.713 -16.713
  268   2HE2  GLN  33          1HE2      GLN  33   7.563 -17.582 -17.582
  269    H    LEU  34           H        LEU  34   3.298 -18.923 -18.923
  270    HA   LEU  34           HA       LEU  34   3.437 -20.526 -20.526
  271   1HB   LEU  34          2HB       LEU  34   2.970 -22.372 -22.372
  272   2HB   LEU  34          1HB       LEU  34   2.944 -22.881 -22.881
  273    HG   LEU  34           HG       LEU  34   1.266 -20.529 -20.529
  274   1HD1  LEU  34          2HD1      LEU  34   1.026 -22.431 -22.431
  275   2HD1  LEU  34          1HD1      LEU  34   0.204 -23.304 -23.304
  276   3HD1  LEU  34          3HD1      LEU  34  -0.433 -21.759 -21.759
  277   1HD2  LEU  34          2HD2      LEU  34   1.555 -21.659 -21.659
  278   2HD2  LEU  34          1HD2      LEU  34  -0.093 -21.334 -21.334
  279   3HD2  LEU  34          3HD2      LEU  34   0.569 -22.964 -22.964
  280   1HN   NH2  35          1HT       LEU  34   4.952 -22.553 -22.553
  281   2HN   NH2  35          2HT       LEU  34   6.483 -22.584 -22.584
  282   1H    ACE   2          1HA       ACE   2   0.067  28.504  28.504
  283   2H    ACE   2          2HA       ACE   2  -0.029  28.551  28.551
  284   3H    ACE   2          3HA       ACE   2   1.488  28.938  28.938
  285    H    CYS   3           H        CYS   3  -0.298  26.402  26.402
  286    HA   CYS   3           HA       CYS   3   1.653  24.443  24.443
  287   1HB   CYS   3          2HB       CYS   3   1.158  24.854  24.854
  288   2HB   CYS   3          1HB       CYS   3  -0.296  23.904  23.904
  289    H    GLY   4           H        GLY   4  -1.782  24.375  24.375
  290   1HA   GLY   4          2HA       GLY   4  -3.614  23.344  23.344
  291   2HA   GLY   4          1HA       GLY   4  -2.786  23.502  23.502
  292    H    GLY   5           H        GLY   5  -4.361  21.293  21.293
  293   1HA   GLY   5          2HA       GLY   5  -4.323  18.993  18.993
  294   2HA   GLY   5          1HA       GLY   5  -2.644  19.149  19.149
  295    H    MET   6           H        MET   6  -3.840  20.362  20.362
  296    HA   MET   6           HA       MET   6  -1.857  18.877  18.877
  297   1HB   MET   6          2HB       MET   6  -2.961  21.216  21.216
  298   2HB   MET   6          1HB       MET   6  -4.157  20.225  20.225
  299   1HG   MET   6          2HG       MET   6  -2.278  19.108  19.108
  300   2HG   MET   6          1HG       MET   6  -1.166  20.256  20.256
  301   1HE   MET   6          2HE       MET   6  -2.701  19.191  19.191
  302   2HE   MET   6          1HE       MET   6  -1.537  20.254  20.254
  303   3HE   MET   6          3HE       MET   6  -3.271  20.486  20.486
  304    H    ARG   7           H        ARG   7  -5.403  19.003  19.003
  305    HA   ARG   7           HA       ARG   7  -5.435  16.450  16.450
  306   1HB   ARG   7          2HB       ARG   7  -7.034  18.327  18.327
  307   2HB   ARG   7          1HB       ARG   7  -7.794  18.024  18.024
  308   1HG   ARG   7          2HG       ARG   7  -8.140  15.633  15.633
  309   2HG   ARG   7          1HG       ARG   7  -7.564  16.086  16.086
  310   1HD   ARG   7          2HD       ARG   7  -9.368  17.689  17.689
  311   2HD   ARG   7          1HD       ARG   7  -9.894  17.416  17.416
  312    HE   ARG   7           HE       ARG   7 -10.459  15.744  15.744
  313   1HH1  ARG   7          1HH1      ARG   7 -10.130  15.832  15.832
  314   2HH1  ARG   7          2HH1      ARG   7 -11.143  14.452  14.452
  315   1HH2  ARG   7          1HH2      ARG   7 -11.775  13.948  13.948
  316   2HH2  ARG   7          2HH2      ARG   7 -12.067  13.393  13.393
  317    H    ARG   8           H        ARG   8  -6.055  17.652  17.652
  318    HA   ARG   8           HA       ARG   8  -7.453  15.443  15.443
  319   1HB   ARG   8          2HB       ARG   8  -6.458  17.869  17.869
  320   2HB   ARG   8          1HB       ARG   8  -5.644  16.630  16.630
  321   1HG   ARG   8          2HG       ARG   8  -8.616  16.497  16.497
  322   2HG   ARG   8          1HG       ARG   8  -7.957  17.470  17.470
  323   1HD   ARG   8          2HD       ARG   8  -6.972  15.569  15.569
  324   2HD   ARG   8          1HD       ARG   8  -7.214  14.567  14.567
  325    HE   ARG   8           HE       ARG   8  -9.361  14.138  14.138
  326   1HH1  ARG   8          1HH1      ARG   8  -8.150  17.020  17.020
  327   2HH1  ARG   8          2HH1      ARG   8  -9.525  17.168  17.168
  328   1HH2  ARG   8          1HH2      ARG   8 -11.135  14.367  14.367
  329   2HH2  ARG   8          2HH2      ARG   8 -11.201  15.679  15.679
  330    H    LYS   9           H        LYS   9  -3.981  16.138  16.138
  331    HA   LYS   9           HA       LYS   9  -3.148  13.770  13.770
  332   1HB   LYS   9          2HB       LYS   9  -1.736  15.719  15.719
  333   2HB   LYS   9          1HB       LYS   9  -0.927  14.288  14.288
  334   1HG   LYS   9          2HG       LYS   9  -2.421  16.095  16.095
  335   2HG   LYS   9          1HG       LYS   9  -0.812  16.561  16.561
  336   1HD   LYS   9          2HD       LYS   9  -0.029  14.244  14.244
  337   2HD   LYS   9          1HD       LYS   9  -1.596  14.051  14.051
  338   1HE   LYS   9          2HE       LYS   9  -1.135  15.648  15.648
  339   2HE   LYS   9          1HE       LYS   9  -0.021  16.531  16.531
  340   1HZ   LYS   9          3HZ       LYS   9   1.454  14.505  14.505
  341   2HZ   LYS   9          2HZ       LYS   9   0.453  14.002  14.002
  342   3HZ   LYS   9          1HZ       LYS   9   1.315  15.463  15.463
  343    H    ASN  10           H        ASN  10  -3.443  14.658  14.658
  344    HA   ASN  10           HA       ASN  10  -2.494  12.186  12.186
  345   1HB   ASN  10          2HB       ASN  10  -4.156  14.414  14.414
  346   2HB   ASN  10          1HB       ASN  10  -3.803  12.951  12.951
  347   1HD2  ASN  10          2HD2      ASN  10  -1.087  15.731  15.731
  348   2HD2  ASN  10          1HD2      ASN  10  -2.767  15.930  15.930
  349    H    ASP  11           H        ASP  11  -5.633  13.321  13.321
  350    HA   ASP  11           HA       ASP  11  -7.261  11.341  11.341
  351   1HB   ASP  11          2HB       ASP  11  -8.073  13.421  13.421
  352   2HB   ASP  11          1HB       ASP  11  -7.698  12.633  12.633
  353    H    THR  12           H        THR  12  -5.924  11.487  11.487
  354    HA   THR  12           HA       THR  12  -6.728   8.893   8.893
  355    HB   THR  12           HB       THR  12  -6.048  10.533  10.533
  356    HG1  THR  12           HG1      THR  12  -4.545   9.175   9.175
  357   1HG2  THR  12          3HG2      THR  12  -3.318  10.279  10.279
  358   2HG2  THR  12          2HG2      THR  12  -3.628  11.106  11.106
  359   3HG2  THR  12          1HG2      THR  12  -4.334  11.720  11.720
  360    H    HIS  13           H        HIS  13  -3.912  10.093  10.093
  361    HA   HIS  13           HA       HIS  13  -2.276   7.801   7.801
  362   1HB   HIS  13          2HB       HIS  13  -2.431  10.121  10.121
  363   2HB   HIS  13          1HB       HIS  13  -1.426   8.737   8.737
  364    HD1  HIS  13           HD1      HIS  13  -0.168   7.925   7.925
  365    HD2  HIS  13           HD2      HIS  13  -0.691  11.934  11.934
  366    HE1  HIS  13           HE1      HIS  13   1.503   9.236   9.236
  367    H    GLN  14           H        GLN  14  -4.452   8.849   8.849
  368    HA   GLN  14           HA       GLN  14  -4.181   6.596   6.596
  369   1HB   GLN  14          2HB       GLN  14  -5.365   8.843   8.843
  370   2HB   GLN  14          1HB       GLN  14  -6.779   8.092   8.092
  371   1HG   GLN  14          2HG       GLN  14  -5.326   6.484   6.484
  372   2HG   GLN  14          1HG       GLN  14  -6.250   7.869   7.869
  373   1HE2  GLN  14          2HE2      GLN  14  -8.447   4.781   4.781
  374   2HE2  GLN  14          1HE2      GLN  14  -6.931   5.025   5.025
  375    H    GLN  15           H        GLN  15  -6.133   7.141   7.141
  376    HA   GLN  15           HA       GLN  15  -7.849   4.879   4.879
  377   1HB   GLN  15          2HB       GLN  15  -7.119   6.621   6.621
  378   2HB   GLN  15          1HB       GLN  15  -8.146   5.200   5.200
  379   1HG   GLN  15          2HG       GLN  15  -9.653   6.102   6.102
  380   2HG   GLN  15          1HG       GLN  15  -8.667   7.564   7.564
  381   1HE2  GLN  15          2HE2      GLN  15 -10.966   8.792   8.792
  382   2HE2  GLN  15          1HE2      GLN  15 -10.466   8.883   8.883
  383    H    ASP  16           H        ASP  16  -4.840   5.453   5.453
  384    HA   ASP  16           HA       ASP  16  -4.675   2.920   2.920
  385   1HB   ASP  16          2HB       ASP  16  -3.232   5.158   5.158
  386   2HB   ASP  16          1HB       ASP  16  -2.159   4.277   4.277
  387    H    ILE  17           H        ILE  17  -3.285   4.136   4.136
  388    HA   ILE  17           HA       ILE  17  -1.910   1.807   1.807
  389    HB   ILE  17           HB       ILE  17  -3.016   4.174   4.174
  390   1HG1  ILE  17          2HG1      ILE  17  -0.411   3.955   3.955
  391   2HG1  ILE  17          1HG1      ILE  17  -0.391   3.081   3.081
  392   1HG2  ILE  17          2HG2      ILE  17  -2.021   1.608   1.608
  393   2HG2  ILE  17          1HG2      ILE  17  -1.787   3.157   3.157
  394   3HG2  ILE  17          3HG2      ILE  17  -3.418   2.585   2.585
  395   1HD1  ILE  17          3HD1      ILE  17  -1.714   5.783   5.783
  396   2HD1  ILE  17          2HD1      ILE  17   0.001   5.622   5.622
  397   3HD1  ILE  17          1HD1      ILE  17  -1.208   4.954   4.954
  398    H    ASP  18           H        ASP  18  -4.891   2.936   2.936
  399    HA   ASP  18           HA       ASP  18  -5.601   0.666   0.666
  400   1HB   ASP  18          2HB       ASP  18  -7.134   2.953   2.953
  401   2HB   ASP  18          1HB       ASP  18  -8.068   1.540   1.540
  402    H    ASP  19           H        ASP  19  -5.949   1.273   1.273
  403    HA   ASP  19           HA       ASP  19  -7.728  -0.946  -0.946
  404   1HB   ASP  19          2HB       ASP  19  -7.583   1.076   1.076
  405   2HB   ASP  19          1HB       ASP  19  -5.989   0.520   0.520
  406    H    LEU  20           H        LEU  20  -4.259  -0.360  -0.360
  407    HA   LEU  20           HA       LEU  20  -3.583  -2.855  -2.855
  408   1HB   LEU  20          2HB       LEU  20  -1.969  -0.845  -0.845
  409   2HB   LEU  20          1HB       LEU  20  -1.269  -2.314  -2.314
  410    HG   LEU  20           HG       LEU  20  -2.867  -0.413  -0.413
  411   1HD1  LEU  20          3HD1      LEU  20  -1.043   0.880   0.880
  412   2HD1  LEU  20          2HD1      LEU  20   0.118  -0.342  -0.342
  413   3HD1  LEU  20          1HD1      LEU  20  -0.732   0.631   0.631
  414   1HD2  LEU  20          3HD2      LEU  20  -0.903  -2.660  -2.660
  415   2HD2  LEU  20          2HD2      LEU  20  -2.512  -2.454  -2.454
  416   3HD2  LEU  20          1HD2      LEU  20  -1.172  -1.456  -1.456
  417    H    LYS  21           H        LYS  21  -3.772  -1.686  -1.686
  418    HA   LYS  21           HA       LYS  21  -2.672  -3.949  -3.949
  419   1HB   LYS  21          2HB       LYS  21  -4.483  -1.726  -1.726
  420   2HB   LYS  21          1HB       LYS  21  -4.291  -3.122  -3.122
  421   1HG   LYS  21          2HG       LYS  21  -1.799  -1.971  -1.971
  422   2HG   LYS  21          1HG       LYS  21  -2.620  -1.009  -1.009
  423   1HD   LYS  21          2HD       LYS  21  -2.624  -2.964  -2.964
  424   2HD   LYS  21          1HD       LYS  21  -1.768  -3.905  -3.905
  425   1HE   LYS  21          2HE       LYS  21  -0.090  -3.095  -3.095
  426   2HE   LYS  21          1HE       LYS  21   0.031  -2.099  -2.099
  427   1HZ   LYS  21          3HZ       LYS  21  -1.719  -1.251  -1.251
  428   2HZ   LYS  21          2HZ       LYS  21  -0.043  -0.986  -0.986
  429   3HZ   LYS  21          1HZ       LYS  21  -0.929  -0.308  -0.308
  430    H    ARG  22           H        ARG  22  -6.002  -3.144  -3.144
  431    HA   ARG  22           HA       ARG  22  -7.255  -5.385  -5.385
  432   1HB   ARG  22          2HB       ARG  22  -8.350  -3.279  -3.279
  433   2HB   ARG  22          1HB       ARG  22  -8.201  -4.092  -4.092
  434   1HG   ARG  22          2HG       ARG  22 -10.359  -4.694  -4.694
  435   2HG   ARG  22          1HG       ARG  22  -9.351  -6.098  -6.098
  436   1HD   ARG  22          2HD       ARG  22 -10.331  -5.859  -5.859
  437   2HD   ARG  22          1HD       ARG  22  -8.967  -4.769  -4.769
  438    HE   ARG  22           HE       ARG  22 -11.117  -3.309  -3.309
  439   1HH1  ARG  22          1HH1      ARG  22 -10.212  -4.936  -4.936
  440   2HH1  ARG  22          2HH1      ARG  22 -11.181  -3.906  -3.906
  441   1HH2  ARG  22          1HH2      ARG  22 -12.367  -1.989  -1.989
  442   2HH2  ARG  22          2HH2      ARG  22 -12.391  -2.250  -2.250
  443    H    GLN  23           H        GLN  23  -5.639  -4.911  -4.911
  444    HA   GLN  23           HA       GLN  23  -6.466  -7.435  -7.435
  445   1HB   GLN  23          2HB       GLN  23  -4.621  -5.237  -5.237
  446   2HB   GLN  23          1HB       GLN  23  -4.332  -6.829  -6.829
  447   1HG   GLN  23          2HG       GLN  23  -7.158  -5.909  -5.909
  448   2HG   GLN  23          1HG       GLN  23  -6.074  -5.054  -5.054
  449   1HE2  GLN  23          2HE2      GLN  23  -6.176  -9.111  -9.111
  450   2HE2  GLN  23          1HE2      GLN  23  -5.965  -8.515  -8.515
  451    H    ASN  24           H        ASN  24  -3.370  -6.183  -6.183
  452    HA   ASN  24           HA       ASN  24  -1.954  -8.613  -8.613
  453   1HB   ASN  24          2HB       ASN  24  -1.554  -6.318  -6.318
  454   2HB   ASN  24          1HB       ASN  24  -0.378  -7.586  -7.586
  455   1HD2  ASN  24          2HD2      ASN  24   0.838  -5.192  -5.192
  456   2HD2  ASN  24          1HD2      ASN  24   1.082  -5.835  -5.835
  457    H    ALA  25           H        ALA  25  -4.122  -7.295  -7.295
  458    HA   ALA  25           HA       ALA  25  -3.492  -9.070  -9.070
  459   1HB   ALA  25          2HB       ALA  25  -4.805  -7.014  -7.014
  460   2HB   ALA  25          1HB       ALA  25  -6.121  -7.696  -7.696
  461   3HB   ALA  25          3HB       ALA  25  -5.676  -8.433  -8.433
  462    H    LEU  26           H        LEU  26  -5.865  -9.215  -9.215
  463    HA   LEU  26           HA       LEU  26  -7.075 -11.656 -11.656
  464   1HB   LEU  26          2HB       LEU  26  -7.882  -9.867  -9.867
  465   2HB   LEU  26          1HB       LEU  26  -6.945 -10.834 -10.834
  466    HG   LEU  26           HG       LEU  26  -8.215 -12.859 -12.859
  467   1HD1  LEU  26          1HD1      LEU  26  -9.184 -11.573 -11.573
  468   2HD1  LEU  26          3HD1      LEU  26 -10.066 -10.568 -10.568
  469   3HD1  LEU  26          2HD1      LEU  26 -10.443 -12.285 -12.285
  470   1HD2  LEU  26          2HD2      LEU  26  -8.508 -11.664 -11.664
  471   2HD2  LEU  26          1HD2      LEU  26  -9.802 -12.720 -12.720
  472   3HD2  LEU  26          3HD2      LEU  26  -9.960 -10.970 -10.970
  473    H    LEU  27           H        LEU  27  -4.556 -10.892 -10.892
  474    HA   LEU  27           HA       LEU  27  -4.108 -13.538 -13.538
  475   1HB   LEU  27          2HB       LEU  27  -2.492 -11.012 -11.012
  476   2HB   LEU  27          1HB       LEU  27  -1.735 -12.538 -12.538
  477    HG   LEU  27           HG       LEU  27  -3.915 -12.820 -12.820
  478   1HD1  LEU  27          1HD1      LEU  27  -4.989 -10.770 -10.770
  479   2HD1  LEU  27          3HD1      LEU  27  -3.655  -9.807  -9.807
  480   3HD1  LEU  27          2HD1      LEU  27  -4.732 -10.661 -10.661
  481   1HD2  LEU  27          3HD2      LEU  27  -1.462 -11.156 -11.156
  482   2HD2  LEU  27          2HD2      LEU  27  -1.839 -12.784 -12.784
  483   3HD2  LEU  27          1HD2      LEU  27  -2.678 -11.397 -11.397
  484    H    GLU  28           H        GLU  28  -2.471 -11.581 -11.581
  485    HA   GLU  28           HA       GLU  28  -0.571 -13.491 -13.491
  486   1HB   GLU  28          2HB       GLU  28  -0.550 -11.087 -11.087
  487   2HB   GLU  28          1HB       GLU  28  -1.913 -11.408 -11.408
  488   1HG   GLU  28          2HG       GLU  28  -0.625 -12.527 -12.527
  489   2HG   GLU  28          1HG       GLU  28   0.416 -13.226 -13.226
  490    H    GLN  29           H        GLN  29  -3.863 -12.858 -12.858
  491    HA   GLN  29           HA       GLN  29  -3.944 -14.665 -14.665
  492   1HB   GLN  29          2HB       GLN  29  -5.721 -12.959 -12.959
  493   2HB   GLN  29          1HB       GLN  29  -6.281 -14.159 -14.159
  494   1HG   GLN  29          2HG       GLN  29  -6.334 -15.794 -15.794
  495   2HG   GLN  29          1HG       GLN  29  -6.229 -14.352 -14.352
  496   1HE2  GLN  29          2HE2      GLN  29  -9.495 -13.162 -13.162
  497   2HE2  GLN  29          1HE2      GLN  29  -7.951 -12.604 -12.604
  498    H    GLN  30           H        GLN  30  -4.283 -15.186 -15.186
  499    HA   GLN  30           HA       GLN  30  -5.071 -17.968 -17.968
  500   1HB   GLN  30          2HB       GLN  30  -4.349 -16.317 -16.317
  501   2HB   GLN  30          1HB       GLN  30  -4.824 -18.014 -18.014
  502   1HG   GLN  30          2HG       GLN  30  -6.966 -17.442 -17.442
  503   2HG   GLN  30          1HG       GLN  30  -6.497 -15.743 -15.743
  504   1HE2  GLN  30          2HE2      GLN  30  -7.530 -17.513 -17.513
  505   2HE2  GLN  30          1HE2      GLN  30  -7.051 -18.489 -18.489
  506    H    VAL  31           H        VAL  31  -2.196 -16.087 -16.087
  507    HA   VAL  31           HA       VAL  31  -0.541 -18.293 -18.293
  508    HB   VAL  31           HB       VAL  31   0.270 -15.584 -15.584
  509   1HG1  VAL  31          3HG1      VAL  31   1.730 -17.866 -17.866
  510   2HG1  VAL  31          2HG1      VAL  31   2.277 -16.218 -16.218
  511   3HG1  VAL  31          1HG1      VAL  31   2.229 -16.835 -16.835
  512   1HG2  VAL  31          3HG2      VAL  31  -1.179 -16.088 -16.088
  513   2HG2  VAL  31          2HG2      VAL  31  -0.150 -14.681 -14.681
  514   3HG2  VAL  31          1HG2      VAL  31   0.482 -16.089 -16.089
  515    H    ARG  32           H        ARG  32  -1.359 -16.717 -16.717
  516    HA   ARG  32           HA       ARG  32   0.677 -17.849 -17.849
  517   1HB   ARG  32          2HB       ARG  32  -1.138 -15.968 -15.968
  518   2HB   ARG  32          1HB       ARG  32  -2.026 -17.338 -17.338
  519   1HG   ARG  32          2HG       ARG  32   0.847 -17.116 -17.116
  520   2HG   ARG  32          1HG       ARG  32  -0.253 -15.932 -15.932
  521   1HD   ARG  32          2HD       ARG  32  -1.439 -17.529 -17.529
  522   2HD   ARG  32          1HD       ARG  32  -1.089 -18.800 -18.800
  523    HE   ARG  32           HE       ARG  32   1.351 -18.261 -18.261
  524   1HH1  ARG  32          1HH1      ARG  32  -1.791 -19.030 -19.030
  525   2HH1  ARG  32          2HH1      ARG  32  -1.130 -19.807 -19.807
  526   1HH2  ARG  32          1HH2      ARG  32   2.170 -19.282 -19.282
  527   2HH2  ARG  32          2HH2      ARG  32   1.092 -19.949 -19.949
  528    H    ALA  33           H        ALA  33  -2.544 -18.950 -18.950
  529    HA   ALA  33           HA       ALA  33  -2.584 -21.237 -21.237
  530   1HB   ALA  33          2HB       ALA  33  -4.166 -20.415 -20.415
  531   2HB   ALA  33          1HB       ALA  33  -4.377 -22.007 -22.007
  532   3HB   ALA  33          3HB       ALA  33  -4.705 -20.552 -20.552
  533    H    LEU  34           H        LEU  34  -1.568 -20.645 -20.645
  534    HA   LEU  34           HA       LEU  34  -1.013 -23.435 -23.435
  535   1HB   LEU  34          2HB       LEU  34  -0.502 -20.875 -20.875
  536   2HB   LEU  34          1HB       LEU  34   0.138 -22.424 -22.424
  537    HG   LEU  34           HG       LEU  34  -2.750 -22.323 -22.323
  538   1HD1  LEU  34          3HD1      LEU  34  -1.495 -20.907 -20.907
  539   2HD1  LEU  34          2HD1      LEU  34  -3.079 -21.658 -21.658
  540   3HD1  LEU  34          1HD1      LEU  34  -2.839 -20.393 -20.393
  541   1HD2  LEU  34          1HD2      LEU  34  -1.166 -24.264 -24.264
  542   2HD2  LEU  34          3HD2      LEU  34  -2.876 -24.158 -24.158
  543   3HD2  LEU  34          2HD2      LEU  34  -1.649 -23.533 -23.533
  544   1HN   NH2  35          1HT       LEU  34   0.835 -20.647 -20.647
  545   2HN   NH2  35          2HT       LEU  34   2.310 -21.471 -21.471

  Start of MODEL   14
    1   1H    ACE   2          1HA       ACE   2  -1.884  27.746  27.746
    2   2H    ACE   2          2HA       ACE   2  -0.181  28.200  28.200
    3   3H    ACE   2          3HA       ACE   2  -0.917  27.396  27.396
    4    H    CYS   3           H        CYS   3   1.125  26.892  26.892
    5    HA   CYS   3           HA       CYS   3   0.242  24.358  24.358
    6   1HB   CYS   3          2HB       CYS   3   2.788  25.935  25.935
    7   2HB   CYS   3          1HB       CYS   3   2.789  24.238  24.238
    8    H    GLY   4           H        GLY   4   2.520  25.399  25.399
    9   1HA   GLY   4          2HA       GLY   4   3.391  24.281  24.281
   10   2HA   GLY   4          1HA       GLY   4   2.131  23.071  23.071
   11    H    GLY   5           H        GLY   5   3.918  21.617  21.617
   12   1HA   GLY   5          2HA       GLY   5   5.917  21.082  21.082
   13   2HA   GLY   5          1HA       GLY   5   5.925  20.420  20.420
   14    H    VAL   6           H        VAL   6   3.646  20.467  20.467
   15    HA   VAL   6           HA       VAL   6   2.485  17.963  17.963
   16    HB   VAL   6           HB       VAL   6   1.431  19.660  19.660
   17   1HG1  VAL   6          1HG1      VAL   6   3.741  20.058  20.058
   18   2HG1  VAL   6          3HG1      VAL   6   3.202  18.756  18.756
   19   3HG1  VAL   6          2HG1      VAL   6   2.245  20.230  20.230
   20   1HG2  VAL   6          1HG2      VAL   6   1.783  16.807  16.807
   21   2HG2  VAL   6          3HG2      VAL   6   0.304  17.725  17.725
   22   3HG2  VAL   6          2HG2      VAL   6   1.124  17.825  17.825
   23    H    GLN   7           H        GLN   7   5.340  18.877  18.877
   24    HA   GLN   7           HA       GLN   7   5.787  16.522  16.522
   25   1HB   GLN   7          2HB       GLN   7   7.632  18.614  18.614
   26   2HB   GLN   7          1HB       GLN   7   8.267  17.203  17.203
   27   1HG   GLN   7          2HG       GLN   7   6.761  17.761  17.761
   28   2HG   GLN   7          1HG       GLN   7   6.329  19.256  19.256
   29   1HE2  GLN   7          2HE2      GLN   7   9.105  20.859  20.859
   30   2HE2  GLN   7          1HE2      GLN   7   7.455  20.913  20.913
   31    H    ALA   8           H        ALA   8   6.709  17.400  17.400
   32    HA   ALA   8           HA       ALA   8   8.194  15.041  15.041
   33   1HB   ALA   8          2HB       ALA   8   6.905  17.160  17.160
   34   2HB   ALA   8          1HB       ALA   8   7.531  15.695  15.695
   35   3HB   ALA   8          3HB       ALA   8   8.612  16.746  16.746
   36    H    GLU   9           H        GLU   9   4.827  15.976  15.976
   37    HA   GLU   9           HA       GLU   9   4.072  13.561  13.561
   38   1HB   GLU   9          2HB       GLU   9   2.473  15.681  15.681
   39   2HB   GLU   9          1HB       GLU   9   1.726  14.291  14.291
   40   1HG   GLU   9          2HG       GLU   9   2.888  14.940  14.940
   41   2HG   GLU   9          1HG       GLU   9   3.465  16.397  16.397
   42    H    GLU  10           H        GLU  10   4.051  14.629  14.629
   43    HA   GLU  10           HA       GLU  10   2.658  12.351  12.351
   44   1HB   GLU  10          2HB       GLU  10   3.213  14.734  14.734
   45   2HB   GLU  10          1HB       GLU  10   4.578  13.830  13.830
   46   1HG   GLU  10          2HG       GLU  10   3.103  12.203  12.203
   47   2HG   GLU  10          1HG       GLU  10   1.700  12.908  12.908
   48    H    GLN  11           H        GLN  11   6.020  13.136  13.136
   49    HA   GLN  11           HA       GLN  11   7.240  11.065  11.065
   50   1HB   GLN  11          2HB       GLN  11   8.035  12.793  12.793
   51   2HB   GLN  11          1HB       GLN  11   8.981  11.331  11.331
   52   1HG   GLN  11          2HG       GLN  11   9.110  12.064  12.064
   53   2HG   GLN  11          1HG       GLN  11   8.507  13.628  13.628
   54   1HE2  GLN  11          2HE2      GLN  11  12.221  12.435  12.435
   55   2HE2  GLN  11          1HE2      GLN  11  11.051  11.253  11.253
   56    H    LYS  12           H        LYS  12   5.710  11.137  11.137
   57    HA   LYS  12           HA       LYS  12   6.625   8.486   8.486
   58   1HB   LYS  12          2HB       LYS  12   4.517  10.262  10.262
   59   2HB   LYS  12          1HB       LYS  12   5.144   8.768   8.768
   60   1HG   LYS  12          2HG       LYS  12   7.067  10.928  10.928
   61   2HG   LYS  12          1HG       LYS  12   6.187  11.080  11.080
   62   1HD   LYS  12          2HD       LYS  12   6.973   8.548   8.548
   63   2HD   LYS  12          1HD       LYS  12   8.256   9.079   9.079
   64   1HE   LYS  12          2HE       LYS  12   9.190   9.624   9.624
   65   2HE   LYS  12          1HE       LYS  12   8.378  11.138  11.138
   66   1HZ   LYS  12          3HZ       LYS  12   6.418  10.248  10.248
   67   2HZ   LYS  12          2HZ       LYS  12   7.416   8.987   8.987
   68   3HZ   LYS  12          1HZ       LYS  12   7.775  10.598  10.598
   69    H    LEU  13           H        LEU  13   3.786   9.966   9.966
   70    HA   LEU  13           HA       LEU  13   2.099   7.655   7.655
   71   1HB   LEU  13          2HB       LEU  13   1.948  10.251  10.251
   72   2HB   LEU  13          1HB       LEU  13   0.838   8.943   8.943
   73    HG   LEU  13           HG       LEU  13   1.207   9.668   9.668
   74   1HD1  LEU  13          2HD1      LEU  13  -0.378  11.216  11.216
   75   2HD1  LEU  13          1HD1      LEU  13  -0.773  11.257  11.257
   76   3HD1  LEU  13          3HD1      LEU  13   0.796  11.840  11.840
   77   1HD2  LEU  13          2HD2      LEU  13  -1.136   8.712   8.712
   78   2HD2  LEU  13          1HD2      LEU  13  -0.132   7.700   7.700
   79   3HD2  LEU  13          3HD2      LEU  13  -1.162   8.943   8.943
   80    H    ILE  14           H        ILE  14   3.957   9.114   9.114
   81    HA   ILE  14           HA       ILE  14   3.308   7.176   7.176
   82    HB   ILE  14           HB       ILE  14   5.821   8.859   8.859
   83   1HG1  ILE  14          2HG1      ILE  14   3.374   9.461   9.461
   84   2HG1  ILE  14          1HG1      ILE  14   3.487  10.001  10.001
   85   1HG2  ILE  14          1HG2      ILE  14   4.539   7.291   7.291
   86   2HG2  ILE  14          3HG2      ILE  14   5.688   8.596   8.596
   87   3HG2  ILE  14          2HG2      ILE  14   6.191   7.169   7.169
   88   1HD1  ILE  14          2HD1      ILE  14   5.737  10.542  10.542
   89   2HD1  ILE  14          1HD1      ILE  14   4.325  11.600  11.600
   90   3HD1  ILE  14          3HD1      ILE  14   5.321  11.398  11.398
   91    H    SER  15           H        SER  15   6.181   7.502   7.502
   92    HA   SER  15           HA       SER  15   7.491   5.166   5.166
   93   1HB   SER  15          2HB       SER  15   8.784   5.336   5.336
   94   2HB   SER  15          1HB       SER  15   8.526   6.952   6.952
   95    HG   SER  15           HG       SER  15   8.101   6.721   6.721
   96    H    GLU  16           H        GLU  16   4.904   5.677   5.677
   97    HA   GLU  16           HA       GLU  16   5.033   3.085   3.085
   98   1HB   GLU  16          2HB       GLU  16   3.062   5.335   5.335
   99   2HB   GLU  16          1HB       GLU  16   2.533   3.746   3.746
  100   1HG   GLU  16          2HG       GLU  16   5.079   4.979   4.979
  101   2HG   GLU  16          1HG       GLU  16   3.518   5.374   5.374
  102    H    GLU  17           H        GLU  17   3.036   4.534   4.534
  103    HA   GLU  17           HA       GLU  17   1.496   2.198   2.198
  104   1HB   GLU  17          2HB       GLU  17   0.866   4.531   4.531
  105   2HB   GLU  17          1HB       GLU  17   2.116   4.437   4.437
  106   1HG   GLU  17          2HG       GLU  17   0.955   2.247   2.247
  107   2HG   GLU  17          1HG       GLU  17  -0.406   2.800   2.800
  108    H    ASP  18           H        ASP  18   4.520   3.473   3.473
  109    HA   ASP  18           HA       ASP  18   4.817   1.707   1.707
  110   1HB   ASP  18          2HB       ASP  18   6.203   3.803   3.803
  111   2HB   ASP  18          1HB       ASP  18   7.128   2.749   2.749
  112    H    LEU  19           H        LEU  19   5.609   1.416   1.416
  113    HA   LEU  19           HA       LEU  19   7.122  -0.983  -0.983
  114   1HB   LEU  19          2HB       LEU  19   6.811   0.708   0.708
  115   2HB   LEU  19          1HB       LEU  19   5.483  -0.371  -0.371
  116    HG   LEU  19           HG       LEU  19   8.144  -1.562  -1.562
  117   1HD1  LEU  19          3HD1      LEU  19   7.409  -0.375  -0.375
  118   2HD1  LEU  19          2HD1      LEU  19   8.834  -1.359  -1.359
  119   3HD1  LEU  19          1HD1      LEU  19   8.666   0.228   0.228
  120   1HD2  LEU  19          3HD2      LEU  19   5.685  -2.265  -2.265
  121   2HD2  LEU  19          2HD2      LEU  19   6.583  -3.238  -3.238
  122   3HD2  LEU  19          1HD2      LEU  19   7.215  -3.007  -3.007
  123    H    LEU  20           H        LEU  20   3.691  -0.284  -0.284
  124    HA   LEU  20           HA       LEU  20   2.899  -2.994  -2.994
  125   1HB   LEU  20          2HB       LEU  20   1.503  -0.430  -0.430
  126   2HB   LEU  20          1HB       LEU  20   0.628  -1.933  -1.933
  127    HG   LEU  20           HG       LEU  20   2.078  -1.485  -1.485
  128   1HD1  LEU  20          3HD1      LEU  20  -0.731  -0.602  -0.602
  129   2HD1  LEU  20          2HD1      LEU  20  -0.110  -0.687  -0.687
  130   3HD1  LEU  20          1HD1      LEU  20   0.604   0.440   0.440
  131   1HD2  LEU  20          3HD2      LEU  20   1.199  -3.750  -3.750
  132   2HD2  LEU  20          2HD2      LEU  20   0.524  -3.149  -3.149
  133   3HD2  LEU  20          1HD2      LEU  20  -0.424  -3.058  -3.058
  134    H    ARG  21           H        ARG  21   3.372  -1.009  -1.009
  135    HA   ARG  21           HA       ARG  21   2.013  -2.606  -2.606
  136   1HB   ARG  21          2HB       ARG  21   4.334  -0.696  -0.696
  137   2HB   ARG  21          1HB       ARG  21   3.709  -1.566  -1.566
  138   1HG   ARG  21          2HG       ARG  21   1.383  -0.682  -0.682
  139   2HG   ARG  21          1HG       ARG  21   2.337   0.500   0.500
  140   1HD   ARG  21          2HD       ARG  21   3.573   0.807   0.807
  141   2HD   ARG  21          1HD       ARG  21   2.095   0.118   0.118
  142    HE   ARG  21           HE       ARG  21   1.556   2.260   2.260
  143   1HH1  ARG  21          1HH1      ARG  21   2.509   1.527   1.527
  144   2HH1  ARG  21          2HH1      ARG  21   1.899   3.017   3.017
  145   1HH2  ARG  21          1HH2      ARG  21   0.774   4.193   4.193
  146   2HH2  ARG  21          2HH2      ARG  21   0.925   4.516   4.516
  147    H    LYS  22           H        LYS  22   5.363  -2.664  -2.664
  148    HA   LYS  22           HA       LYS  22   6.232  -4.759  -4.759
  149   1HB   LYS  22          2HB       LYS  22   7.320  -3.795  -3.795
  150   2HB   LYS  22          1HB       LYS  22   8.131  -4.964  -4.964
  151   1HG   LYS  22          2HG       LYS  22   7.730  -3.080  -3.080
  152   2HG   LYS  22          1HG       LYS  22   7.699  -2.034  -2.034
  153   1HD   LYS  22          2HD       LYS  22   9.873  -3.490  -3.490
  154   2HD   LYS  22          1HD       LYS  22   9.954  -3.606  -3.606
  155   1HE   LYS  22          2HE       LYS  22  10.297  -1.337  -1.337
  156   2HE   LYS  22          1HE       LYS  22   9.432  -0.920  -0.920
  157   1HZ   LYS  22          2HZ       LYS  22  11.315  -1.996  -1.996
  158   2HZ   LYS  22          1HZ       LYS  22  12.159  -2.051  -2.051
  159   3HZ   LYS  22          3HZ       LYS  22  11.711  -0.556  -0.556
  160    H    ARG  23           H        ARG  23   4.735  -4.654  -4.654
  161    HA   ARG  23           HA       ARG  23   5.169  -7.389  -7.389
  162   1HB   ARG  23          2HB       ARG  23   4.430  -5.377  -5.377
  163   2HB   ARG  23          1HB       ARG  23   2.804  -5.840  -5.840
  164   1HG   ARG  23          2HG       ARG  23   4.720  -7.920  -7.920
  165   2HG   ARG  23          1HG       ARG  23   3.794  -6.927  -6.927
  166   1HD   ARG  23          2HD       ARG  23   1.828  -7.657  -7.657
  167   2HD   ARG  23          1HD       ARG  23   2.875  -9.068  -9.068
  168    HE   ARG  23           HE       ARG  23   1.203  -8.379  -8.379
  169   1HH1  ARG  23          1HH1      ARG  23   4.325  -9.754  -9.754
  170   2HH1  ARG  23          2HH1      ARG  23   4.398 -10.698 -10.698
  171   1HH2  ARG  23          1HH2      ARG  23   1.340  -9.622  -9.622
  172   2HH2  ARG  23          2HH2      ARG  23   2.724 -10.623 -10.623
  173    H    ARG  24           H        ARG  24   2.685  -5.650  -5.650
  174    HA   ARG  24           HA       ARG  24   0.790  -7.782  -7.782
  175   1HB   ARG  24          2HB       ARG  24   0.308  -5.335  -5.335
  176   2HB   ARG  24          1HB       ARG  24   1.098  -5.555  -5.555
  177   1HG   ARG  24          2HG       ARG  24  -0.496  -7.353  -7.353
  178   2HG   ARG  24          1HG       ARG  24  -1.288  -7.138  -7.138
  179   1HD   ARG  24          2HD       ARG  24  -2.142  -5.032  -5.032
  180   2HD   ARG  24          1HD       ARG  24  -0.958  -4.797  -4.797
  181    HE   ARG  24           HE       ARG  24  -3.499  -6.115  -6.115
  182   1HH1  ARG  24          1HH1      ARG  24  -0.220  -6.049  -6.049
  183   2HH1  ARG  24          2HH1      ARG  24  -0.659  -6.715  -6.715
  184   1HH2  ARG  24          1HH2      ARG  24  -4.028  -6.982  -6.982
  185   2HH2  ARG  24          2HH2      ARG  24  -2.795  -7.239  -7.239
  186    H    GLU  25           H        GLU  25   3.392  -6.683  -6.683
  187    HA   GLU  25           HA       GLU  25   2.868  -8.518  -8.518
  188   1HB   GLU  25          2HB       GLU  25   4.439  -6.379  -6.379
  189   2HB   GLU  25          1HB       GLU  25   5.655  -7.593  -7.593
  190   1HG   GLU  25          2HG       GLU  25   5.037  -8.862  -8.862
  191   2HG   GLU  25          1HG       GLU  25   3.873  -7.603  -7.603
  192    H    GLN  26           H        GLN  26   4.797  -8.667  -8.667
  193    HA   GLN  26           HA       GLN  26   6.166 -11.087 -11.087
  194   1HB   GLN  26          2HB       GLN  26   6.679  -9.341  -9.341
  195   2HB   GLN  26          1HB       GLN  26   5.491 -10.230 -10.230
  196   1HG   GLN  26          2HG       GLN  26   7.393 -11.409 -11.409
  197   2HG   GLN  26          1HG       GLN  26   6.909 -12.321 -12.321
  198   1HE2  GLN  26          2HE2      GLN  26  10.486 -10.614 -10.614
  199   2HE2  GLN  26          1HE2      GLN  26   9.592 -10.964 -10.964
  200    H    LEU  27           H        LEU  27   3.094 -10.329 -10.329
  201    HA   LEU  27           HA       LEU  27   2.518 -12.914 -12.914
  202   1HB   LEU  27          2HB       LEU  27   0.772 -10.580 -10.580
  203   2HB   LEU  27          1HB       LEU  27   0.095 -12.094 -12.094
  204    HG   LEU  27           HG       LEU  27   2.222 -10.505 -10.505
  205   1HD1  LEU  27          2HD1      LEU  27  -0.013  -9.320  -9.320
  206   2HD1  LEU  27          1HD1      LEU  27  -0.732 -10.650 -10.650
  207   3HD1  LEU  27          3HD1      LEU  27   0.486  -9.621  -9.621
  208   1HD2  LEU  27          3HD2      LEU  27   0.697 -13.029 -13.029
  209   2HD2  LEU  27          2HD2      LEU  27   2.354 -12.619 -12.619
  210   3HD2  LEU  27          1HD2      LEU  27   1.008 -11.995 -11.995
  211    H    LYS  28           H        LYS  28   1.746 -11.320 -11.320
  212    HA   LYS  28           HA       LYS  28   0.217 -13.448 -13.448
  213   1HB   LYS  28          2HB       LYS  28   0.239 -11.089 -11.089
  214   2HB   LYS  28          1HB       LYS  28   1.839 -11.411 -11.411
  215   1HG   LYS  28          2HG       LYS  28   0.633 -12.039 -12.039
  216   2HG   LYS  28          1HG       LYS  28   0.496 -13.561 -13.561
  217   1HD   LYS  28          2HD       LYS  28  -1.509 -11.491 -11.491
  218   2HD   LYS  28          1HD       LYS  28  -1.650 -12.166 -12.166
  219   1HE   LYS  28          2HE       LYS  28  -2.248 -14.232 -14.232
  220   2HE   LYS  28          1HE       LYS  28  -1.179 -14.137 -14.137
  221   1HZ   LYS  28          2HZ       LYS  28  -2.794 -12.431 -12.431
  222   2HZ   LYS  28          1HZ       LYS  28  -3.864 -12.939 -12.939
  223   3HZ   LYS  28          3HZ       LYS  28  -3.345 -14.038 -14.038
  224    H    HIS  29           H        HIS  29   3.649 -12.705 -12.705
  225    HA   HIS  29           HA       HIS  29   4.500 -14.561 -14.561
  226   1HB   HIS  29          2HB       HIS  29   5.878 -13.330 -13.330
  227   2HB   HIS  29          1HB       HIS  29   6.697 -14.473 -14.473
  228    HD1  HIS  29           HD1      HIS  29   5.607 -13.594 -13.594
  229    HD2  HIS  29           HD2      HIS  29   6.907 -10.903 -10.903
  230    HE1  HIS  29           HE1      HIS  29   6.199 -11.453 -11.453
  231    H    LYS  30           H        LYS  30   3.727 -14.881 -14.881
  232    HA   LYS  30           HA       LYS  30   4.768 -17.571 -17.571
  233   1HB   LYS  30          2HB       LYS  30   4.524 -15.867 -15.867
  234   2HB   LYS  30          1HB       LYS  30   2.813 -16.298 -16.298
  235   1HG   LYS  30          2HG       LYS  30   3.241 -18.526 -18.526
  236   2HG   LYS  30          1HG       LYS  30   4.927 -18.441 -18.441
  237   1HD   LYS  30          2HD       LYS  30   5.067 -16.566 -16.566
  238   2HD   LYS  30          1HD       LYS  30   3.654 -17.402 -17.402
  239   1HE   LYS  30          2HE       LYS  30   5.490 -18.474 -18.474
  240   2HE   LYS  30          1HE       LYS  30   5.042 -19.562 -19.562
  241   1HZ   LYS  30          3HZ       LYS  30   6.750 -18.435 -18.435
  242   2HZ   LYS  30          2HZ       LYS  30   7.246 -17.574 -17.574
  243   3HZ   LYS  30          1HZ       LYS  30   7.390 -19.268 -19.268
  244    H    LEU  31           H        LEU  31   1.628 -16.033 -16.033
  245    HA   LEU  31           HA       LEU  31   0.060 -18.396 -18.396
  246   1HB   LEU  31          2HB       LEU  31  -0.584 -15.795 -15.795
  247   2HB   LEU  31          1HB       LEU  31  -0.867 -16.220 -16.220
  248    HG   LEU  31           HG       LEU  31  -2.014 -17.768 -17.768
  249   1HD1  LEU  31          2HD1      LEU  31  -2.754 -15.241 -15.241
  250   2HD1  LEU  31          1HD1      LEU  31  -3.732 -16.099 -16.099
  251   3HD1  LEU  31          3HD1      LEU  31  -3.907 -16.467 -16.467
  252   1HD2  LEU  31          3HD2      LEU  31  -2.189 -17.920 -17.920
  253   2HD2  LEU  31          2HD2      LEU  31  -2.066 -19.226 -19.226
  254   3HD2  LEU  31          1HD2      LEU  31  -3.597 -18.381 -18.381
  255    H    GLU  32           H        GLU  32   1.424 -16.676 -16.676
  256    HA   GLU  32           HA       GLU  32   0.379 -18.473 -18.473
  257   1HB   GLU  32          2HB       GLU  32   2.011 -17.405 -17.405
  258   2HB   GLU  32          1HB       GLU  32   1.058 -16.223 -16.223
  259   1HG   GLU  32          2HG       GLU  32   3.058 -15.294 -15.294
  260   2HG   GLU  32          1HG       GLU  32   3.198 -16.619 -16.619
  261    H    GLN  33           H        GLN  33   3.286 -18.399 -18.399
  262    HA   GLN  33           HA       GLN  33   4.813 -20.283 -20.283
  263   1HB   GLN  33          2HB       GLN  33   4.855 -19.228 -19.228
  264   2HB   GLN  33          1HB       GLN  33   5.771 -20.693 -20.693
  265   1HG   GLN  33          2HG       GLN  33   6.016 -18.306 -18.306
  266   2HG   GLN  33          1HG       GLN  33   6.930 -18.363 -18.363
  267   1HE2  GLN  33          2HE2      GLN  33   9.263 -20.709 -20.709
  268   2HE2  GLN  33          1HE2      GLN  33   8.777 -19.713 -19.713
  269    H    LEU  34           H        LEU  34   3.302 -20.863 -20.863
  270    HA   LEU  34           HA       LEU  34   2.418 -23.510 -23.510
  271   1HB   LEU  34          2HB       LEU  34   3.789 -22.935 -22.935
  272   2HB   LEU  34          1HB       LEU  34   3.057 -24.477 -24.477
  273    HG   LEU  34           HG       LEU  34   5.097 -23.220 -23.220
  274   1HD1  LEU  34          3HD1      LEU  34   5.548 -24.476 -24.476
  275   2HD1  LEU  34          2HD1      LEU  34   6.646 -24.923 -24.923
  276   3HD1  LEU  34          1HD1      LEU  34   6.485 -23.231 -23.231
  277   1HD2  LEU  34          1HD2      LEU  34   3.834 -25.881 -25.881
  278   2HD2  LEU  34          3HD2      LEU  34   4.287 -25.104 -25.104
  279   3HD2  LEU  34          2HD2      LEU  34   5.520 -25.878 -25.878
  280   1HN   NH2  35          1HT       LEU  34   0.840 -21.045 -21.045
  281   2HN   NH2  35          2HT       LEU  34  -0.302 -21.383 -21.383
  282   1H    ACE   2          1HA       ACE   2  -1.891  27.829  27.829
  283   2H    ACE   2          2HA       ACE   2  -0.487  28.177  28.177
  284   3H    ACE   2          3HA       ACE   2  -0.311  28.073  28.073
  285    H    CYS   3           H        CYS   3  -0.791  25.954  25.954
  286    HA   CYS   3           HA       CYS   3   0.570  23.849  23.849
  287   1HB   CYS   3          2HB       CYS   3  -0.818  24.082  24.082
  288   2HB   CYS   3          1HB       CYS   3  -0.336  22.500  22.500
  289    H    GLY   4           H        GLY   4  -2.796  24.600  24.600
  290   1HA   GLY   4          2HA       GLY   4  -4.522  23.915  23.915
  291   2HA   GLY   4          1HA       GLY   4  -3.606  22.439  22.439
  292    H    GLY   5           H        GLY   5  -4.009  20.677  20.677
  293   1HA   GLY   5          2HA       GLY   5  -5.823  21.004  21.004
  294   2HA   GLY   5          1HA       GLY   5  -5.984  19.683  19.683
  295    H    MET   6           H        MET   6  -4.279  20.898  20.898
  296    HA   MET   6           HA       MET   6  -2.142  18.995  18.995
  297   1HB   MET   6          2HB       MET   6  -2.258  21.211  21.211
  298   2HB   MET   6          1HB       MET   6  -3.272  20.351  20.351
  299   1HG   MET   6          2HG       MET   6  -1.474  18.644  18.644
  300   2HG   MET   6          1HG       MET   6  -0.453  19.596  19.596
  301   1HE   MET   6          2HE       MET   6  -2.195  19.103  19.103
  302   2HE   MET   6          1HE       MET   6  -1.767  20.435  20.435
  303   3HE   MET   6          3HE       MET   6  -2.970  20.671  20.671
  304    H    ARG   7           H        ARG   7  -4.963  19.279  19.279
  305    HA   ARG   7           HA       ARG   7  -4.722  16.701  16.701
  306   1HB   ARG   7          2HB       ARG   7  -7.139  17.013  17.013
  307   2HB   ARG   7          1HB       ARG   7  -6.068  18.323  18.323
  308   1HG   ARG   7          2HG       ARG   7  -6.933  19.808  19.808
  309   2HG   ARG   7          1HG       ARG   7  -7.428  18.524  18.524
  310   1HD   ARG   7          2HD       ARG   7  -8.743  18.574  18.574
  311   2HD   ARG   7          1HD       ARG   7  -9.182  19.857  19.857
  312    HE   ARG   7           HE       ARG   7  -9.264  17.235  17.235
  313   1HH1  ARG   7          1HH1      ARG   7 -11.039  19.557  19.557
  314   2HH1  ARG   7          2HH1      ARG   7 -12.583  18.922  18.922
  315   1HH2  ARG   7          1HH2      ARG   7 -11.298  16.441  16.441
  316   2HH2  ARG   7          2HH2      ARG   7 -12.731  17.176  17.176
  317    H    ARG   8           H        ARG   8  -6.206  17.837  17.837
  318    HA   ARG   8           HA       ARG   8  -7.842  15.574  15.574
  319   1HB   ARG   8          2HB       ARG   8  -7.465  18.014  18.014
  320   2HB   ARG   8          1HB       ARG   8  -6.715  16.913  16.913
  321   1HG   ARG   8          2HG       ARG   8  -9.482  16.488  16.488
  322   2HG   ARG   8          1HG       ARG   8  -9.184  17.294  17.294
  323   1HD   ARG   8          2HD       ARG   8  -8.092  14.544  14.544
  324   2HD   ARG   8          1HD       ARG   8  -9.699  14.775  14.775
  325    HE   ARG   8           HE       ARG   8  -7.648  16.174  16.174
  326   1HH1  ARG   8          1HH1      ARG   8  -9.245  13.091  13.091
  327   2HH1  ARG   8          2HH1      ARG   8  -8.876  12.542  12.542
  328   1HH2  ARG   8          1HH2      ARG   8  -7.189  15.418  15.418
  329   2HH2  ARG   8          2HH2      ARG   8  -7.723  13.846  13.846
  330    H    LYS   9           H        LYS   9  -4.601  16.474  16.474
  331    HA   LYS   9           HA       LYS   9  -4.131  14.102  14.102
  332   1HB   LYS   9          2HB       LYS   9  -2.264  16.129  16.129
  333   2HB   LYS   9          1HB       LYS   9  -1.682  14.750  14.750
  334   1HG   LYS   9          2HG       LYS   9  -3.860  16.373  16.373
  335   2HG   LYS   9          1HG       LYS   9  -2.262  17.118  17.118
  336   1HD   LYS   9          2HD       LYS   9  -1.549  14.674  14.674
  337   2HD   LYS   9          1HD       LYS   9  -3.176  14.758  14.758
  338   1HE   LYS   9          2HE       LYS   9  -2.005  15.793  15.793
  339   2HE   LYS   9          1HE       LYS   9  -2.364  17.200  17.200
  340   1HZ   LYS   9          1HZ       LYS   9  -0.162  16.580  16.580
  341   2HZ   LYS   9          3HZ       LYS   9   0.160  15.707  15.707
  342   3HZ   LYS   9          2HZ       LYS   9  -0.108  17.383  17.383
  343    H    ASN  10           H        ASN  10  -3.571  14.983  14.983
  344    HA   ASN  10           HA       ASN  10  -2.047  12.664  12.664
  345   1HB   ASN  10          2HB       ASN  10  -3.737  14.343  14.343
  346   2HB   ASN  10          1HB       ASN  10  -2.365  13.323  13.323
  347   1HD2  ASN  10          2HD2      ASN  10  -0.172  15.708  15.708
  348   2HD2  ASN  10          1HD2      ASN  10  -0.611  14.088  14.088
  349    H    ASP  11           H        ASP  11  -5.475  13.462  13.462
  350    HA   ASP  11           HA       ASP  11  -6.415  11.236  11.236
  351   1HB   ASP  11          2HB       ASP  11  -7.734  13.308  13.308
  352   2HB   ASP  11          1HB       ASP  11  -7.905  12.550  12.550
  353    H    THR  12           H        THR  12  -5.880  11.726  11.726
  354    HA   THR  12           HA       THR  12  -6.864   9.228   9.228
  355    HB   THR  12           HB       THR  12  -5.135   9.681   9.681
  356    HG1  THR  12           HG1      THR  12  -3.870  11.219  11.219
  357   1HG2  THR  12          1HG2      THR  12  -7.609  11.221  11.221
  358   2HG2  THR  12          3HG2      THR  12  -6.726  11.629  11.629
  359   3HG2  THR  12          2HG2      THR  12  -7.387  10.007  10.007
  360    H    HIS  13           H        HIS  13  -3.768  10.232  10.232
  361    HA   HIS  13           HA       HIS  13  -2.272   7.934   7.934
  362   1HB   HIS  13          2HB       HIS  13  -1.961  10.133  10.133
  363   2HB   HIS  13          1HB       HIS  13  -0.975   8.685   8.685
  364    HD1  HIS  13           HD1      HIS  13  -0.192   7.926   7.926
  365    HD2  HIS  13           HD2      HIS  13  -0.380  11.918  11.918
  366    HE1  HIS  13           HE1      HIS  13   1.282   9.219   9.219
  367    H    GLN  14           H        GLN  14  -4.228   8.754   8.754
  368    HA   GLN  14           HA       GLN  14  -3.598   6.436   6.436
  369   1HB   GLN  14          2HB       GLN  14  -4.854   8.709   8.709
  370   2HB   GLN  14          1HB       GLN  14  -6.273   7.711   7.711
  371   1HG   GLN  14          2HG       GLN  14  -5.237   5.957   5.957
  372   2HG   GLN  14          1HG       GLN  14  -4.075   7.192   7.192
  373   1HE2  GLN  14          2HE2      GLN  14  -6.399   8.141   8.141
  374   2HE2  GLN  14          1HE2      GLN  14  -4.853   7.523   7.523
  375    H    GLN  15           H        GLN  15  -6.069   7.178   7.178
  376    HA   GLN  15           HA       GLN  15  -7.694   4.900   4.900
  377   1HB   GLN  15          2HB       GLN  15  -7.932   7.079   7.079
  378   2HB   GLN  15          1HB       GLN  15  -7.324   5.953   5.953
  379   1HG   GLN  15          2HG       GLN  15  -9.207   4.642   4.642
  380   2HG   GLN  15          1HG       GLN  15  -9.479   4.942   4.942
  381   1HE2  GLN  15          2HE2      GLN  15 -11.350   7.949   7.949
  382   2HE2  GLN  15          1HE2      GLN  15 -10.363   7.160   7.160
  383    H    ASP  16           H        ASP  16  -4.928   5.482   5.482
  384    HA   ASP  16           HA       ASP  16  -4.944   2.966   2.966
  385   1HB   ASP  16          2HB       ASP  16  -3.522   5.190   5.190
  386   2HB   ASP  16          1HB       ASP  16  -2.332   4.297   4.297
  387    H    ILE  17           H        ILE  17  -3.435   4.109   4.109
  388    HA   ILE  17           HA       ILE  17  -1.872   1.824   1.824
  389    HB   ILE  17           HB       ILE  17  -3.012   4.060   4.060
  390   1HG1  ILE  17          2HG1      ILE  17  -0.168   3.116   3.116
  391   2HG1  ILE  17          1HG1      ILE  17  -0.966   4.302   4.302
  392   1HG2  ILE  17          2HG2      ILE  17  -1.846   1.481   1.481
  393   2HG2  ILE  17          1HG2      ILE  17  -1.441   2.978   2.978
  394   3HG2  ILE  17          3HG2      ILE  17  -3.126   2.474   2.474
  395   1HD1  ILE  17          2HD1      ILE  17  -0.977   4.715   4.715
  396   2HD1  ILE  17          1HD1      ILE  17   0.478   5.108   5.108
  397   3HD1  ILE  17          3HD1      ILE  17  -1.045   5.913   5.913
  398    H    ASP  18           H        ASP  18  -4.735   2.774   2.774
  399    HA   ASP  18           HA       ASP  18  -5.298   0.417   0.417
  400   1HB   ASP  18          2HB       ASP  18  -6.910   2.767   2.767
  401   2HB   ASP  18          1HB       ASP  18  -7.837   1.310   1.310
  402    H    ASP  19           H        ASP  19  -5.961   1.237   1.237
  403    HA   ASP  19           HA       ASP  19  -7.757  -0.942  -0.942
  404   1HB   ASP  19          2HB       ASP  19  -7.585   1.166   1.166
  405   2HB   ASP  19          1HB       ASP  19  -6.064   0.536   0.536
  406    H    LEU  20           H        LEU  20  -4.288  -0.387  -0.387
  407    HA   LEU  20           HA       LEU  20  -3.681  -2.801  -2.801
  408   1HB   LEU  20          2HB       LEU  20  -2.042  -0.925  -0.925
  409   2HB   LEU  20          1HB       LEU  20  -1.352  -2.390  -2.390
  410    HG   LEU  20           HG       LEU  20  -2.855  -0.386  -0.386
  411   1HD1  LEU  20          2HD1      LEU  20  -0.756   0.492   0.492
  412   2HD1  LEU  20          1HD1      LEU  20   0.145  -0.455  -0.455
  413   3HD1  LEU  20          3HD1      LEU  20  -0.915   0.849   0.849
  414   1HD2  LEU  20          3HD2      LEU  20  -0.938  -2.671  -2.671
  415   2HD2  LEU  20          2HD2      LEU  20  -2.569  -2.459  -2.459
  416   3HD2  LEU  20          1HD2      LEU  20  -1.254  -1.449  -1.449
  417    H    LYS  21           H        LYS  21  -3.868  -1.934  -1.934
  418    HA   LYS  21           HA       LYS  21  -2.836  -4.367  -4.367
  419   1HB   LYS  21          2HB       LYS  21  -4.479  -2.125  -2.125
  420   2HB   LYS  21          1HB       LYS  21  -4.302  -3.614  -3.614
  421   1HG   LYS  21          2HG       LYS  21  -1.993  -3.357  -3.357
  422   2HG   LYS  21          1HG       LYS  21  -1.868  -2.313  -2.313
  423   1HD   LYS  21          2HD       LYS  21  -2.476  -0.429  -0.429
  424   2HD   LYS  21          1HD       LYS  21  -3.547  -1.316  -1.316
  425   1HE   LYS  21          2HE       LYS  21  -0.580  -1.761  -1.761
  426   2HE   LYS  21          1HE       LYS  21  -1.293  -0.351  -0.351
  427   1HZ   LYS  21          1HZ       LYS  21  -2.879  -1.934  -1.934
  428   2HZ   LYS  21          3HZ       LYS  21  -1.922  -3.205  -3.205
  429   3HZ   LYS  21          2HZ       LYS  21  -1.264  -2.083  -2.083
  430    H    ARG  22           H        ARG  22  -6.021  -3.344  -3.344
  431    HA   ARG  22           HA       ARG  22  -7.548  -5.418  -5.418
  432   1HB   ARG  22          2HB       ARG  22  -8.447  -3.324  -3.324
  433   2HB   ARG  22          1HB       ARG  22  -8.116  -4.095  -4.095
  434   1HG   ARG  22          2HG       ARG  22  -9.621  -5.910  -5.910
  435   2HG   ARG  22          1HG       ARG  22  -9.814  -5.368  -5.368
  436   1HD   ARG  22          2HD       ARG  22 -10.979  -3.387  -3.387
  437   2HD   ARG  22          1HD       ARG  22 -10.578  -3.671  -3.671
  438    HE   ARG  22           HE       ARG  22 -12.367  -5.141  -5.141
  439   1HH1  ARG  22          1HH1      ARG  22 -11.556  -4.566  -4.566
  440   2HH1  ARG  22          2HH1      ARG  22 -12.934  -5.424  -5.424
  441   1HH2  ARG  22          1HH2      ARG  22 -14.150  -6.250  -6.250
  442   2HH2  ARG  22          2HH2      ARG  22 -14.391  -6.369  -6.369
  443    H    GLN  23           H        GLN  23  -6.134  -5.124  -5.124
  444    HA   GLN  23           HA       GLN  23  -6.893  -7.730  -7.730
  445   1HB   GLN  23          2HB       GLN  23  -5.059  -5.607  -5.607
  446   2HB   GLN  23          1HB       GLN  23  -4.811  -7.246  -7.246
  447   1HG   GLN  23          2HG       GLN  23  -7.583  -6.086  -6.086
  448   2HG   GLN  23          1HG       GLN  23  -6.482  -5.660  -5.660
  449   1HE2  GLN  23          1HE2      GLN  23  -5.179  -7.918  -7.918
  450   2HE2  GLN  23          2HE2      GLN  23  -6.246  -9.183  -9.183
  451    H    ASN  24           H        ASN  24  -3.893  -6.399  -6.399
  452    HA   ASN  24           HA       ASN  24  -2.380  -8.793  -8.793
  453   1HB   ASN  24          2HB       ASN  24  -2.089  -6.482  -6.482
  454   2HB   ASN  24          1HB       ASN  24  -0.871  -7.714  -7.714
  455   1HD2  ASN  24          2HD2      ASN  24   0.310  -5.254  -5.254
  456   2HD2  ASN  24          1HD2      ASN  24   0.529  -5.869  -5.869
  457    H    ALA  25           H        ALA  25  -4.615  -7.500  -7.500
  458    HA   ALA  25           HA       ALA  25  -4.000  -9.220  -9.220
  459   1HB   ALA  25          3HB       ALA  25  -6.390  -7.605  -7.605
  460   2HB   ALA  25          2HB       ALA  25  -6.563  -8.803  -8.803
  461   3HB   ALA  25          1HB       ALA  25  -5.392  -7.496  -7.496
  462    H    LEU  26           H        LEU  26  -6.606  -9.465  -9.465
  463    HA   LEU  26           HA       LEU  26  -7.490 -12.032 -12.032
  464   1HB   LEU  26          2HB       LEU  26  -7.830 -10.319 -10.319
  465   2HB   LEU  26          1HB       LEU  26  -8.247 -12.027 -12.027
  466    HG   LEU  26           HG       LEU  26  -9.491 -11.554 -11.554
  467   1HD1  LEU  26          2HD1      LEU  26  -9.098  -8.851  -8.851
  468   2HD1  LEU  26          1HD1      LEU  26 -10.544  -9.185  -9.185
  469   3HD1  LEU  26          3HD1      LEU  26  -8.949  -9.308  -9.308
  470   1HD2  LEU  26          3HD2      LEU  26 -10.429 -10.835 -10.835
  471   2HD2  LEU  26          2HD2      LEU  26 -10.700 -12.340 -12.340
  472   3HD2  LEU  26          1HD2      LEU  26 -11.521 -10.864 -10.864
  473    H    LEU  27           H        LEU  27  -4.942 -10.950 -10.950
  474    HA   LEU  27           HA       LEU  27  -4.455 -13.362 -13.362
  475   1HB   LEU  27          2HB       LEU  27  -2.750 -10.981 -10.981
  476   2HB   LEU  27          1HB       LEU  27  -2.045 -12.392 -12.392
  477    HG   LEU  27           HG       LEU  27  -4.567 -11.151 -11.151
  478   1HD1  LEU  27          2HD1      LEU  27  -1.714 -10.231 -10.231
  479   2HD1  LEU  27          1HD1      LEU  27  -2.967  -9.921  -9.921
  480   3HD1  LEU  27          3HD1      LEU  27  -3.124  -9.261  -9.261
  481   1HD2  LEU  27          2HD2      LEU  27  -3.678 -13.405 -13.405
  482   2HD2  LEU  27          1HD2      LEU  27  -3.854 -12.211 -12.211
  483   3HD2  LEU  27          3HD2      LEU  27  -2.260 -12.557 -12.557
  484    H    GLU  28           H        GLU  28  -2.579 -12.002 -12.002
  485    HA   GLU  28           HA       GLU  28  -1.092 -14.317 -14.317
  486   1HB   GLU  28          2HB       GLU  28  -0.596 -12.029 -12.029
  487   2HB   GLU  28          1HB       GLU  28  -1.954 -12.211 -12.211
  488   1HG   GLU  28          2HG       GLU  28  -0.339 -13.036 -13.036
  489   2HG   GLU  28          1HG       GLU  28  -0.646 -14.527 -14.527
  490    H    GLN  29           H        GLN  29  -4.159 -13.167 -13.167
  491    HA   GLN  29           HA       GLN  29  -4.549 -15.116 -15.116
  492   1HB   GLN  29          2HB       GLN  29  -5.970 -13.020 -13.020
  493   2HB   GLN  29          1HB       GLN  29  -6.829 -14.081 -14.081
  494   1HG   GLN  29          2HG       GLN  29  -7.278 -15.658 -15.658
  495   2HG   GLN  29          1HG       GLN  29  -6.452 -14.568 -14.568
  496   1HE2  GLN  29          2HE2      GLN  29 -10.307 -13.939 -13.939
  497   2HE2  GLN  29          1HE2      GLN  29  -9.503 -15.407 -15.407
  498    H    GLN  30           H        GLN  30  -5.010 -15.266 -15.266
  499    HA   GLN  30           HA       GLN  30  -6.325 -17.866 -17.866
  500   1HB   GLN  30          2HB       GLN  30  -6.779 -16.020 -16.020
  501   2HB   GLN  30          1HB       GLN  30  -5.279 -16.568 -16.568
  502   1HG   GLN  30          2HG       GLN  30  -6.847 -17.912 -17.912
  503   2HG   GLN  30          1HG       GLN  30  -6.359 -18.954 -18.954
  504   1HE2  GLN  30          2HE2      GLN  30  -9.966 -17.009 -17.009
  505   2HE2  GLN  30          1HE2      GLN  30  -8.681 -16.202 -16.202
  506    H    VAL  31           H        VAL  31  -3.190 -16.475 -16.475
  507    HA   VAL  31           HA       VAL  31  -1.997 -18.845 -18.845
  508    HB   VAL  31           HB       VAL  31  -0.648 -16.484 -16.484
  509   1HG1  VAL  31          3HG1      VAL  31   0.711 -18.590 -18.590
  510   2HG1  VAL  31          2HG1      VAL  31   0.420 -18.408 -18.408
  511   3HG1  VAL  31          1HG1      VAL  31   1.322 -17.172 -17.172
  512   1HG2  VAL  31          1HG2      VAL  31  -2.255 -16.438 -16.438
  513   2HG2  VAL  31          3HG2      VAL  31  -1.002 -15.262 -15.262
  514   3HG2  VAL  31          2HG2      VAL  31  -0.633 -16.624 -16.624
  515    H    ARG  32           H        ARG  32  -2.408 -17.504 -17.504
  516    HA   ARG  32           HA       ARG  32  -0.563 -19.122 -19.122
  517   1HB   ARG  32          2HB       ARG  32  -2.060 -17.078 -17.078
  518   2HB   ARG  32          1HB       ARG  32  -3.151 -18.368 -18.368
  519   1HG   ARG  32          2HG       ARG  32  -0.232 -18.514 -18.514
  520   2HG   ARG  32          1HG       ARG  32  -1.322 -17.518 -17.518
  521   1HD   ARG  32          2HD       ARG  32  -2.821 -19.721 -19.721
  522   2HD   ARG  32          1HD       ARG  32  -1.253 -20.486 -20.486
  523    HE   ARG  32           HE       ARG  32  -2.234 -19.286 -19.286
  524   1HH1  ARG  32          1HH1      ARG  32   0.628 -20.114 -20.114
  525   2HH1  ARG  32          2HH1      ARG  32   1.644 -20.182 -20.182
  526   1HH2  ARG  32          1HH2      ARG  32  -0.873 -19.388 -19.388
  527   2HH2  ARG  32          2HH2      ARG  32   0.804 -19.775 -19.775
  528    H    ALA  33           H        ALA  33  -3.836 -19.693 -19.693
  529    HA   ALA  33           HA       ALA  33  -4.362 -22.040 -22.040
  530   1HB   ALA  33          2HB       ALA  33  -5.451 -21.060 -21.060
  531   2HB   ALA  33          1HB       ALA  33  -6.039 -22.510 -22.510
  532   3HB   ALA  33          3HB       ALA  33  -6.210 -20.937 -20.937
  533    H    LEU  34           H        LEU  34  -2.840 -21.468 -21.468
  534    HA   LEU  34           HA       LEU  34  -2.473 -24.324 -24.324
  535   1HB   LEU  34          2HB       LEU  34  -2.072 -21.829 -21.829
  536   2HB   LEU  34          1HB       LEU  34  -1.022 -23.189 -23.189
  537    HG   LEU  34           HG       LEU  34  -3.070 -23.208 -23.208
  538   1HD1  LEU  34          1HD1      LEU  34  -1.901 -25.331 -25.331
  539   2HD1  LEU  34          3HD1      LEU  34  -3.467 -25.488 -25.488
  540   3HD1  LEU  34          2HD1      LEU  34  -3.366 -25.494 -25.494
  541   1HD2  LEU  34          3HD2      LEU  34  -4.412 -22.174 -22.174
  542   2HD2  LEU  34          2HD2      LEU  34  -5.230 -23.231 -23.231
  543   3HD2  LEU  34          1HD2      LEU  34  -4.699 -23.866 -23.866
  544   1HN   NH2  35          1HT       LEU  34  -0.025 -24.793 -24.793
  545   2HN   NH2  35          2HT       LEU  34   1.179 -24.324 -24.324

  Start of MODEL   15
    1   1H    ACE   2          1HA       ACE   2  -0.037  27.148  27.148
    2   2H    ACE   2          2HA       ACE   2  -1.168  26.177  26.177
    3   3H    ACE   2          3HA       ACE   2  -1.406  26.372  26.372
    4    H    CYS   3           H        CYS   3  -0.036  25.264  25.264
    5    HA   CYS   3           HA       CYS   3   0.739  22.668  22.668
    6   1HB   CYS   3          2HB       CYS   3   1.829  22.546  22.546
    7   2HB   CYS   3          1HB       CYS   3   0.158  23.106  23.106
    8    H    GLY   4           H        GLY   4   2.666  21.780  21.780
    9   1HA   GLY   4          2HA       GLY   4   5.138  23.298  23.298
   10   2HA   GLY   4          1HA       GLY   4   4.560  23.021  23.021
   11    H    GLY   5           H        GLY   5   4.517  20.966  20.966
   12   1HA   GLY   5          2HA       GLY   5   6.560  19.269  19.269
   13   2HA   GLY   5          1HA       GLY   5   5.526  18.720  18.720
   14    H    VAL   6           H        VAL   6   4.758  19.907  19.907
   15    HA   VAL   6           HA       VAL   6   2.950  17.643  17.643
   16    HB   VAL   6           HB       VAL   6   3.538  19.931  19.931
   17   1HG1  VAL   6          1HG1      VAL   6   2.438  17.861  17.861
   18   2HG1  VAL   6          3HG1      VAL   6   1.127  18.108  18.108
   19   3HG1  VAL   6          2HG1      VAL   6   1.432  19.305  19.305
   20   1HG2  VAL   6          1HG2      VAL   6   1.388  19.645  19.645
   21   2HG2  VAL   6          3HG2      VAL   6   2.730  20.790  20.790
   22   3HG2  VAL   6          2HG2      VAL   6   1.471  20.944  20.944
   23    H    GLN   7           H        GLN   7   5.983  18.916  18.916
   24    HA   GLN   7           HA       GLN   7   6.259  17.236  17.236
   25   1HB   GLN   7          2HB       GLN   7   7.699  19.294  19.294
   26   2HB   GLN   7          1HB       GLN   7   8.678  18.003  18.003
   27   1HG   GLN   7          2HG       GLN   7   9.656  18.125  18.125
   28   2HG   GLN   7          1HG       GLN   7   8.379  16.959  16.959
   29   1HE2  GLN   7          2HE2      GLN   7   8.270  20.635  20.635
   30   2HE2  GLN   7          1HE2      GLN   7   9.510  20.207  20.207
   31    H    ALA   8           H        ALA   8   6.986  16.780  16.780
   32    HA   ALA   8           HA       ALA   8   8.313  14.238  14.238
   33   1HB   ALA   8          3HB       ALA   8   8.762  15.902  15.902
   34   2HB   ALA   8          2HB       ALA   8   7.299  15.242  15.242
   35   3HB   ALA   8          1HB       ALA   8   8.674  14.186  14.186
   36    H    GLU   9           H        GLU   9   5.228  15.362  15.362
   37    HA   GLU   9           HA       GLU   9   4.201  12.789  12.789
   38   1HB   GLU   9          2HB       GLU   9   3.302  14.969  14.969
   39   2HB   GLU   9          1HB       GLU   9   2.589  15.250  15.250
   40   1HG   GLU   9          2HG       GLU   9   1.175  13.339  13.339
   41   2HG   GLU   9          1HG       GLU   9   2.069  12.722  12.722
   42    H    GLU  10           H        GLU  10   4.167  14.775  14.775
   43    HA   GLU  10           HA       GLU  10   2.285  13.119  13.119
   44   1HB   GLU  10          2HB       GLU  10   2.694  15.554  15.554
   45   2HB   GLU  10          1HB       GLU  10   4.261  15.090  15.090
   46   1HG   GLU  10          2HG       GLU  10   2.941  13.419  13.419
   47   2HG   GLU  10          1HG       GLU  10   1.512  14.345  14.345
   48    H    GLN  11           H        GLN  11   5.809  13.536  13.536
   49    HA   GLN  11           HA       GLN  11   6.384  11.693  11.693
   50   1HB   GLN  11          2HB       GLN  11   8.003  13.359  13.359
   51   2HB   GLN  11          1HB       GLN  11   8.141  12.314  12.314
   52   1HG   GLN  11          2HG       GLN  11   8.658  10.436  10.436
   53   2HG   GLN  11          1HG       GLN  11   9.006  11.777  11.777
   54   1HE2  GLN  11          2HE2      GLN  11  11.514  11.043  11.043
   55   2HE2  GLN  11          1HE2      GLN  11   9.986  10.307  10.307
   56    H    LYS  12           H        LYS  12   5.819  11.303  11.303
   57    HA   LYS  12           HA       LYS  12   6.714   8.603   8.603
   58   1HB   LYS  12          2HB       LYS  12   6.177  10.360  10.360
   59   2HB   LYS  12          1HB       LYS  12   4.552   9.684   9.684
   60   1HG   LYS  12          2HG       LYS  12   5.232   7.573   7.573
   61   2HG   LYS  12          1HG       LYS  12   6.897   7.821   7.821
   62   1HD   LYS  12          2HD       LYS  12   7.237   8.136   8.136
   63   2HD   LYS  12          1HD       LYS  12   6.729   9.778   9.778
   64   1HE   LYS  12          2HE       LYS  12   4.626   9.501   9.501
   65   2HE   LYS  12          1HE       LYS  12   4.611   7.762   7.762
   66   1HZ   LYS  12          2HZ       LYS  12   6.277   9.156   9.156
   67   2HZ   LYS  12          1HZ       LYS  12   4.868   8.265   8.265
   68   3HZ   LYS  12          3HZ       LYS  12   6.246   7.481   7.481
   69    H    LEU  13           H        LEU  13   3.615  10.125  10.125
   70    HA   LEU  13           HA       LEU  13   2.007   7.802   7.802
   71   1HB   LEU  13          2HB       LEU  13   1.754  10.510  10.510
   72   2HB   LEU  13          1HB       LEU  13   0.681   9.248   9.248
   73    HG   LEU  13           HG       LEU  13   1.038   9.767   9.767
   74   1HD1  LEU  13          1HD1      LEU  13   0.095  11.702  11.702
   75   2HD1  LEU  13          3HD1      LEU  13  -1.379  10.748  10.748
   76   3HD1  LEU  13          2HD1      LEU  13  -0.586  11.397  11.397
   77   1HD2  LEU  13          2HD2      LEU  13  -0.057   7.645   7.645
   78   2HD2  LEU  13          1HD2      LEU  13  -0.693   8.274   8.274
   79   3HD2  LEU  13          3HD2      LEU  13  -1.457   8.718   8.718
   80    H    ILE  14           H        ILE  14   3.895   9.276   9.276
   81    HA   ILE  14           HA       ILE  14   3.007   7.540   7.540
   82    HB   ILE  14           HB       ILE  14   5.646   9.016   9.016
   83   1HG1  ILE  14          2HG1      ILE  14   3.039   9.894   9.894
   84   2HG1  ILE  14          1HG1      ILE  14   3.609  10.460  10.460
   85   1HG2  ILE  14          2HG2      ILE  14   4.226   7.501   7.501
   86   2HG2  ILE  14          1HG2      ILE  14   5.051   8.986   8.986
   87   3HG2  ILE  14          3HG2      ILE  14   5.957   7.679   7.679
   88   1HD1  ILE  14          3HD1      ILE  14   5.793  11.080  11.080
   89   2HD1  ILE  14          2HD1      ILE  14   4.783  10.966  10.966
   90   3HD1  ILE  14          1HD1      ILE  14   4.386  12.127  12.127
   91    H    SER  15           H        SER  15   6.065   7.594   7.594
   92    HA   SER  15           HA       SER  15   7.064   5.158   5.158
   93   1HB   SER  15          2HB       SER  15   7.593   6.439   6.439
   94   2HB   SER  15          1HB       SER  15   8.574   5.187   5.187
   95    HG   SER  15           HG       SER  15   9.014   7.644   7.644
   96    H    GLU  16           H        GLU  16   4.810   5.884   5.884
   97    HA   GLU  16           HA       GLU  16   4.880   3.426   3.426
   98   1HB   GLU  16          2HB       GLU  16   2.901   5.644   5.644
   99   2HB   GLU  16          1HB       GLU  16   2.345   4.113   4.113
  100   1HG   GLU  16          2HG       GLU  16   4.862   5.448   5.448
  101   2HG   GLU  16          1HG       GLU  16   3.279   5.863   5.863
  102    H    GLU  17           H        GLU  17   2.535   4.543   4.543
  103    HA   GLU  17           HA       GLU  17   1.244   2.058   2.058
  104   1HB   GLU  17          2HB       GLU  17   0.419   2.991   2.991
  105   2HB   GLU  17          1HB       GLU  17   0.206   4.103   4.103
  106   1HG   GLU  17          2HG       GLU  17   2.161   5.373   5.373
  107   2HG   GLU  17          1HG       GLU  17   2.570   4.188   4.188
  108    H    ASP  18           H        ASP  18   4.145   3.401   3.401
  109    HA   ASP  18           HA       ASP  18   4.423   1.575   1.575
  110   1HB   ASP  18          2HB       ASP  18   5.744   3.786   3.786
  111   2HB   ASP  18          1HB       ASP  18   6.829   2.664   2.664
  112    H    LEU  19           H        LEU  19   5.315   1.458   1.458
  113    HA   LEU  19           HA       LEU  19   6.964  -0.857  -0.857
  114   1HB   LEU  19          2HB       LEU  19   5.505   0.567   0.567
  115   2HB   LEU  19          1HB       LEU  19   6.214  -1.019  -1.019
  116    HG   LEU  19           HG       LEU  19   7.827   1.163   1.163
  117   1HD1  LEU  19          1HD1      LEU  19   6.914   2.058   2.058
  118   2HD1  LEU  19          3HD1      LEU  19   7.564   0.653   0.653
  119   3HD1  LEU  19          2HD1      LEU  19   8.658   1.807   1.807
  120   1HD2  LEU  19          1HD2      LEU  19   8.385  -1.390  -1.390
  121   2HD2  LEU  19          3HD2      LEU  19   8.875  -0.966  -0.966
  122   3HD2  LEU  19          2HD2      LEU  19   9.637  -0.175  -0.175
  123    H    LEU  20           H        LEU  20   3.516  -0.362  -0.362
  124    HA   LEU  20           HA       LEU  20   2.879  -3.060  -3.060
  125   1HB   LEU  20          2HB       LEU  20   1.341  -0.622  -0.622
  126   2HB   LEU  20          1HB       LEU  20   0.544  -2.182  -2.182
  127    HG   LEU  20           HG       LEU  20   1.967  -1.481  -1.481
  128   1HD1  LEU  20          2HD1      LEU  20   0.107   0.195   0.195
  129   2HD1  LEU  20          1HD1      LEU  20  -0.998  -1.130  -1.130
  130   3HD1  LEU  20          3HD1      LEU  20   0.038  -0.477  -0.477
  131   1HD2  LEU  20          2HD2      LEU  20  -0.306  -3.366  -3.366
  132   2HD2  LEU  20          1HD2      LEU  20   1.367  -3.839  -3.839
  133   3HD2  LEU  20          3HD2      LEU  20   0.395  -3.171  -3.171
  134    H    ARG  21           H        ARG  21   3.175  -1.242  -1.242
  135    HA   ARG  21           HA       ARG  21   1.921  -3.079  -3.079
  136   1HB   ARG  21          2HB       ARG  21   4.090  -1.025  -1.025
  137   2HB   ARG  21          1HB       ARG  21   3.411  -1.998  -1.998
  138   1HG   ARG  21          2HG       ARG  21   1.194  -1.127  -1.127
  139   2HG   ARG  21          1HG       ARG  21   1.738  -0.301  -0.301
  140   1HD   ARG  21          2HD       ARG  21   3.347   1.000   1.000
  141   2HD   ARG  21          1HD       ARG  21   2.521   0.311   0.311
  142    HE   ARG  21           HE       ARG  21   1.566   2.444   2.444
  143   1HH1  ARG  21          1HH1      ARG  21   0.561  -0.255  -0.255
  144   2HH1  ARG  21          2HH1      ARG  21  -0.988   0.430   0.430
  145   1HH2  ARG  21          1HH2      ARG  21  -0.467   3.299   3.299
  146   2HH2  ARG  21          2HH2      ARG  21  -1.567   2.424   2.424
  147    H    LYS  22           H        LYS  22   5.246  -2.792  -2.792
  148    HA   LYS  22           HA       LYS  22   6.392  -4.793  -4.793
  149   1HB   LYS  22          2HB       LYS  22   7.136  -3.526  -3.526
  150   2HB   LYS  22          1HB       LYS  22   8.011  -4.958  -4.958
  151   1HG   LYS  22          2HG       LYS  22   8.256  -3.715  -3.715
  152   2HG   LYS  22          1HG       LYS  22   7.795  -2.270  -2.270
  153   1HD   LYS  22          2HD       LYS  22   9.911  -3.981  -3.981
  154   2HD   LYS  22          1HD       LYS  22  10.358  -3.060  -3.060
  155   1HE   LYS  22          2HE       LYS  22   9.186  -1.069  -1.069
  156   2HE   LYS  22          1HE       LYS  22   9.441  -2.054  -2.054
  157   1HZ   LYS  22          2HZ       LYS  22  11.626  -1.482  -1.482
  158   2HZ   LYS  22          1HZ       LYS  22  11.264  -0.432  -0.432
  159   3HZ   LYS  22          3HZ       LYS  22  11.740  -2.028  -2.028
  160    H    ARG  23           H        ARG  23   4.776  -4.905  -4.905
  161    HA   ARG  23           HA       ARG  23   5.323  -7.633  -7.633
  162   1HB   ARG  23          2HB       ARG  23   4.506  -5.919  -5.919
  163   2HB   ARG  23          1HB       ARG  23   2.913  -6.053  -6.053
  164   1HG   ARG  23          2HG       ARG  23   2.647  -7.675  -7.675
  165   2HG   ARG  23          1HG       ARG  23   3.431  -8.671  -8.671
  166   1HD   ARG  23          2HD       ARG  23   5.525  -8.553  -8.553
  167   2HD   ARG  23          1HD       ARG  23   5.067  -7.138  -7.138
  168    HE   ARG  23           HE       ARG  23   3.411  -9.353  -9.353
  169   1HH1  ARG  23          1HH1      ARG  23   6.656  -8.106  -8.106
  170   2HH1  ARG  23          2HH1      ARG  23   6.897  -8.925  -8.925
  171   1HH2  ARG  23          1HH2      ARG  23   3.768 -10.402 -10.402
  172   2HH2  ARG  23          2HH2      ARG  23   5.278 -10.214 -10.214
  173    H    ARG  24           H        ARG  24   2.843  -5.995  -5.995
  174    HA   ARG  24           HA       ARG  24   1.003  -8.119  -8.119
  175   1HB   ARG  24          2HB       ARG  24   0.877  -5.586  -5.586
  176   2HB   ARG  24          1HB       ARG  24   1.454  -6.248  -6.248
  177   1HG   ARG  24          2HG       ARG  24  -0.485  -7.415  -7.415
  178   2HG   ARG  24          1HG       ARG  24  -0.773  -7.708  -7.708
  179   1HD   ARG  24          2HD       ARG  24  -1.833  -5.682  -5.682
  180   2HD   ARG  24          1HD       ARG  24  -0.929  -4.891  -4.891
  181    HE   ARG  24           HE       ARG  24  -3.432  -6.307  -6.307
  182   1HH1  ARG  24          1HH1      ARG  24  -0.518  -5.286  -5.286
  183   2HH1  ARG  24          2HH1      ARG  24  -1.254  -5.331  -5.331
  184   1HH2  ARG  24          1HH2      ARG  24  -4.352  -6.351  -6.351
  185   2HH2  ARG  24          2HH2      ARG  24  -3.406  -5.927  -5.927
  186    H    GLU  25           H        GLU  25   3.795  -7.175  -7.175
  187    HA   GLU  25           HA       GLU  25   3.457  -9.257  -9.257
  188   1HB   GLU  25          2HB       GLU  25   4.871  -7.026  -7.026
  189   2HB   GLU  25          1HB       GLU  25   6.142  -8.061  -8.061
  190   1HG   GLU  25          2HG       GLU  25   6.459  -8.371  -8.371
  191   2HG   GLU  25          1HG       GLU  25   5.365  -9.704  -9.704
  192    H    GLN  26           H        GLN  26   5.444  -8.867  -8.867
  193    HA   GLN  26           HA       GLN  26   6.877 -11.300 -11.300
  194   1HB   GLN  26          2HB       GLN  26   6.302  -9.389  -9.389
  195   2HB   GLN  26          1HB       GLN  26   6.956 -10.977 -10.977
  196   1HG   GLN  26          2HG       GLN  26   8.689 -10.471 -10.471
  197   2HG   GLN  26          1HG       GLN  26   8.194  -8.793  -8.793
  198   1HE2  GLN  26          2HE2      GLN  26  11.026  -9.741  -9.741
  199   2HE2  GLN  26          1HE2      GLN  26  10.834  -9.975  -9.975
  200    H    LEU  27           H        LEU  27   3.760 -10.468 -10.468
  201    HA   LEU  27           HA       LEU  27   3.282 -12.870 -12.870
  202   1HB   LEU  27          2HB       LEU  27   1.506 -10.740 -10.740
  203   2HB   LEU  27          1HB       LEU  27   0.805 -12.211 -12.211
  204    HG   LEU  27           HG       LEU  27   2.832 -10.589 -10.589
  205   1HD1  LEU  27          2HD1      LEU  27   0.637  -9.346  -9.346
  206   2HD1  LEU  27          1HD1      LEU  27  -0.119 -10.325 -10.325
  207   3HD1  LEU  27          3HD1      LEU  27   1.181  -9.209  -9.209
  208   1HD2  LEU  27          3HD2      LEU  27   0.959 -12.855 -12.855
  209   2HD2  LEU  27          2HD2      LEU  27   2.579 -12.574 -12.574
  210   3HD2  LEU  27          1HD2      LEU  27   1.201 -11.703 -11.703
  211    H    LYS  28           H        LYS  28   2.590 -11.892 -11.892
  212    HA   LYS  28           HA       LYS  28   1.152 -14.199 -14.199
  213   1HB   LYS  28          2HB       LYS  28   2.606 -12.030 -12.030
  214   2HB   LYS  28          1HB       LYS  28   2.208 -13.495 -13.495
  215   1HG   LYS  28          2HG       LYS  28  -0.167 -13.175 -13.175
  216   2HG   LYS  28          1HG       LYS  28   0.362 -11.503 -11.503
  217   1HD   LYS  28          2HD       LYS  28   0.469 -11.114 -11.114
  218   2HD   LYS  28          1HD       LYS  28   0.762 -12.811 -12.811
  219   1HE   LYS  28          2HE       LYS  28  -1.502 -13.388 -13.388
  220   2HE   LYS  28          1HE       LYS  28  -1.864 -11.959 -11.959
  221   1HZ   LYS  28          1HZ       LYS  28  -0.923 -11.651 -11.651
  222   2HZ   LYS  28          3HZ       LYS  28  -2.550 -12.026 -12.026
  223   3HZ   LYS  28          2HZ       LYS  28  -1.877 -10.601 -10.601
  224    H    HIS  29           H        HIS  29   4.581 -13.482 -13.482
  225    HA   HIS  29           HA       HIS  29   5.503 -15.737 -15.737
  226   1HB   HIS  29          2HB       HIS  29   6.880 -14.110 -14.110
  227   2HB   HIS  29          1HB       HIS  29   7.675 -15.291 -15.291
  228    HD1  HIS  29           HD1      HIS  29   6.074 -14.521 -14.521
  229    HD2  HIS  29           HD2      HIS  29   8.057 -11.829 -11.829
  230    HE1  HIS  29           HE1      HIS  29   6.578 -12.478 -12.478
  231    H    LYS  30           H        LYS  30   4.731 -15.173 -15.173
  232    HA   LYS  30           HA       LYS  30   5.807 -17.557 -17.557
  233   1HB   LYS  30          2HB       LYS  30   3.684 -15.633 -15.633
  234   2HB   LYS  30          1HB       LYS  30   3.878 -17.163 -17.163
  235   1HG   LYS  30          2HG       LYS  30   6.140 -16.671 -16.671
  236   2HG   LYS  30          1HG       LYS  30   6.211 -15.323 -15.323
  237   1HD   LYS  30          2HD       LYS  30   4.186 -14.423 -14.423
  238   2HD   LYS  30          1HD       LYS  30   4.902 -15.468 -15.468
  239   1HE   LYS  30          2HE       LYS  30   7.129 -14.340 -14.340
  240   2HE   LYS  30          1HE       LYS  30   6.207 -13.158 -13.158
  241   1HZ   LYS  30          1HZ       LYS  30   4.844 -12.830 -12.830
  242   2HZ   LYS  30          3HZ       LYS  30   5.997 -13.751 -13.751
  243   3HZ   LYS  30          2HZ       LYS  30   6.452 -12.287 -12.287
  244    H    LEU  31           H        LEU  31   2.567 -16.773 -16.773
  245    HA   LEU  31           HA       LEU  31   1.392 -19.291 -19.291
  246   1HB   LEU  31          2HB       LEU  31   0.361 -16.969 -16.969
  247   2HB   LEU  31          1HB       LEU  31   0.517 -17.730 -17.730
  248    HG   LEU  31           HG       LEU  31  -0.703 -19.271 -19.271
  249   1HD1  LEU  31          3HD1      LEU  31  -1.815 -16.986 -16.986
  250   2HD1  LEU  31          2HD1      LEU  31  -2.286 -17.473 -17.473
  251   3HD1  LEU  31          1HD1      LEU  31  -2.876 -18.375 -18.375
  252   1HD2  LEU  31          2HD2      LEU  31  -0.650 -19.338 -19.338
  253   2HD2  LEU  31          1HD2      LEU  31  -0.468 -20.661 -20.661
  254   3HD2  LEU  31          3HD2      LEU  31  -2.065 -19.987 -19.987
  255    H    GLU  32           H        GLU  32   2.965 -17.965 -17.965
  256    HA   GLU  32           HA       GLU  32   2.586 -20.236 -20.236
  257   1HB   GLU  32          2HB       GLU  32   3.400 -17.809 -17.809
  258   2HB   GLU  32          1HB       GLU  32   5.002 -18.484 -18.484
  259   1HG   GLU  32          2HG       GLU  32   3.043 -19.914 -19.914
  260   2HG   GLU  32          1HG       GLU  32   4.059 -18.616 -18.616
  261    H    GLN  33           H        GLN  33   5.429 -19.160 -19.160
  262    HA   GLN  33           HA       GLN  33   6.964 -21.500 -21.500
  263   1HB   GLN  33          2HB       GLN  33   7.167 -19.204 -19.204
  264   2HB   GLN  33          1HB       GLN  33   8.154 -20.637 -20.637
  265   1HG   GLN  33          2HG       GLN  33   8.896 -20.468 -20.468
  266   2HG   GLN  33          1HG       GLN  33   8.128 -18.882 -18.882
  267   1HE2  GLN  33          2HE2      GLN  33  10.801 -17.309 -17.309
  268   2HE2  GLN  33          1HE2      GLN  33   9.353 -17.146 -17.146
  269    H    LEU  34           H        LEU  34   5.714 -20.421 -20.421
  270    HA   LEU  34           HA       LEU  34   5.708 -23.138 -23.138
  271   1HB   LEU  34          2HB       LEU  34   5.178 -20.434 -20.434
  272   2HB   LEU  34          1HB       LEU  34   4.484 -21.830 -21.830
  273    HG   LEU  34           HG       LEU  34   7.365 -21.916 -21.916
  274   1HD1  LEU  34          2HD1      LEU  34   6.299 -20.573 -20.573
  275   2HD1  LEU  34          1HD1      LEU  34   7.998 -20.901 -20.901
  276   3HD1  LEU  34          3HD1      LEU  34   7.101 -19.755 -19.755
  277   1HD2  LEU  34          1HD2      LEU  34   5.581 -23.171 -23.171
  278   2HD2  LEU  34          3HD2      LEU  34   6.634 -23.958 -23.958
  279   3HD2  LEU  34          2HD2      LEU  34   7.330 -23.153 -23.153
  280   1HN   NH2  35          1HT       LEU  34   4.043 -24.463 -24.463
  281   2HN   NH2  35          2HT       LEU  34   2.407 -24.014 -24.014
  282   1H    ACE   2          1HA       ACE   2   3.502  20.847  20.847
  283   2H    ACE   2          2HA       ACE   2   4.718  21.631  21.631
  284   3H    ACE   2          3HA       ACE   2   3.917  22.539  22.539
  285    H    CYS   3           H        CYS   3   2.265  23.786  23.786
  286    HA   CYS   3           HA       CYS   3   0.604  23.008  23.008
  287   1HB   CYS   3          2HB       CYS   3   2.505  24.697  24.697
  288   2HB   CYS   3          1HB       CYS   3   1.497  25.864  25.864
  289    H    GLY   4           H        GLY   4  -1.296  22.757  22.757
  290   1HA   GLY   4          2HA       GLY   4  -2.843  24.926  24.926
  291   2HA   GLY   4          1HA       GLY   4  -2.150  24.190  24.190
  292    H    GLY   5           H        GLY   5  -2.724  22.065  22.065
  293   1HA   GLY   5          2HA       GLY   5  -5.301  21.201  21.201
  294   2HA   GLY   5          1HA       GLY   5  -4.679  20.757  20.757
  295    H    MET   6           H        MET   6  -2.836  20.692  20.692
  296    HA   MET   6           HA       MET   6  -1.838  18.087  18.087
  297   1HB   MET   6          2HB       MET   6  -1.110  18.223  18.223
  298   2HB   MET   6          1HB       MET   6  -0.606  19.596  19.596
  299   1HG   MET   6          2HG       MET   6  -2.299  21.003  21.003
  300   2HG   MET   6          1HG       MET   6  -3.158  19.636  19.636
  301   1HE   MET   6          2HE       MET   6  -3.235  19.103  19.103
  302   2HE   MET   6          1HE       MET   6  -1.808  18.123  18.123
  303   3HE   MET   6          3HE       MET   6  -2.215  19.480  19.480
  304    H    ARG   7           H        ARG   7  -4.687  19.277  19.277
  305    HA   ARG   7           HA       ARG   7  -5.307  17.006  17.006
  306   1HB   ARG   7          2HB       ARG   7  -6.419  19.351  19.351
  307   2HB   ARG   7          1HB       ARG   7  -7.426  18.696  18.696
  308   1HG   ARG   7          2HG       ARG   7  -8.217  16.914  16.914
  309   2HG   ARG   7          1HG       ARG   7  -7.067  17.350  17.350
  310   1HD   ARG   7          2HD       ARG   7  -8.193  19.416  19.416
  311   2HD   ARG   7          1HD       ARG   7  -9.177  19.262  19.262
  312    HE   ARG   7           HE       ARG   7  -9.734  18.105  18.105
  313   1HH1  ARG   7          1HH1      ARG   7 -10.018  17.537  17.537
  314   2HH1  ARG   7          2HH1      ARG   7 -11.390  16.498  16.498
  315   1HH2  ARG   7          1HH2      ARG   7 -11.525  16.744  16.744
  316   2HH2  ARG   7          2HH2      ARG   7 -12.237  16.050  16.050
  317    H    ARG   8           H        ARG   8  -6.047  17.849  17.849
  318    HA   ARG   8           HA       ARG   8  -7.707  15.568  15.568
  319   1HB   ARG   8          2HB       ARG   8  -6.435  17.687  17.687
  320   2HB   ARG   8          1HB       ARG   8  -6.975  16.210  16.210
  321   1HG   ARG   8          2HG       ARG   8  -9.161  16.629  16.629
  322   2HG   ARG   8          1HG       ARG   8  -8.589  18.296  18.296
  323   1HD   ARG   8          2HD       ARG   8  -9.151  16.532  16.532
  324   2HD   ARG   8          1HD       ARG   8 -10.067  17.950  17.950
  325    HE   ARG   8           HE       ARG   8  -7.617  17.941  17.941
  326   1HH1  ARG   8          1HH1      ARG   8  -9.508  19.758  19.758
  327   2HH1  ARG   8          2HH1      ARG   8  -8.819  21.276  21.276
  328   1HH2  ARG   8          1HH2      ARG   8  -6.744  19.941  19.941
  329   2HH2  ARG   8          2HH2      ARG   8  -7.267  21.382  21.382
  330    H    LYS   9           H        LYS   9  -4.307  16.348  16.348
  331    HA   LYS   9           HA       LYS   9  -3.655  13.951  13.951
  332   1HB   LYS   9          2HB       LYS   9  -1.885  15.772  15.772
  333   2HB   LYS   9          1HB       LYS   9  -1.309  14.516  14.516
  334   1HG   LYS   9          2HG       LYS   9  -2.198  15.635  15.635
  335   2HG   LYS   9          1HG       LYS   9  -3.146  16.738  16.738
  336   1HD   LYS   9          2HD       LYS   9  -1.344  18.104  18.104
  337   2HD   LYS   9          1HD       LYS   9  -0.759  17.357  17.357
  338   1HE   LYS   9          2HE       LYS   9   1.059  17.012  17.012
  339   2HE   LYS   9          1HE       LYS   9   0.161  15.510  15.510
  340   1HZ   LYS   9          1HZ       LYS   9  -0.263  17.884  17.884
  341   2HZ   LYS   9          3HZ       LYS   9   0.904  16.707  16.707
  342   3HZ   LYS   9          2HZ       LYS   9  -0.738  16.277  16.277
  343    H    ASN  10           H        ASN  10  -3.312  14.903  14.903
  344    HA   ASN  10           HA       ASN  10  -2.188  12.479  12.479
  345   1HB   ASN  10          2HB       ASN  10  -3.669  14.728  14.728
  346   2HB   ASN  10          1HB       ASN  10  -3.308  13.261  13.261
  347   1HD2  ASN  10          2HD2      ASN  10  -0.324  15.870  15.870
  348   2HD2  ASN  10          1HD2      ASN  10  -1.907  16.136  16.136
  349    H    ASP  11           H        ASP  11  -5.500  13.510  13.510
  350    HA   ASP  11           HA       ASP  11  -6.747  11.322  11.322
  351   1HB   ASP  11          2HB       ASP  11  -7.849  13.527  13.527
  352   2HB   ASP  11          1HB       ASP  11  -7.931  12.919  12.919
  353    H    THR  12           H        THR  12  -5.782  11.944  11.944
  354    HA   THR  12           HA       THR  12  -6.949   9.643   9.643
  355    HB   THR  12           HB       THR  12  -4.399  10.968  10.968
  356    HG1  THR  12           HG1      THR  12  -5.626  12.670  12.670
  357   1HG2  THR  12          3HG2      THR  12  -5.234   8.813   8.813
  358   2HG2  THR  12          2HG2      THR  12  -6.655   9.719   9.719
  359   3HG2  THR  12          1HG2      THR  12  -5.057  10.177  10.177
  360    H    HIS  13           H        HIS  13  -3.859  10.214  10.214
  361    HA   HIS  13           HA       HIS  13  -2.670   7.715   7.715
  362   1HB   HIS  13          2HB       HIS  13  -2.125   9.704   9.704
  363   2HB   HIS  13          1HB       HIS  13  -1.179   8.232   8.232
  364    HD1  HIS  13           HD1      HIS  13  -0.333   7.962   7.962
  365    HD2  HIS  13           HD2      HIS  13  -1.050  11.798  11.798
  366    HE1  HIS  13           HE1      HIS  13   0.889   9.559   9.559
  367    H    GLN  14           H        GLN  14  -4.777   8.811   8.811
  368    HA   GLN  14           HA       GLN  14  -4.470   6.613   6.613
  369   1HB   GLN  14          2HB       GLN  14  -6.713   8.579   8.579
  370   2HB   GLN  14          1HB       GLN  14  -6.826   7.292   7.292
  371   1HG   GLN  14          2HG       GLN  14  -4.394   8.248   8.248
  372   2HG   GLN  14          1HG       GLN  14  -5.106   9.722   9.722
  373   1HE2  GLN  14          2HE2      GLN  14  -7.081  10.275  10.275
  374   2HE2  GLN  14          1HE2      GLN  14  -6.423  10.889  10.889
  375    H    GLN  15           H        GLN  15  -6.734   7.230   7.230
  376    HA   GLN  15           HA       GLN  15  -8.269   4.877   4.877
  377   1HB   GLN  15          2HB       GLN  15  -7.672   6.357   6.357
  378   2HB   GLN  15          1HB       GLN  15  -9.043   5.291   5.291
  379   1HG   GLN  15          2HG       GLN  15  -9.526   6.922   6.922
  380   2HG   GLN  15          1HG       GLN  15  -8.504   8.043   8.043
  381   1HE2  GLN  15          2HE2      GLN  15 -12.166   8.225   8.225
  382   2HE2  GLN  15          1HE2      GLN  15 -11.474   8.182   8.182
  383    H    ASP  16           H        ASP  16  -5.426   5.602   5.602
  384    HA   ASP  16           HA       ASP  16  -5.236   3.078   3.078
  385   1HB   ASP  16          2HB       ASP  16  -3.939   5.360   5.360
  386   2HB   ASP  16          1HB       ASP  16  -2.752   4.602   4.602
  387    H    ILE  17           H        ILE  17  -3.923   4.339   4.339
  388    HA   ILE  17           HA       ILE  17  -2.271   2.148   2.148
  389    HB   ILE  17           HB       ILE  17  -3.614   4.328   4.328
  390   1HG1  ILE  17          2HG1      ILE  17  -1.585   4.840   4.840
  391   2HG1  ILE  17          1HG1      ILE  17  -1.283   4.991   4.991
  392   1HG2  ILE  17          1HG2      ILE  17  -2.272   1.866   1.866
  393   2HG2  ILE  17          3HG2      ILE  17  -2.123   3.403   3.403
  394   3HG2  ILE  17          2HG2      ILE  17  -3.716   2.696   2.696
  395   1HD1  ILE  17          1HD1      ILE  17  -0.684   2.328   2.328
  396   2HD1  ILE  17          3HD1      ILE  17  -0.089   3.152   3.152
  397   3HD1  ILE  17          2HD1      ILE  17   0.493   3.633   3.633
  398    H    ASP  18           H        ASP  18  -5.276   2.965   2.965
  399    HA   ASP  18           HA       ASP  18  -5.753   0.590   0.590
  400   1HB   ASP  18          2HB       ASP  18  -7.463   2.833   2.833
  401   2HB   ASP  18          1HB       ASP  18  -8.314   1.331   1.331
  402    H    ASP  19           H        ASP  19  -6.292   1.338   1.338
  403    HA   ASP  19           HA       ASP  19  -7.946  -0.941  -0.941
  404   1HB   ASP  19          2HB       ASP  19  -7.859   1.148   1.148
  405   2HB   ASP  19          1HB       ASP  19  -6.256   0.645   0.645
  406    H    LEU  20           H        LEU  20  -4.503  -0.217  -0.217
  407    HA   LEU  20           HA       LEU  20  -3.714  -2.614  -2.614
  408   1HB   LEU  20          2HB       LEU  20  -2.231  -0.605  -0.605
  409   2HB   LEU  20          1HB       LEU  20  -1.441  -2.036  -2.036
  410    HG   LEU  20           HG       LEU  20  -3.030  -0.161  -0.161
  411   1HD1  LEU  20          1HD1      LEU  20  -0.173   0.045   0.045
  412   2HD1  LEU  20          3HD1      LEU  20  -0.668   0.708   0.708
  413   3HD1  LEU  20          2HD1      LEU  20  -1.401   1.309   1.309
  414   1HD2  LEU  20          2HD2      LEU  20  -0.898  -2.269  -2.269
  415   2HD2  LEU  20          1HD2      LEU  20  -2.557  -2.276  -2.276
  416   3HD2  LEU  20          3HD2      LEU  20  -1.386  -1.136  -1.136
  417    H    LYS  21           H        LYS  21  -3.669  -1.613  -1.613
  418    HA   LYS  21           HA       LYS  21  -2.682  -4.033  -4.033
  419   1HB   LYS  21          2HB       LYS  21  -4.336  -1.809  -1.809
  420   2HB   LYS  21          1HB       LYS  21  -3.890  -3.231  -3.231
  421   1HG   LYS  21          2HG       LYS  21  -1.471  -2.723  -2.723
  422   2HG   LYS  21          1HG       LYS  21  -2.115  -1.106  -1.106
  423   1HD   LYS  21          2HD       LYS  21  -2.428  -0.683  -0.683
  424   2HD   LYS  21          1HD       LYS  21  -2.642  -2.388  -2.388
  425   1HE   LYS  21          2HE       LYS  21  -0.133  -2.600  -2.600
  426   2HE   LYS  21          1HE       LYS  21  -0.093  -0.859  -0.859
  427   1HZ   LYS  21          3HZ       LYS  21  -1.204  -1.459  -1.459
  428   2HZ   LYS  21          2HZ       LYS  21  -0.631  -3.031  -3.031
  429   3HZ   LYS  21          1HZ       LYS  21   0.460  -1.735  -1.735
  430    H    ARG  22           H        ARG  22  -5.944  -2.954  -2.954
  431    HA   ARG  22           HA       ARG  22  -7.371  -5.036  -5.036
  432   1HB   ARG  22          2HB       ARG  22  -8.364  -2.920  -2.920
  433   2HB   ARG  22          1HB       ARG  22  -8.178  -3.632  -3.632
  434   1HG   ARG  22          2HG       ARG  22  -9.863  -5.151  -5.151
  435   2HG   ARG  22          1HG       ARG  22  -9.505  -5.333  -5.333
  436   1HD   ARG  22          2HD       ARG  22 -10.848  -3.581  -3.581
  437   2HD   ARG  22          1HD       ARG  22 -10.517  -2.675  -2.675
  438    HE   ARG  22           HE       ARG  22 -12.670  -4.555  -4.555
  439   1HH1  ARG  22          1HH1      ARG  22 -10.610  -3.032  -3.032
  440   2HH1  ARG  22          2HH1      ARG  22 -11.741  -3.259  -3.259
  441   1HH2  ARG  22          1HH2      ARG  22 -14.116  -4.831  -4.831
  442   2HH2  ARG  22          2HH2      ARG  22 -13.709  -4.269  -4.269
  443    H    GLN  23           H        GLN  23  -5.982  -4.744  -4.744
  444    HA   GLN  23           HA       GLN  23  -6.975  -7.269  -7.269
  445   1HB   GLN  23          2HB       GLN  23  -5.034  -5.236  -5.236
  446   2HB   GLN  23          1HB       GLN  23  -4.983  -6.860  -6.860
  447   1HG   GLN  23          2HG       GLN  23  -7.584  -5.353  -5.353
  448   2HG   GLN  23          1HG       GLN  23  -6.537  -5.136  -5.136
  449   1HE2  GLN  23          2HE2      GLN  23  -7.035  -8.529  -8.529
  450   2HE2  GLN  23          1HE2      GLN  23  -5.838  -7.330  -7.330
  451    H    ASN  24           H        ASN  24  -3.768  -6.133  -6.133
  452    HA   ASN  24           HA       ASN  24  -2.477  -8.640  -8.640
  453   1HB   ASN  24          2HB       ASN  24  -1.830  -6.307  -6.307
  454   2HB   ASN  24          1HB       ASN  24  -0.748  -7.646  -7.646
  455   1HD2  ASN  24          2HD2      ASN  24   0.418  -5.374  -5.374
  456   2HD2  ASN  24          1HD2      ASN  24   0.725  -5.957  -5.957
  457    H    ALA  25           H        ALA  25  -4.421  -7.146  -7.146
  458    HA   ALA  25           HA       ALA  25  -3.730  -8.818  -8.818
  459   1HB   ALA  25          3HB       ALA  25  -6.210  -7.243  -7.243
  460   2HB   ALA  25          2HB       ALA  25  -6.115  -8.238  -8.238
  461   3HB   ALA  25          1HB       ALA  25  -4.985  -6.902  -6.902
  462    H    LEU  26           H        LEU  26  -6.733  -8.974  -8.974
  463    HA   LEU  26           HA       LEU  26  -7.470 -11.551 -11.551
  464   1HB   LEU  26          2HB       LEU  26  -8.978 -11.560 -11.560
  465   2HB   LEU  26          1HB       LEU  26  -9.098 -10.076 -10.076
  466    HG   LEU  26           HG       LEU  26  -7.113  -9.393  -9.393
  467   1HD1  LEU  26          3HD1      LEU  26  -9.002 -11.261 -11.261
  468   2HD1  LEU  26          2HD1      LEU  26  -7.879 -10.154 -10.154
  469   3HD1  LEU  26          1HD1      LEU  26  -7.263 -11.475 -11.475
  470   1HD2  LEU  26          2HD2      LEU  26  -9.416  -8.325  -8.325
  471   2HD2  LEU  26          1HD2      LEU  26  -8.708  -7.958  -7.958
  472   3HD2  LEU  26          3HD2      LEU  26  -9.998  -9.153  -9.153
  473    H    LEU  27           H        LEU  27  -5.340 -10.466 -10.466
  474    HA   LEU  27           HA       LEU  27  -5.215 -12.826 -12.826
  475   1HB   LEU  27          2HB       LEU  27  -3.403 -10.483 -10.483
  476   2HB   LEU  27          1HB       LEU  27  -2.771 -11.907 -11.907
  477    HG   LEU  27           HG       LEU  27  -5.363 -10.554 -10.554
  478   1HD1  LEU  27          3HD1      LEU  27  -3.202  -9.144  -9.144
  479   2HD1  LEU  27          2HD1      LEU  27  -2.736 -10.297 -10.297
  480   3HD1  LEU  27          1HD1      LEU  27  -4.199  -9.331  -9.331
  481   1HD2  LEU  27          1HD2      LEU  27  -3.683 -12.810 -12.810
  482   2HD2  LEU  27          3HD2      LEU  27  -5.439 -12.668 -12.668
  483   3HD2  LEU  27          2HD2      LEU  27  -4.540 -11.811 -11.811
  484    H    GLU  28           H        GLU  28  -2.983 -11.672 -11.672
  485    HA   GLU  28           HA       GLU  28  -1.392 -13.980 -13.980
  486   1HB   GLU  28          2HB       GLU  28  -0.842 -11.777 -11.777
  487   2HB   GLU  28          1HB       GLU  28  -2.059 -12.108 -12.108
  488   1HG   GLU  28          2HG       GLU  28  -0.283 -13.018 -13.018
  489   2HG   GLU  28          1HG       GLU  28  -0.651 -14.421 -14.421
  490    H    GLN  29           H        GLN  29  -4.305 -13.074 -13.074
  491    HA   GLN  29           HA       GLN  29  -4.430 -15.195 -15.195
  492   1HB   GLN  29          2HB       GLN  29  -5.999 -13.091 -13.091
  493   2HB   GLN  29          1HB       GLN  29  -6.965 -14.265 -14.265
  494   1HG   GLN  29          2HG       GLN  29  -7.454 -15.506 -15.506
  495   2HG   GLN  29          1HG       GLN  29  -5.937 -15.088 -15.088
  496   1HE2  GLN  29          2HE2      GLN  29  -7.209 -12.026 -12.026
  497   2HE2  GLN  29          1HE2      GLN  29  -5.783 -12.801 -12.801
  498    H    GLN  30           H        GLN  30  -5.209 -15.101 -15.101
  499    HA   GLN  30           HA       GLN  30  -6.403 -17.768 -17.768
  500   1HB   GLN  30          2HB       GLN  30  -6.000 -15.687 -15.687
  501   2HB   GLN  30          1HB       GLN  30  -6.419 -17.349 -17.349
  502   1HG   GLN  30          2HG       GLN  30  -8.019 -16.007 -16.007
  503   2HG   GLN  30          1HG       GLN  30  -8.308 -15.526 -15.526
  504   1HE2  GLN  30          2HE2      GLN  30 -10.104 -18.447 -18.447
  505   2HE2  GLN  30          1HE2      GLN  30  -9.642 -16.881 -16.881
  506    H    VAL  31           H        VAL  31  -3.446 -16.146 -16.146
  507    HA   VAL  31           HA       VAL  31  -2.295 -18.358 -18.358
  508    HB   VAL  31           HB       VAL  31  -0.899 -16.019 -16.019
  509   1HG1  VAL  31          2HG1      VAL  31  -0.075 -18.125 -18.125
  510   2HG1  VAL  31          1HG1      VAL  31   0.712 -16.547 -16.547
  511   3HG1  VAL  31          3HG1      VAL  31   0.776 -17.574 -17.574
  512   1HG2  VAL  31          1HG2      VAL  31  -2.800 -15.874 -15.874
  513   2HG2  VAL  31          3HG2      VAL  31  -1.503 -14.702 -14.702
  514   3HG2  VAL  31          2HG2      VAL  31  -1.309 -16.008 -16.008
  515    H    ARG  32           H        ARG  32  -2.339 -17.276 -17.276
  516    HA   ARG  32           HA       ARG  32  -0.255 -18.944 -18.944
  517   1HB   ARG  32          2HB       ARG  32  -1.596 -16.936 -16.936
  518   2HB   ARG  32          1HB       ARG  32  -2.564 -18.264 -18.264
  519   1HG   ARG  32          2HG       ARG  32  -0.937 -18.184 -18.184
  520   2HG   ARG  32          1HG       ARG  32  -0.144 -19.283 -19.283
  521   1HD   ARG  32          2HD       ARG  32   1.108 -17.445 -17.445
  522   2HD   ARG  32          1HD       ARG  32   0.239 -16.279 -16.279
  523    HE   ARG  32           HE       ARG  32   1.511 -18.193 -18.193
  524   1HH1  ARG  32          1HH1      ARG  32   2.235 -15.475 -15.475
  525   2HH1  ARG  32          2HH1      ARG  32   3.672 -15.051 -15.051
  526   1HH2  ARG  32          1HH2      ARG  32   3.392 -17.604 -17.604
  527   2HH2  ARG  32          2HH2      ARG  32   4.324 -16.244 -16.244
  528    H    ALA  33           H        ALA  33  -3.737 -19.381 -19.381
  529    HA   ALA  33           HA       ALA  33  -3.713 -22.005 -22.005
  530   1HB   ALA  33          2HB       ALA  33  -5.802 -20.309 -20.309
  531   2HB   ALA  33          1HB       ALA  33  -6.105 -22.021 -22.021
  532   3HB   ALA  33          3HB       ALA  33  -5.770 -20.939 -20.939
  533    H    LEU  34           H        LEU  34  -4.780 -20.934 -20.934
  534    HA   LEU  34           HA       LEU  34  -4.588 -23.488 -23.488
  535   1HB   LEU  34          2HB       LEU  34  -4.757 -20.692 -20.692
  536   2HB   LEU  34          1HB       LEU  34  -4.431 -22.035 -22.035
  537    HG   LEU  34           HG       LEU  34  -6.456 -23.198 -23.198
  538   1HD1  LEU  34          2HD1      LEU  34  -6.642 -20.593 -20.593
  539   2HD1  LEU  34          1HD1      LEU  34  -8.078 -21.560 -21.560
  540   3HD1  LEU  34          3HD1      LEU  34  -6.763 -22.237 -22.237
  541   1HD2  LEU  34          3HD2      LEU  34  -6.341 -21.492 -21.492
  542   2HD2  LEU  34          2HD2      LEU  34  -7.902 -22.082 -22.082
  543   3HD2  LEU  34          1HD2      LEU  34  -7.329 -20.489 -20.489
  544   1HN   NH2  35          1HT       LEU  34  -2.402 -20.695 -20.695
  545   2HN   NH2  35          2HT       LEU  34  -1.028 -21.657 -21.657

  Start of MODEL   16
    1   1H    ACE   2          1HA       ACE   2   0.171  25.783  25.783
    2   2H    ACE   2          2HA       ACE   2  -1.478  25.268  25.268
    3   3H    ACE   2          3HA       ACE   2  -1.157  26.298  26.298
    4    H    CYS   3           H        CYS   3   0.323  25.358  25.358
    5    HA   CYS   3           HA       CYS   3   0.594  22.483  22.483
    6   1HB   CYS   3          2HB       CYS   3  -0.761  22.244  22.244
    7   2HB   CYS   3          1HB       CYS   3  -1.732  22.612  22.612
    8    H    GLY   4           H        GLY   4   1.867  21.779  21.779
    9   1HA   GLY   4          2HA       GLY   4   2.748  23.051  23.051
   10   2HA   GLY   4          1HA       GLY   4   3.716  23.798  23.798
   11    H    GLY   5           H        GLY   5   2.695  20.567  20.567
   12   1HA   GLY   5          2HA       GLY   5   5.408  19.631  19.631
   13   2HA   GLY   5          1HA       GLY   5   4.554  18.970  18.970
   14    H    VAL   6           H        VAL   6   3.052  19.781  19.781
   15    HA   VAL   6           HA       VAL   6   1.866  17.183  17.183
   16    HB   VAL   6           HB       VAL   6   0.729  19.215  19.215
   17   1HG1  VAL   6          3HG1      VAL   6   3.117  20.013  20.013
   18   2HG1  VAL   6          2HG1      VAL   6   2.446  19.319  19.319
   19   3HG1  VAL   6          1HG1      VAL   6   1.590  20.617  20.617
   20   1HG2  VAL   6          2HG2      VAL   6   0.229  16.967  16.967
   21   2HG2  VAL   6          1HG2      VAL   6  -0.060  18.292  18.292
   22   3HG2  VAL   6          3HG2      VAL   6   1.394  17.306  17.306
   23    H    GLN   7           H        GLN   7   4.658  18.783  18.783
   24    HA   GLN   7           HA       GLN   7   5.182  16.989  16.989
   25   1HB   GLN   7          2HB       GLN   7   6.293  19.284  19.284
   26   2HB   GLN   7          1HB       GLN   7   7.400  18.296  18.296
   27   1HG   GLN   7          2HG       GLN   7   8.211  17.155  17.155
   28   2HG   GLN   7          1HG       GLN   7   6.790  17.549  17.549
   29   1HE2  GLN   7          2HE2      GLN   7   8.439  20.303  20.303
   30   2HE2  GLN   7          1HE2      GLN   7   7.375  18.996  18.996
   31    H    ALA   8           H        ALA   8   6.435  17.085  17.085
   32    HA   ALA   8           HA       ALA   8   8.006  14.743  14.743
   33   1HB   ALA   8          2HB       ALA   8   8.081  16.507  16.507
   34   2HB   ALA   8          1HB       ALA   8   6.653  15.724  15.724
   35   3HB   ALA   8          3HB       ALA   8   8.165  14.829  14.829
   36    H    GLU   9           H        GLU   9   4.687  15.270  15.270
   37    HA   GLU   9           HA       GLU   9   4.167  12.575  12.575
   38   1HB   GLU   9          2HB       GLU   9   2.818  14.789  14.789
   39   2HB   GLU   9          1HB       GLU   9   1.975  14.354  14.354
   40   1HG   GLU   9          2HG       GLU   9   1.398  12.171  12.171
   41   2HG   GLU   9          1HG       GLU   9   2.351  12.485  12.485
   42    H    GLU  10           H        GLU  10   3.745  14.406  14.406
   43    HA   GLU  10           HA       GLU  10   2.375  12.333  12.333
   44   1HB   GLU  10          2HB       GLU  10   2.388  14.800  14.800
   45   2HB   GLU  10          1HB       GLU  10   4.019  14.548  14.548
   46   1HG   GLU  10          2HG       GLU  10   2.957  12.581  12.581
   47   2HG   GLU  10          1HG       GLU  10   1.422  13.378  13.378
   48    H    GLN  11           H        GLN  11   5.740  13.238  13.238
   49    HA   GLN  11           HA       GLN  11   6.881  11.644  11.644
   50   1HB   GLN  11          2HB       GLN  11   8.083  13.414  13.414
   51   2HB   GLN  11          1HB       GLN  11   8.131  12.284  12.284
   52   1HG   GLN  11          2HG       GLN  11  10.139  11.720  11.720
   53   2HG   GLN  11          1HG       GLN  11   9.096  10.672  10.672
   54   1HE2  GLN  11          2HE2      GLN  11  10.305  14.195  14.195
   55   2HE2  GLN  11          1HE2      GLN  11   9.983  14.177  14.177
   56    H    LYS  12           H        LYS  12   5.787  10.915  10.915
   57    HA   LYS  12           HA       LYS  12   6.962   8.276   8.276
   58   1HB   LYS  12          2HB       LYS  12   4.941   9.669   9.669
   59   2HB   LYS  12          1HB       LYS  12   5.469   8.007   8.007
   60   1HG   LYS  12          2HG       LYS  12   7.874   8.990   8.990
   61   2HG   LYS  12          1HG       LYS  12   7.087  10.543  10.543
   62   1HD   LYS  12          2HD       LYS  12   6.652   8.123   8.123
   63   2HD   LYS  12          1HD       LYS  12   7.853   9.371   9.371
   64   1HE   LYS  12          2HE       LYS  12   4.961  10.078  10.078
   65   2HE   LYS  12          1HE       LYS  12   5.531   9.623   9.623
   66   1HZ   LYS  12          2HZ       LYS  12   7.232  11.373  11.373
   67   2HZ   LYS  12          1HZ       LYS  12   6.539  11.858  11.858
   68   3HZ   LYS  12          3HZ       LYS  12   5.649  11.988  11.988
   69    H    LEU  13           H        LEU  13   3.788   9.674   9.674
   70    HA   LEU  13           HA       LEU  13   2.315   7.275   7.275
   71   1HB   LEU  13          2HB       LEU  13   1.953  10.017  10.017
   72   2HB   LEU  13          1HB       LEU  13   0.874   8.704   8.704
   73    HG   LEU  13           HG       LEU  13   1.399   9.035   9.035
   74   1HD1  LEU  13          3HD1      LEU  13   1.043  11.367  11.367
   75   2HD1  LEU  13          2HD1      LEU  13  -0.572  10.825  10.825
   76   3HD1  LEU  13          1HD1      LEU  13  -0.103  10.876  10.876
   77   1HD2  LEU  13          2HD2      LEU  13  -0.732   8.061   8.061
   78   2HD2  LEU  13          1HD2      LEU  13  -0.152   7.367   7.367
   79   3HD2  LEU  13          3HD2      LEU  13  -1.263   8.737   8.737
   80    H    ILE  14           H        ILE  14   4.111   9.100   9.100
   81    HA   ILE  14           HA       ILE  14   3.411   7.485   7.485
   82    HB   ILE  14           HB       ILE  14   5.959   9.074   9.074
   83   1HG1  ILE  14          2HG1      ILE  14   3.603  10.077  10.077
   84   2HG1  ILE  14          1HG1      ILE  14   3.528  10.156  10.156
   85   1HG2  ILE  14          2HG2      ILE  14   4.561   7.917   7.917
   86   2HG2  ILE  14          1HG2      ILE  14   5.724   9.235   9.235
   87   3HG2  ILE  14          3HG2      ILE  14   6.231   7.675   7.675
   88   1HD1  ILE  14          1HD1      ILE  14   5.896  11.199  11.199
   89   2HD1  ILE  14          3HD1      ILE  14   4.509  12.209  12.209
   90   3HD1  ILE  14          2HD1      ILE  14   5.491  11.510  11.510
   91    H    SER  15           H        SER  15   6.388   7.525   7.525
   92    HA   SER  15           HA       SER  15   7.577   5.264   5.264
   93   1HB   SER  15          2HB       SER  15   7.894   6.399   6.399
   94   2HB   SER  15          1HB       SER  15   8.922   5.142   5.142
   95    HG   SER  15           HG       SER  15   9.995   6.852   6.852
   96    H    GLU  16           H        GLU  16   5.234   5.593   5.593
   97    HA   GLU  16           HA       GLU  16   5.387   2.919   2.919
   98   1HB   GLU  16          2HB       GLU  16   4.324   4.838   4.838
   99   2HB   GLU  16          1HB       GLU  16   2.980   4.750   4.750
  100   1HG   GLU  16          2HG       GLU  16   2.359   3.455   3.455
  101   2HG   GLU  16          1HG       GLU  16   2.720   2.316   2.316
  102    H    GLU  17           H        GLU  17   3.532   4.501   4.501
  103    HA   GLU  17           HA       GLU  17   1.756   2.347   2.347
  104   1HB   GLU  17          2HB       GLU  17   1.476   4.740   4.740
  105   2HB   GLU  17          1HB       GLU  17   2.712   4.405   4.405
  106   1HG   GLU  17          2HG       GLU  17   0.421   2.497   2.497
  107   2HG   GLU  17          1HG       GLU  17   0.132   4.049   4.049
  108    H    ASP  18           H        ASP  18   4.936   3.250   3.250
  109    HA   ASP  18           HA       ASP  18   5.092   1.352   1.352
  110   1HB   ASP  18          2HB       ASP  18   6.662   3.297   3.297
  111   2HB   ASP  18          1HB       ASP  18   7.414   2.365   2.365
  112    H    LEU  19           H        LEU  19   5.940   1.192   1.192
  113    HA   LEU  19           HA       LEU  19   7.179  -1.345  -1.345
  114   1HB   LEU  19          2HB       LEU  19   7.074   0.421   0.421
  115   2HB   LEU  19          1HB       LEU  19   5.557  -0.369  -0.369
  116    HG   LEU  19           HG       LEU  19   7.032  -2.565  -2.565
  117   1HD1  LEU  19          1HD1      LEU  19   8.972  -0.844  -0.844
  118   2HD1  LEU  19          3HD1      LEU  19   9.151  -0.776  -0.776
  119   3HD1  LEU  19          2HD1      LEU  19   9.311  -2.316  -2.316
  120   1HD2  LEU  19          1HD2      LEU  19   5.887  -1.401  -1.401
  121   2HD2  LEU  19          3HD2      LEU  19   7.139  -2.609  -2.609
  122   3HD2  LEU  19          2HD2      LEU  19   7.530  -0.893  -0.893
  123    H    LEU  20           H        LEU  20   3.823  -0.339  -0.339
  124    HA   LEU  20           HA       LEU  20   2.730  -2.867  -2.867
  125   1HB   LEU  20          2HB       LEU  20   1.660  -0.308  -0.308
  126   2HB   LEU  20          1HB       LEU  20   0.665  -1.752  -1.752
  127    HG   LEU  20           HG       LEU  20   1.906  -1.208  -1.208
  128   1HD1  LEU  20          2HD1      LEU  20   0.873   0.940   0.940
  129   2HD1  LEU  20          1HD1      LEU  20  -0.640   0.093   0.093
  130   3HD1  LEU  20          3HD1      LEU  20  -0.018   0.184   0.184
  131   1HD2  LEU  20          3HD2      LEU  20  -0.458  -2.660  -2.660
  132   2HD2  LEU  20          2HD2      LEU  20   0.750  -3.231  -3.231
  133   3HD2  LEU  20          1HD2      LEU  20  -0.519  -2.125  -2.125
  134    H    ARG  21           H        ARG  21   3.507  -1.319  -1.319
  135    HA   ARG  21           HA       ARG  21   2.217  -3.144  -3.144
  136   1HB   ARG  21          2HB       ARG  21   4.752  -1.562  -1.562
  137   2HB   ARG  21          1HB       ARG  21   3.742  -2.311  -2.311
  138   1HG   ARG  21          2HG       ARG  21   1.814  -0.915  -0.915
  139   2HG   ARG  21          1HG       ARG  21   3.110   0.038   0.038
  140   1HD   ARG  21          2HD       ARG  21   2.661  -0.470  -0.470
  141   2HD   ARG  21          1HD       ARG  21   2.488   1.065   1.065
  142    HE   ARG  21           HE       ARG  21   5.094   0.278   0.278
  143   1HH1  ARG  21          1HH1      ARG  21   3.119   0.893   0.893
  144   2HH1  ARG  21          2HH1      ARG  21   4.459   1.401   1.401
  145   1HH2  ARG  21          1HH2      ARG  21   6.814   0.947   0.947
  146   2HH2  ARG  21          2HH2      ARG  21   6.535   1.432   1.432
  147    H    LYS  22           H        LYS  22   5.393  -3.162  -3.162
  148    HA   LYS  22           HA       LYS  22   6.292  -5.527  -5.527
  149   1HB   LYS  22          2HB       LYS  22   7.359  -3.779  -3.779
  150   2HB   LYS  22          1HB       LYS  22   7.999  -5.417  -5.417
  151   1HG   LYS  22          2HG       LYS  22   8.473  -4.996  -4.996
  152   2HG   LYS  22          1HG       LYS  22   7.932  -3.331  -3.331
  153   1HD   LYS  22          2HD       LYS  22   9.784  -2.738  -2.738
  154   2HD   LYS  22          1HD       LYS  22  10.005  -4.366  -4.366
  155   1HE   LYS  22          2HE       LYS  22  10.666  -5.081  -5.081
  156   2HE   LYS  22          1HE       LYS  22  10.709  -3.368  -3.368
  157   1HZ   LYS  22          2HZ       LYS  22  12.235  -4.548  -4.548
  158   2HZ   LYS  22          1HZ       LYS  22  12.882  -4.311  -4.311
  159   3HZ   LYS  22          3HZ       LYS  22  12.379  -2.977  -2.977
  160    H    ARG  23           H        ARG  23   4.679  -4.792  -4.792
  161    HA   ARG  23           HA       ARG  23   5.089  -7.230  -7.230
  162   1HB   ARG  23          2HB       ARG  23   4.046  -5.057  -5.057
  163   2HB   ARG  23          1HB       ARG  23   2.538  -5.636  -5.636
  164   1HG   ARG  23          2HG       ARG  23   2.331  -6.598  -6.598
  165   2HG   ARG  23          1HG       ARG  23   3.252  -7.876  -7.876
  166   1HD   ARG  23          2HD       ARG  23   5.320  -6.422  -6.422
  167   2HD   ARG  23          1HD       ARG  23   4.167  -5.833  -5.833
  168    HE   ARG  23           HE       ARG  23   4.103  -8.674  -8.674
  169   1HH1  ARG  23          1HH1      ARG  23   6.086  -6.008  -6.008
  170   2HH1  ARG  23          2HH1      ARG  23   6.819  -6.926  -6.926
  171   1HH2  ARG  23          1HH2      ARG  23   5.080  -9.835  -9.835
  172   2HH2  ARG  23          2HH2      ARG  23   6.255  -9.074  -9.074
  173    H    ARG  24           H        ARG  24   2.246  -6.175  -6.175
  174    HA   ARG  24           HA       ARG  24   0.938  -8.672  -8.672
  175   1HB   ARG  24          2HB       ARG  24  -0.352  -7.790  -7.790
  176   2HB   ARG  24          1HB       ARG  24  -0.264  -6.643  -6.643
  177   1HG   ARG  24          2HG       ARG  24   1.957  -5.920  -5.920
  178   2HG   ARG  24          1HG       ARG  24   0.941  -6.487  -6.487
  179   1HD   ARG  24          2HD       ARG  24  -0.827  -4.995  -4.995
  180   2HD   ARG  24          1HD       ARG  24   0.673  -4.085  -4.085
  181    HE   ARG  24           HE       ARG  24   0.370  -3.413  -3.413
  182   1HH1  ARG  24          1HH1      ARG  24  -1.302  -6.451  -6.451
  183   2HH1  ARG  24          2HH1      ARG  24  -1.947  -6.481  -6.481
  184   1HH2  ARG  24          1HH2      ARG  24  -0.492  -3.493  -3.493
  185   2HH2  ARG  24          2HH2      ARG  24  -1.494  -4.822  -4.822
  186    H    GLU  25           H        GLU  25   3.445  -7.351  -7.351
  187    HA   GLU  25           HA       GLU  25   3.267  -9.180  -9.180
  188   1HB   GLU  25          2HB       GLU  25   4.649  -7.071  -7.071
  189   2HB   GLU  25          1HB       GLU  25   5.804  -7.917  -7.917
  190   1HG   GLU  25          2HG       GLU  25   6.446  -9.388  -9.388
  191   2HG   GLU  25          1HG       GLU  25   4.927  -9.199  -9.199
  192    H    GLN  26           H        GLN  26   5.018  -9.287  -9.287
  193    HA   GLN  26           HA       GLN  26   6.234 -11.847 -11.847
  194   1HB   GLN  26          2HB       GLN  26   7.214 -10.059 -10.059
  195   2HB   GLN  26          1HB       GLN  26   5.994 -10.537 -10.537
  196   1HG   GLN  26          2HG       GLN  26   6.827 -12.894 -12.894
  197   2HG   GLN  26          1HG       GLN  26   8.125 -12.315 -12.315
  198   1HE2  GLN  26          2HE2      GLN  26  10.102 -11.281 -11.281
  199   2HE2  GLN  26          1HE2      GLN  26  10.006 -11.685 -11.685
  200    H    LEU  27           H        LEU  27   3.411 -10.645 -10.645
  201    HA   LEU  27           HA       LEU  27   2.745 -12.989 -12.989
  202   1HB   LEU  27          2HB       LEU  27   1.155 -10.635 -10.635
  203   2HB   LEU  27          1HB       LEU  27   0.351 -12.007 -12.007
  204    HG   LEU  27           HG       LEU  27   2.736 -10.723 -10.723
  205   1HD1  LEU  27          2HD1      LEU  27  -0.158  -9.830  -9.830
  206   2HD1  LEU  27          1HD1      LEU  27   1.150  -9.283  -9.283
  207   3HD1  LEU  27          3HD1      LEU  27   1.174  -8.886  -8.886
  208   1HD2  LEU  27          3HD2      LEU  27   0.401 -12.452 -12.452
  209   2HD2  LEU  27          2HD2      LEU  27   2.121 -12.708 -12.708
  210   3HD2  LEU  27          1HD2      LEU  27   1.243 -11.486 -11.486
  211    H    LYS  28           H        LYS  28   1.509 -11.765 -11.765
  212    HA   LYS  28           HA       LYS  28  -0.066 -14.019 -14.019
  213   1HB   LYS  28          2HB       LYS  28   0.048 -13.202 -13.202
  214   2HB   LYS  28          1HB       LYS  28  -0.364 -11.925 -11.925
  215   1HG   LYS  28          2HG       LYS  28   1.309 -10.795 -10.795
  216   2HG   LYS  28          1HG       LYS  28   2.345 -11.721 -11.721
  217   1HD   LYS  28          2HD       LYS  28   3.341 -12.286 -12.286
  218   2HD   LYS  28          1HD       LYS  28   2.102 -13.541 -13.541
  219   1HE   LYS  28          2HE       LYS  28   0.612 -12.152 -12.152
  220   2HE   LYS  28          1HE       LYS  28   1.813 -10.858 -10.858
  221   1HZ   LYS  28          3HZ       LYS  28   2.498 -13.573 -13.573
  222   2HZ   LYS  28          2HZ       LYS  28   1.729 -12.467 -12.467
  223   3HZ   LYS  28          1HZ       LYS  28   3.248 -12.097 -12.097
  224    H    HIS  29           H        HIS  29   3.341 -13.331 -13.331
  225    HA   HIS  29           HA       HIS  29   3.948 -15.402 -15.402
  226   1HB   HIS  29          2HB       HIS  29   5.505 -13.719 -13.719
  227   2HB   HIS  29          1HB       HIS  29   6.266 -15.199 -15.199
  228    HD1  HIS  29           HD1      HIS  29   5.192 -15.272 -15.272
  229    HD2  HIS  29           HD2      HIS  29   6.680 -11.819 -11.819
  230    HE1  HIS  29           HE1      HIS  29   5.896 -13.728 -13.728
  231    H    LYS  30           H        LYS  30   3.579 -15.322 -15.322
  232    HA   LYS  30           HA       LYS  30   4.685 -17.920 -17.920
  233   1HB   LYS  30          2HB       LYS  30   2.925 -16.084 -16.084
  234   2HB   LYS  30          1HB       LYS  30   3.404 -17.681 -17.681
  235   1HG   LYS  30          2HG       LYS  30   5.818 -16.773 -16.773
  236   2HG   LYS  30          1HG       LYS  30   5.053 -15.230 -15.230
  237   1HD   LYS  30          2HD       LYS  30   4.679 -15.826 -15.826
  238   2HD   LYS  30          1HD       LYS  30   4.866 -17.548 -17.548
  239   1HE   LYS  30          2HE       LYS  30   7.212 -17.376 -17.376
  240   2HE   LYS  30          1HE       LYS  30   7.152 -15.626 -15.626
  241   1HZ   LYS  30          3HZ       LYS  30   6.357 -15.439 -15.439
  242   2HZ   LYS  30          2HZ       LYS  30   6.503 -17.121 -17.121
  243   3HZ   LYS  30          1HZ       LYS  30   7.884 -16.170 -16.170
  244    H    LEU  31           H        LEU  31   1.475 -16.650 -16.650
  245    HA   LEU  31           HA       LEU  31  -0.026 -18.957 -18.957
  246   1HB   LEU  31          2HB       LEU  31  -0.743 -16.490 -16.490
  247   2HB   LEU  31          1HB       LEU  31  -0.864 -17.249 -17.249
  248    HG   LEU  31           HG       LEU  31  -2.282 -19.046 -19.046
  249   1HD1  LEU  31          1HD1      LEU  31  -1.844 -17.263 -17.263
  250   2HD1  LEU  31          3HD1      LEU  31  -3.338 -18.190 -18.190
  251   3HD1  LEU  31          2HD1      LEU  31  -1.783 -19.023 -19.023
  252   1HD2  LEU  31          3HD2      LEU  31  -3.095 -16.144 -16.144
  253   2HD2  LEU  31          2HD2      LEU  31  -3.529 -17.418 -17.418
  254   3HD2  LEU  31          1HD2      LEU  31  -4.253 -17.389 -17.389
  255    H    GLU  32           H        GLU  32   1.222 -17.806 -17.806
  256    HA   GLU  32           HA       GLU  32   0.416 -20.055 -20.055
  257   1HB   GLU  32          2HB       GLU  32   2.126 -19.305 -19.305
  258   2HB   GLU  32          1HB       GLU  32   1.065 -18.000 -18.000
  259   1HG   GLU  32          2HG       GLU  32   2.743 -17.151 -17.151
  260   2HG   GLU  32          1HG       GLU  32   3.773 -18.557 -18.557
  261    H    GLN  33           H        GLN  33   3.217 -19.442 -19.442
  262    HA   GLN  33           HA       GLN  33   4.876 -21.540 -21.540
  263   1HB   GLN  33          2HB       GLN  33   5.291 -19.551 -19.551
  264   2HB   GLN  33          1HB       GLN  33   4.897 -20.817 -20.817
  265   1HG   GLN  33          2HG       GLN  33   6.582 -22.273 -22.273
  266   2HG   GLN  33          1HG       GLN  33   7.149 -20.741 -20.741
  267   1HE2  GLN  33          2HE2      GLN  33   9.283 -20.589 -20.589
  268   2HE2  GLN  33          1HE2      GLN  33   9.191 -20.771 -20.771
  269    H    LEU  34           H        LEU  34   2.357 -21.401 -21.401
  270    HA   LEU  34           HA       LEU  34   2.727 -24.193 -24.193
  271   1HB   LEU  34          2HB       LEU  34   1.181 -21.901 -21.901
  272   2HB   LEU  34          1HB       LEU  34   0.353 -23.451 -23.451
  273    HG   LEU  34           HG       LEU  34   1.694 -22.986 -22.986
  274   1HD1  LEU  34          3HD1      LEU  34   1.991 -25.321 -25.321
  275   2HD1  LEU  34          2HD1      LEU  34   3.400 -25.103 -25.103
  276   3HD1  LEU  34          1HD1      LEU  34   1.791 -25.236 -25.236
  277   1HD2  LEU  34          2HD2      LEU  34   3.483 -21.805 -21.805
  278   2HD2  LEU  34          1HD2      LEU  34   3.891 -22.347 -22.347
  279   3HD2  LEU  34          3HD2      LEU  34   4.268 -23.367 -23.367
  280   1HN   NH2  35          1HT       LEU  34   2.241 -25.219 -25.219
  281   2HN   NH2  35          2HT       LEU  34   0.639 -25.326 -25.326
  282   1H    ACE   2          1HA       ACE   2  -7.672  27.142  27.142
  283   2H    ACE   2          2HA       ACE   2  -8.216  26.130  26.130
  284   3H    ACE   2          3HA       ACE   2  -8.079  27.874  27.874
  285    H    CYS   3           H        CYS   3  -6.217  24.926  24.926
  286    HA   CYS   3           HA       CYS   3  -3.652  26.112  26.112
  287   1HB   CYS   3          2HB       CYS   3  -4.617  23.249  23.249
  288   2HB   CYS   3          1HB       CYS   3  -2.930  23.695  23.695
  289    H    GLY   4           H        GLY   4  -5.699  24.036  24.036
  290   1HA   GLY   4          2HA       GLY   4  -5.477  25.344  25.344
  291   2HA   GLY   4          1HA       GLY   4  -4.006  24.378  24.378
  292    H    GLY   5           H        GLY   5  -4.106  22.364  22.364
  293   1HA   GLY   5          2HA       GLY   5  -6.631  20.870  20.870
  294   2HA   GLY   5          1HA       GLY   5  -5.914  21.135  21.135
  295    H    MET   6           H        MET   6  -4.091  20.637  20.637
  296    HA   MET   6           HA       MET   6  -2.406  18.669  18.669
  297   1HB   MET   6          2HB       MET   6  -1.691  18.248  18.248
  298   2HB   MET   6          1HB       MET   6  -1.722  19.966  19.966
  299   1HG   MET   6          2HG       MET   6  -2.886  20.068  20.068
  300   2HG   MET   6          1HG       MET   6  -4.241  19.710  19.710
  301   1HE   MET   6          3HE       MET   6  -3.721  19.334  19.334
  302   2HE   MET   6          2HE       MET   6  -5.326  18.904  18.904
  303   3HE   MET   6          1HE       MET   6  -4.432  17.769  17.769
  304    H    ARG   7           H        ARG   7  -5.444  18.452  18.452
  305    HA   ARG   7           HA       ARG   7  -5.339  15.647  15.647
  306   1HB   ARG   7          2HB       ARG   7  -6.882  17.436  17.436
  307   2HB   ARG   7          1HB       ARG   7  -7.898  17.189  17.189
  308   1HG   ARG   7          2HG       ARG   7  -8.408  14.997  14.997
  309   2HG   ARG   7          1HG       ARG   7  -6.928  14.789  14.789
  310   1HD   ARG   7          2HD       ARG   7  -8.849  16.845  16.845
  311   2HD   ARG   7          1HD       ARG   7  -9.333  15.163  15.163
  312    HE   ARG   7           HE       ARG   7  -6.648  15.646  15.646
  313   1HH1  ARG   7          1HH1      ARG   7 -10.032  15.860  15.860
  314   2HH1  ARG   7          2HH1      ARG   7  -9.721  15.763  15.763
  315   1HH2  ARG   7          1HH2      ARG   7  -6.287  15.520  15.520
  316   2HH2  ARG   7          2HH2      ARG   7  -7.619  15.571  15.571
  317    H    ARG   8           H        ARG   8  -6.434  17.622  17.622
  318    HA   ARG   8           HA       ARG   8  -7.909  15.653  15.653
  319   1HB   ARG   8          2HB       ARG   8  -6.384  18.058  18.058
  320   2HB   ARG   8          1HB       ARG   8  -7.473  17.078  17.078
  321   1HG   ARG   8          2HG       ARG   8  -9.197  17.533  17.533
  322   2HG   ARG   8          1HG       ARG   8  -8.127  18.875  18.875
  323   1HD   ARG   8          2HD       ARG   8  -8.275  19.373  19.373
  324   2HD   ARG   8          1HD       ARG   8  -9.758  18.435  18.435
  325    HE   ARG   8           HE       ARG   8  -9.952  20.259  20.259
  326   1HH1  ARG   8          1HH1      ARG   8  -9.431  20.460  20.460
  327   2HH1  ARG   8          2HH1      ARG   8 -10.195  22.005  22.005
  328   1HH2  ARG   8          1HH2      ARG   8 -10.942  22.272  22.272
  329   2HH2  ARG   8          2HH2      ARG   8 -11.046  23.023  23.023
  330    H    LYS   9           H        LYS   9  -4.552  16.768  16.768
  331    HA   LYS   9           HA       LYS   9  -3.861  14.844  14.844
  332   1HB   LYS   9          2HB       LYS   9  -2.290  16.584  16.584
  333   2HB   LYS   9          1HB       LYS   9  -1.466  15.331  15.331
  334   1HG   LYS   9          2HG       LYS   9  -1.336  17.100  17.100
  335   2HG   LYS   9          1HG       LYS   9  -2.855  16.366  16.366
  336   1HD   LYS   9          2HD       LYS   9  -4.156  17.998  17.998
  337   2HD   LYS   9          1HD       LYS   9  -2.818  18.504  18.504
  338   1HE   LYS   9          2HE       LYS   9  -3.115  20.198  20.198
  339   2HE   LYS   9          1HE       LYS   9  -1.632  19.319  19.319
  340   1HZ   LYS   9          1HZ       LYS   9  -3.207  17.854  17.854
  341   2HZ   LYS   9          3HZ       LYS   9  -4.247  19.191  19.191
  342   3HZ   LYS   9          2HZ       LYS   9  -2.699  19.354  19.354
  343    H    ASN  10           H        ASN  10  -3.495  14.874  14.874
  344    HA   ASN  10           HA       ASN  10  -2.157  12.373  12.373
  345   1HB   ASN  10          2HB       ASN  10  -3.561  14.187  14.187
  346   2HB   ASN  10          1HB       ASN  10  -3.266  12.523  12.523
  347   1HD2  ASN  10          2HD2      ASN  10   0.149  14.514  14.514
  348   2HD2  ASN  10          1HD2      ASN  10  -1.196  14.529  14.529
  349    H    ASP  11           H        ASP  11  -5.528  13.314  13.314
  350    HA   ASP  11           HA       ASP  11  -6.713  10.927  10.927
  351   1HB   ASP  11          2HB       ASP  11  -7.590  13.210  13.210
  352   2HB   ASP  11          1HB       ASP  11  -8.556  11.735  11.735
  353    H    THR  12           H        THR  12  -5.774  11.965  11.965
  354    HA   THR  12           HA       THR  12  -6.673   9.649   9.649
  355    HB   THR  12           HB       THR  12  -5.078  10.363  10.363
  356    HG1  THR  12           HG1      THR  12  -3.858  12.192  12.192
  357   1HG2  THR  12          3HG2      THR  12  -7.368  11.319  11.319
  358   2HG2  THR  12          2HG2      THR  12  -6.707  12.615  12.615
  359   3HG2  THR  12          1HG2      THR  12  -6.222  12.466  12.466
  360    H    HIS  13           H        HIS  13  -3.706  10.430  10.430
  361    HA   HIS  13           HA       HIS  13  -2.152   8.238   8.238
  362   1HB   HIS  13          2HB       HIS  13  -1.988  10.091  10.091
  363   2HB   HIS  13          1HB       HIS  13  -0.945   8.670   8.670
  364    HD1  HIS  13           HD1      HIS  13  -0.014   8.488   8.488
  365    HD2  HIS  13           HD2      HIS  13  -0.540  12.196  12.196
  366    HE1  HIS  13           HE1      HIS  13   1.404  10.135  10.135
  367    H    GLN  14           H        GLN  14  -4.392   8.680   8.680
  368    HA   GLN  14           HA       GLN  14  -3.837   6.190   6.190
  369   1HB   GLN  14          2HB       GLN  14  -4.987   8.201   8.201
  370   2HB   GLN  14          1HB       GLN  14  -6.432   7.728   7.728
  371   1HG   GLN  14          2HG       GLN  14  -6.791   5.863   5.863
  372   2HG   GLN  14          1HG       GLN  14  -5.068   5.583   5.583
  373   1HE2  GLN  14          2HE2      GLN  14  -7.145   7.943   7.943
  374   2HE2  GLN  14          1HE2      GLN  14  -7.869   7.427   7.427
  375    H    GLN  15           H        GLN  15  -6.037   7.230   7.230
  376    HA   GLN  15           HA       GLN  15  -7.744   4.990   4.990
  377   1HB   GLN  15          2HB       GLN  15  -7.938   7.228   7.228
  378   2HB   GLN  15          1HB       GLN  15  -6.907   6.455   6.455
  379   1HG   GLN  15          2HG       GLN  15  -9.295   4.957   4.957
  380   2HG   GLN  15          1HG       GLN  15  -9.543   6.250   6.250
  381   1HE2  GLN  15          2HE2      GLN  15  -7.872   4.512   4.512
  382   2HE2  GLN  15          1HE2      GLN  15  -8.286   6.058   6.058
  383    H    ASP  16           H        ASP  16  -4.849   5.684   5.684
  384    HA   ASP  16           HA       ASP  16  -4.774   3.184   3.184
  385   1HB   ASP  16          2HB       ASP  16  -3.443   5.410   5.410
  386   2HB   ASP  16          1HB       ASP  16  -2.250   4.676   4.676
  387    H    ILE  17           H        ILE  17  -3.284   4.349   4.349
  388    HA   ILE  17           HA       ILE  17  -1.704   2.074   2.074
  389    HB   ILE  17           HB       ILE  17  -2.822   4.333   4.333
  390   1HG1  ILE  17          2HG1      ILE  17   0.023   3.358   3.358
  391   2HG1  ILE  17          1HG1      ILE  17  -0.710   4.377   4.377
  392   1HG2  ILE  17          1HG2      ILE  17  -1.610   1.784   1.784
  393   2HG2  ILE  17          3HG2      ILE  17  -1.397   3.317   3.317
  394   3HG2  ILE  17          2HG2      ILE  17  -3.017   2.670   2.670
  395   1HD1  ILE  17          1HD1      ILE  17  -0.564   5.077   5.077
  396   2HD1  ILE  17          3HD1      ILE  17   0.519   5.709   5.709
  397   3HD1  ILE  17          2HD1      ILE  17  -1.201   6.104   6.104
  398    H    ASP  18           H        ASP  18  -4.657   3.021   3.021
  399    HA   ASP  18           HA       ASP  18  -5.177   0.712   0.712
  400   1HB   ASP  18          2HB       ASP  18  -6.888   2.906   2.906
  401   2HB   ASP  18          1HB       ASP  18  -7.719   1.434   1.434
  402    H    ASP  19           H        ASP  19  -5.969   1.400   1.400
  403    HA   ASP  19           HA       ASP  19  -7.558  -0.902  -0.902
  404   1HB   ASP  19          2HB       ASP  19  -7.249   1.188   1.188
  405   2HB   ASP  19          1HB       ASP  19  -5.801   0.377   0.377
  406    H    LEU  20           H        LEU  20  -4.099  -0.252  -0.252
  407    HA   LEU  20           HA       LEU  20  -3.413  -2.837  -2.837
  408   1HB   LEU  20          2HB       LEU  20  -1.733  -0.693  -0.693
  409   2HB   LEU  20          1HB       LEU  20  -1.080  -2.153  -2.153
  410    HG   LEU  20           HG       LEU  20  -2.901  -0.313  -0.313
  411   1HD1  LEU  20          1HD1      LEU  20   0.051  -0.051  -0.051
  412   2HD1  LEU  20          3HD1      LEU  20  -0.643   0.543   0.543
  413   3HD1  LEU  20          2HD1      LEU  20  -1.190   1.200   1.200
  414   1HD2  LEU  20          2HD2      LEU  20  -2.284  -2.690  -2.690
  415   2HD2  LEU  20          1HD2      LEU  20  -1.958  -1.404  -1.404
  416   3HD2  LEU  20          3HD2      LEU  20  -0.640  -2.086  -2.086
  417    H    LYS  21           H        LYS  21  -3.611  -1.350  -1.350
  418    HA   LYS  21           HA       LYS  21  -2.366  -3.513  -3.513
  419   1HB   LYS  21          2HB       LYS  21  -2.846  -0.986  -0.986
  420   2HB   LYS  21          1HB       LYS  21  -4.307  -1.713  -1.713
  421   1HG   LYS  21          2HG       LYS  21  -3.152  -2.932  -2.932
  422   2HG   LYS  21          1HG       LYS  21  -1.734  -3.115  -3.115
  423   1HD   LYS  21          2HD       LYS  21  -1.417  -0.564  -0.564
  424   2HD   LYS  21          1HD       LYS  21  -2.537  -0.745  -0.745
  425   1HE   LYS  21          2HE       LYS  21  -0.193  -2.609  -2.609
  426   2HE   LYS  21          1HE       LYS  21   0.048  -0.989  -0.989
  427   1HZ   LYS  21          1HZ       LYS  21  -1.820  -1.474  -1.474
  428   2HZ   LYS  21          3HZ       LYS  21  -1.790  -3.083  -3.083
  429   3HZ   LYS  21          2HZ       LYS  21  -0.435  -2.427  -2.427
  430    H    ARG  22           H        ARG  22  -5.685  -2.598  -2.598
  431    HA   ARG  22           HA       ARG  22  -7.013  -4.489  -4.489
  432   1HB   ARG  22          2HB       ARG  22  -7.745  -2.975  -2.975
  433   2HB   ARG  22          1HB       ARG  22  -8.799  -4.262  -4.262
  434   1HG   ARG  22          2HG       ARG  22  -8.372  -2.977  -2.977
  435   2HG   ARG  22          1HG       ARG  22  -8.200  -1.618  -1.618
  436   1HD   ARG  22          2HD       ARG  22 -10.492  -1.586  -1.586
  437   2HD   ARG  22          1HD       ARG  22 -10.399  -2.607  -2.607
  438    HE   ARG  22           HE       ARG  22 -10.249  -4.150  -4.150
  439   1HH1  ARG  22          1HH1      ARG  22 -12.464  -2.472  -2.472
  440   2HH1  ARG  22          2HH1      ARG  22 -13.814  -3.462  -3.462
  441   1HH2  ARG  22          1HH2      ARG  22 -12.035  -5.418  -5.418
  442   2HH2  ARG  22          2HH2      ARG  22 -13.575  -5.116  -5.116
  443    H    GLN  23           H        GLN  23  -5.790  -4.659  -4.659
  444    HA   GLN  23           HA       GLN  23  -6.787  -7.272  -7.272
  445   1HB   GLN  23          2HB       GLN  23  -5.739  -5.360  -5.360
  446   2HB   GLN  23          1HB       GLN  23  -4.297  -6.354  -6.354
  447   1HG   GLN  23          2HG       GLN  23  -6.840  -7.780  -7.780
  448   2HG   GLN  23          1HG       GLN  23  -6.090  -6.863  -6.863
  449   1HE2  GLN  23          2HE2      GLN  23  -3.026  -8.882  -8.882
  450   2HE2  GLN  23          1HE2      GLN  23  -3.451  -7.240  -7.240
  451    H    ASN  24           H        ASN  24  -3.859  -6.025  -6.025
  452    HA   ASN  24           HA       ASN  24  -2.506  -8.584  -8.584
  453   1HB   ASN  24          2HB       ASN  24  -1.909  -5.860  -5.860
  454   2HB   ASN  24          1HB       ASN  24  -1.006  -7.255  -7.255
  455   1HD2  ASN  24          2HD2      ASN  24   0.569  -5.750  -5.750
  456   2HD2  ASN  24          1HD2      ASN  24  -0.017  -5.010  -5.010
  457    H    ALA  25           H        ALA  25  -4.504  -6.709  -6.709
  458    HA   ALA  25           HA       ALA  25  -3.942  -8.058  -8.058
  459   1HB   ALA  25          1HB       ALA  25  -5.459  -5.935  -5.935
  460   2HB   ALA  25          3HB       ALA  25  -6.731  -7.154  -7.154
  461   3HB   ALA  25          2HB       ALA  25  -5.710  -6.894  -6.894
  462    H    LEU  26           H        LEU  26  -6.295  -8.718  -8.718
  463    HA   LEU  26           HA       LEU  26  -7.394 -11.020 -11.020
  464   1HB   LEU  26          2HB       LEU  26  -7.767  -9.775  -9.775
  465   2HB   LEU  26          1HB       LEU  26  -8.383 -11.396 -11.396
  466    HG   LEU  26           HG       LEU  26  -8.974  -9.097  -9.097
  467   1HD1  LEU  26          3HD1      LEU  26  -9.686  -8.857  -8.857
  468   2HD1  LEU  26          2HD1      LEU  26 -10.962  -9.970  -9.970
  469   3HD1  LEU  26          1HD1      LEU  26 -10.790  -8.409  -8.409
  470   1HD2  LEU  26          3HD2      LEU  26  -9.911 -11.901 -11.901
  471   2HD2  LEU  26          2HD2      LEU  26  -9.646 -11.032 -11.032
  472   3HD2  LEU  26          1HD2      LEU  26 -11.099 -10.723 -10.723
  473    H    LEU  27           H        LEU  27  -4.949 -10.387 -10.387
  474    HA   LEU  27           HA       LEU  27  -4.622 -13.015 -13.015
  475   1HB   LEU  27          2HB       LEU  27  -2.903 -10.567 -10.567
  476   2HB   LEU  27          1HB       LEU  27  -2.168 -12.108 -12.108
  477    HG   LEU  27           HG       LEU  27  -4.702 -11.091 -11.091
  478   1HD1  LEU  27          1HD1      LEU  27  -1.822 -10.475 -10.475
  479   2HD1  LEU  27          3HD1      LEU  27  -2.937 -10.656 -10.656
  480   3HD1  LEU  27          2HD1      LEU  27  -3.235  -9.427  -9.427
  481   1HD2  LEU  27          2HD2      LEU  27  -3.674 -13.576 -13.576
  482   2HD2  LEU  27          1HD2      LEU  27  -4.476 -12.888 -12.888
  483   3HD2  LEU  27          3HD2      LEU  27  -2.715 -12.883 -12.883
  484    H    GLU  28           H        GLU  28  -2.710 -11.253 -11.253
  485    HA   GLU  28           HA       GLU  28  -1.121 -13.422 -13.422
  486   1HB   GLU  28          2HB       GLU  28  -0.739 -12.079 -12.079
  487   2HB   GLU  28          1HB       GLU  28  -0.528 -11.148 -11.148
  488   1HG   GLU  28          2HG       GLU  28  -1.940  -9.659  -9.659
  489   2HG   GLU  28          1HG       GLU  28  -3.208 -10.792 -10.792
  490    H    GLN  29           H        GLN  29  -4.343 -12.417 -12.417
  491    HA   GLN  29           HA       GLN  29  -4.639 -13.892 -13.892
  492   1HB   GLN  29          2HB       GLN  29  -6.501 -12.748 -12.748
  493   2HB   GLN  29          1HB       GLN  29  -7.146 -13.961 -13.961
  494   1HG   GLN  29          2HG       GLN  29  -6.345 -12.655 -12.655
  495   2HG   GLN  29          1HG       GLN  29  -5.666 -11.447 -11.447
  496   1HE2  GLN  29          2HE2      GLN  29  -8.768  -9.769  -9.769
  497   2HE2  GLN  29          1HE2      GLN  29  -7.112  -9.759  -9.759
  498    H    GLN  30           H        GLN  30  -4.973 -14.808 -14.808
  499    HA   GLN  30           HA       GLN  30  -5.932 -17.474 -17.474
  500   1HB   GLN  30          2HB       GLN  30  -6.368 -15.969 -15.969
  501   2HB   GLN  30          1HB       GLN  30  -4.927 -16.814 -16.814
  502   1HG   GLN  30          2HG       GLN  30  -5.959 -18.968 -18.968
  503   2HG   GLN  30          1HG       GLN  30  -7.347 -18.214 -18.214
  504   1HE2  GLN  30          2HE2      GLN  30  -9.032 -17.677 -17.677
  505   2HE2  GLN  30          1HE2      GLN  30  -9.100 -17.750 -17.750
  506    H    VAL  31           H        VAL  31  -2.953 -15.907 -15.907
  507    HA   VAL  31           HA       VAL  31  -1.449 -18.233 -18.233
  508    HB   VAL  31           HB       VAL  31  -0.418 -15.592 -15.592
  509   1HG1  VAL  31          3HG1      VAL  31   0.845 -17.901 -17.901
  510   2HG1  VAL  31          2HG1      VAL  31   1.591 -16.306 -16.306
  511   3HG1  VAL  31          1HG1      VAL  31   1.320 -17.238 -17.238
  512   1HG2  VAL  31          3HG2      VAL  31  -1.934 -15.862 -15.862
  513   2HG2  VAL  31          2HG2      VAL  31  -0.634 -14.682 -14.682
  514   3HG2  VAL  31          1HG2      VAL  31  -0.340 -16.219 -16.219
  515    H    ARG  32           H        ARG  32  -2.115 -16.476 -16.476
  516    HA   ARG  32           HA       ARG  32  -0.232 -17.824 -17.824
  517   1HB   ARG  32          2HB       ARG  32  -2.658 -16.151 -16.151
  518   2HB   ARG  32          1HB       ARG  32  -2.050 -17.131 -17.131
  519   1HG   ARG  32          2HG       ARG  32  -0.087 -15.513 -15.513
  520   2HG   ARG  32          1HG       ARG  32  -1.122 -14.676 -14.676
  521   1HD   ARG  32          2HD       ARG  32  -0.192 -15.750 -15.750
  522   2HD   ARG  32          1HD       ARG  32   0.225 -17.187 -17.187
  523    HE   ARG  32           HE       ARG  32   1.774 -14.998 -14.998
  524   1HH1  ARG  32          1HH1      ARG  32   1.438 -17.123 -17.123
  525   2HH1  ARG  32          2HH1      ARG  32   3.100 -16.983 -16.983
  526   1HH2  ARG  32          1HH2      ARG  32   3.934 -14.844 -14.844
  527   2HH2  ARG  32          2HH2      ARG  32   4.504 -15.703 -15.703
  528    H    ALA  33           H        ALA  33  -3.615 -18.439 -18.439
  529    HA   ALA  33           HA       ALA  33  -3.914 -20.665 -20.665
  530   1HB   ALA  33          2HB       ALA  33  -5.815 -19.292 -19.292
  531   2HB   ALA  33          1HB       ALA  33  -5.536 -20.085 -20.085
  532   3HB   ALA  33          3HB       ALA  33  -6.025 -21.036 -21.036
  533    H    LEU  34           H        LEU  34  -2.923 -20.244 -20.244
  534    HA   LEU  34           HA       LEU  34  -2.479 -23.165 -23.165
  535   1HB   LEU  34          2HB       LEU  34  -3.245 -21.108 -21.108
  536   2HB   LEU  34          1HB       LEU  34  -2.371 -22.558 -22.558
  537    HG   LEU  34           HG       LEU  34  -4.154 -23.860 -23.860
  538   1HD1  LEU  34          1HD1      LEU  34  -5.318 -21.085 -21.085
  539   2HD1  LEU  34          3HD1      LEU  34  -6.377 -22.496 -22.496
  540   3HD1  LEU  34          2HD1      LEU  34  -5.274 -22.207 -22.207
  541   1HD2  LEU  34          3HD2      LEU  34  -4.749 -22.363 -22.363
  542   2HD2  LEU  34          2HD2      LEU  34  -4.128 -24.006 -24.006
  543   3HD2  LEU  34          1HD2      LEU  34  -5.792 -23.642 -23.642
  544   1HN   NH2  35          1HT       LEU  34  -0.318 -23.131 -23.131
  545   2HN   NH2  35          2HT       LEU  34   0.969 -22.384 -22.384

  Start of MODEL   17
    1   1H    ACE   2          1HA       ACE   2   6.391  27.418  27.418
    2   2H    ACE   2          2HA       ACE   2   8.076  26.958  26.958
    3   3H    ACE   2          3HA       ACE   2   7.456  28.450  28.450
    4    H    CYS   3           H        CYS   3   6.107  25.159  25.159
    5    HA   CYS   3           HA       CYS   3   5.264  25.268  25.268
    6   1HB   CYS   3          2HB       CYS   3   5.297  23.151  23.151
    7   2HB   CYS   3          1HB       CYS   3   4.975  22.701  22.701
    8    H    GLY   4           H        GLY   4   5.947  23.787  23.787
    9   1HA   GLY   4          2HA       GLY   4   8.478  22.423  22.423
   10   2HA   GLY   4          1HA       GLY   4   8.583  23.918  23.918
   11    H    GLY   5           H        GLY   5   6.859  20.831  20.831
   12   1HA   GLY   5          2HA       GLY   5   7.113  19.954  19.954
   13   2HA   GLY   5          1HA       GLY   5   5.747  21.062  21.062
   14    H    VAL   6           H        VAL   6   4.256  20.704  20.704
   15    HA   VAL   6           HA       VAL   6   2.968  18.226  18.226
   16    HB   VAL   6           HB       VAL   6   1.803  20.229  20.229
   17   1HG1  VAL   6          2HG1      VAL   6   3.816  20.802  20.802
   18   2HG1  VAL   6          1HG1      VAL   6   3.046  19.711  19.711
   19   3HG1  VAL   6          3HG1      VAL   6   2.189  21.146  21.146
   20   1HG2  VAL   6          2HG2      VAL   6   1.765  17.786  17.786
   21   2HG2  VAL   6          1HG2      VAL   6   0.721  18.109  18.109
   22   3HG2  VAL   6          3HG2      VAL   6   0.563  19.074  19.074
   23    H    GLN   7           H        GLN   7   5.415  19.275  19.275
   24    HA   GLN   7           HA       GLN   7   5.243  17.158  17.158
   25   1HB   GLN   7          2HB       GLN   7   7.464  19.007  19.007
   26   2HB   GLN   7          1HB       GLN   7   7.763  17.698  17.698
   27   1HG   GLN   7          2HG       GLN   7   5.683  18.605  18.605
   28   2HG   GLN   7          1HG       GLN   7   5.917  20.063  20.063
   29   1HE2  GLN   7          2HE2      GLN   7   8.515  21.221  21.221
   30   2HE2  GLN   7          1HE2      GLN   7   7.322  21.571  21.571
   31    H    ALA   8           H        ALA   8   7.089  17.516  17.516
   32    HA   ALA   8           HA       ALA   8   8.540  15.102  15.102
   33   1HB   ALA   8          3HB       ALA   8   7.661  16.808  16.808
   34   2HB   ALA   8          2HB       ALA   8   8.576  15.319  15.319
   35   3HB   ALA   8          1HB       ALA   8   9.274  16.644  16.644
   36    H    GLU   9           H        GLU   9   5.402  15.867  15.867
   37    HA   GLU   9           HA       GLU   9   4.934  13.212  13.212
   38   1HB   GLU   9          2HB       GLU   9   3.289  15.696  15.696
   39   2HB   GLU   9          1HB       GLU   9   2.469  14.158  14.158
   40   1HG   GLU   9          2HG       GLU   9   2.842  14.873  14.873
   41   2HG   GLU   9          1HG       GLU   9   4.267  13.873  13.873
   42    H    GLU  10           H        GLU  10   4.228  14.953  14.953
   43    HA   GLU  10           HA       GLU  10   2.391  13.032  13.032
   44   1HB   GLU  10          2HB       GLU  10   2.583  15.430  15.430
   45   2HB   GLU  10          1HB       GLU  10   4.093  14.988  14.988
   46   1HG   GLU  10          2HG       GLU  10   3.028  13.615  13.615
   47   2HG   GLU  10          1HG       GLU  10   1.621  13.365  13.365
   48    H    GLN  11           H        GLN  11   5.870  13.595  13.595
   49    HA   GLN  11           HA       GLN  11   6.392  11.669  11.669
   50   1HB   GLN  11          2HB       GLN  11   7.990  13.170  13.170
   51   2HB   GLN  11          1HB       GLN  11   8.703  11.657  11.657
   52   1HG   GLN  11          2HG       GLN  11   9.431  13.452  13.452
   53   2HG   GLN  11          1HG       GLN  11   8.315  12.413  12.413
   54   1HE2  GLN  11          2HE2      GLN  11   7.448  16.280  16.280
   55   2HE2  GLN  11          1HE2      GLN  11   8.992  15.624  15.624
   56    H    LYS  12           H        LYS  12   5.977  11.426  11.426
   57    HA   LYS  12           HA       LYS  12   6.989   8.758   8.758
   58   1HB   LYS  12          2HB       LYS  12   6.581  10.576  10.576
   59   2HB   LYS  12          1HB       LYS  12   4.951   9.901   9.901
   60   1HG   LYS  12          2HG       LYS  12   6.041   8.577   8.577
   61   2HG   LYS  12          1HG       LYS  12   6.208   7.597   7.597
   62   1HD   LYS  12          2HD       LYS  12   8.461   8.209   8.209
   63   2HD   LYS  12          1HD       LYS  12   8.310   9.628   9.628
   64   1HE   LYS  12          2HE       LYS  12   7.726   7.839   7.839
   65   2HE   LYS  12          1HE       LYS  12   8.584   6.741   6.741
   66   1HZ   LYS  12          2HZ       LYS  12  10.351   8.602   8.602
   67   2HZ   LYS  12          1HZ       LYS  12   9.597   9.107   9.107
   68   3HZ   LYS  12          3HZ       LYS  12  10.266   7.551   7.551
   69    H    LEU  13           H        LEU  13   3.864  10.183  10.183
   70    HA   LEU  13           HA       LEU  13   2.341   7.784   7.784
   71   1HB   LEU  13          2HB       LEU  13   1.835  10.493  10.493
   72   2HB   LEU  13          1HB       LEU  13   0.754   9.184   9.184
   73    HG   LEU  13           HG       LEU  13   1.403   9.396   9.396
   74   1HD1  LEU  13          3HD1      LEU  13  -0.216  11.404  11.404
   75   2HD1  LEU  13          2HD1      LEU  13  -0.612  11.038  11.038
   76   3HD1  LEU  13          1HD1      LEU  13   0.974  11.693  11.693
   77   1HD2  LEU  13          3HD2      LEU  13  -0.075   7.635   7.635
   78   2HD2  LEU  13          2HD2      LEU  13  -0.932   8.665   8.665
   79   3HD2  LEU  13          1HD2      LEU  13  -1.161   8.894   8.894
   80    H    ILE  14           H        ILE  14   3.891   9.373   9.373
   81    HA   ILE  14           HA       ILE  14   2.849   7.688   7.688
   82    HB   ILE  14           HB       ILE  14   5.501   9.156   9.156
   83   1HG1  ILE  14          2HG1      ILE  14   2.945  10.120  10.120
   84   2HG1  ILE  14          1HG1      ILE  14   3.273  10.448  10.448
   85   1HG2  ILE  14          2HG2      ILE  14   3.788   8.020   8.020
   86   2HG2  ILE  14          1HG2      ILE  14   5.122   9.142   9.142
   87   3HG2  ILE  14          3HG2      ILE  14   5.434   7.550   7.550
   88   1HD1  ILE  14          3HD1      ILE  14   5.488  11.010  11.010
   89   2HD1  ILE  14          2HD1      ILE  14   4.094  12.087  12.087
   90   3HD1  ILE  14          1HD1      ILE  14   4.984  11.901  11.901
   91    H    SER  15           H        SER  15   5.989   7.635   7.635
   92    HA   SER  15           HA       SER  15   6.969   5.282   5.282
   93   1HB   SER  15          2HB       SER  15   8.599   5.242   5.242
   94   2HB   SER  15          1HB       SER  15   8.275   6.940   6.940
   95    HG   SER  15           HG       SER  15   6.854   6.943   6.943
   96    H    GLU  16           H        GLU  16   4.789   5.804   5.804
   97    HA   GLU  16           HA       GLU  16   4.875   3.192   3.192
   98   1HB   GLU  16          2HB       GLU  16   3.810   5.357   5.357
   99   2HB   GLU  16          1HB       GLU  16   2.394   4.890   4.890
  100   1HG   GLU  16          2HG       GLU  16   2.029   3.874   3.874
  101   2HG   GLU  16          1HG       GLU  16   2.674   2.565   2.565
  102    H    GLU  17           H        GLU  17   3.036   4.653   4.653
  103    HA   GLU  17           HA       GLU  17   1.233   2.470   2.470
  104   1HB   GLU  17          2HB       GLU  17   0.918   4.850   4.850
  105   2HB   GLU  17          1HB       GLU  17   2.085   4.457   4.457
  106   1HG   GLU  17          2HG       GLU  17   0.671   2.585   2.585
  107   2HG   GLU  17          1HG       GLU  17  -0.492   2.945   2.945
  108    H    ASP  18           H        ASP  18   4.308   3.429   3.429
  109    HA   ASP  18           HA       ASP  18   4.417   1.401   1.401
  110   1HB   ASP  18          2HB       ASP  18   5.909   3.470   3.470
  111   2HB   ASP  18          1HB       ASP  18   6.832   2.559   2.559
  112    H    LEU  19           H        LEU  19   5.486   1.516   1.516
  113    HA   LEU  19           HA       LEU  19   6.851  -0.959  -0.959
  114   1HB   LEU  19          2HB       LEU  19   6.796   0.923   0.923
  115   2HB   LEU  19          1HB       LEU  19   5.341   0.115   0.115
  116    HG   LEU  19           HG       LEU  19   7.735  -1.583  -1.583
  117   1HD1  LEU  19          2HD1      LEU  19   8.537   0.474   0.474
  118   2HD1  LEU  19          1HD1      LEU  19   7.441   0.011   0.011
  119   3HD1  LEU  19          3HD1      LEU  19   8.771  -1.055  -1.055
  120   1HD2  LEU  19          1HD2      LEU  19   5.301  -1.560  -1.560
  121   2HD2  LEU  19          3HD2      LEU  19   6.006  -2.885  -2.885
  122   3HD2  LEU  19          2HD2      LEU  19   6.722  -2.407  -2.407
  123    H    LEU  20           H        LEU  20   3.470  -0.082  -0.082
  124    HA   LEU  20           HA       LEU  20   2.541  -2.585  -2.585
  125   1HB   LEU  20          2HB       LEU  20   1.290  -0.174  -0.174
  126   2HB   LEU  20          1HB       LEU  20   0.356  -1.670  -1.670
  127    HG   LEU  20           HG       LEU  20   1.716  -0.650  -0.650
  128   1HD1  LEU  20          1HD1      LEU  20   0.023   0.990   0.990
  129   2HD1  LEU  20          3HD1      LEU  20  -1.196  -0.190  -0.190
  130   3HD1  LEU  20          2HD1      LEU  20  -0.193   0.591   0.591
  131   1HD2  LEU  20          2HD2      LEU  20   0.829  -3.054  -3.054
  132   2HD2  LEU  20          1HD2      LEU  20   0.272  -2.170  -2.170
  133   3HD2  LEU  20          3HD2      LEU  20  -0.779  -2.332  -2.332
  134    H    ARG  21           H        ARG  21   3.151  -1.294  -1.294
  135    HA   ARG  21           HA       ARG  21   1.827  -3.309  -3.309
  136   1HB   ARG  21          2HB       ARG  21   4.257  -1.688  -1.688
  137   2HB   ARG  21          1HB       ARG  21   3.160  -2.540  -2.540
  138   1HG   ARG  21          2HG       ARG  21   1.373  -1.036  -1.036
  139   2HG   ARG  21          1HG       ARG  21   2.779   0.027   0.027
  140   1HD   ARG  21          2HD       ARG  21   2.872  -0.719  -0.719
  141   2HD   ARG  21          1HD       ARG  21   1.136  -0.817  -0.817
  142    HE   ARG  21           HE       ARG  21   1.078   1.500   1.500
  143   1HH1  ARG  21          1HH1      ARG  21   4.388   0.384   0.384
  144   2HH1  ARG  21          2HH1      ARG  21   5.051   1.978   1.978
  145   1HH2  ARG  21          1HH2      ARG  21   1.985   3.563   3.563
  146   2HH2  ARG  21          2HH2      ARG  21   3.702   3.764   3.764
  147    H    LYS  22           H        LYS  22   5.068  -3.039  -3.039
  148    HA   LYS  22           HA       LYS  22   6.225  -5.277  -5.277
  149   1HB   LYS  22          2HB       LYS  22   6.818  -3.747  -3.747
  150   2HB   LYS  22          1HB       LYS  22   7.652  -5.272  -5.272
  151   1HG   LYS  22          2HG       LYS  22   8.422  -4.443  -4.443
  152   2HG   LYS  22          1HG       LYS  22   7.569  -2.922  -2.922
  153   1HD   LYS  22          2HD       LYS  22   9.098  -2.174  -2.174
  154   2HD   LYS  22          1HD       LYS  22   9.464  -3.797  -3.797
  155   1HE   LYS  22          2HE       LYS  22  11.369  -2.801  -2.801
  156   2HE   LYS  22          1HE       LYS  22  10.758  -4.264  -4.264
  157   1HZ   LYS  22          3HZ       LYS  22   9.798  -1.573  -1.573
  158   2HZ   LYS  22          2HZ       LYS  22  11.169  -2.274  -2.274
  159   3HZ   LYS  22          1HZ       LYS  22   9.653  -3.027  -3.027
  160    H    ARG  23           H        ARG  23   4.424  -4.934  -4.934
  161    HA   ARG  23           HA       ARG  23   4.733  -7.590  -7.590
  162   1HB   ARG  23          2HB       ARG  23   3.862  -5.664  -5.664
  163   2HB   ARG  23          1HB       ARG  23   2.344  -5.798  -5.798
  164   1HG   ARG  23          2HG       ARG  23   1.886  -7.150  -7.150
  165   2HG   ARG  23          1HG       ARG  23   2.522  -8.342  -8.342
  166   1HD   ARG  23          2HD       ARG  23   4.637  -8.388  -8.388
  167   2HD   ARG  23          1HD       ARG  23   4.337  -6.881  -6.881
  168    HE   ARG  23           HE       ARG  23   2.491  -8.980  -8.980
  169   1HH1  ARG  23          1HH1      ARG  23   5.660  -7.619  -7.619
  170   2HH1  ARG  23          2HH1      ARG  23   5.756  -8.264  -8.264
  171   1HH2  ARG  23          1HH2      ARG  23   2.658  -9.801  -9.801
  172   2HH2  ARG  23          2HH2      ARG  23   4.072  -9.489  -9.489
  173    H    ARG  24           H        ARG  24   2.471  -6.078  -6.078
  174    HA   ARG  24           HA       ARG  24   0.605  -8.191  -8.191
  175   1HB   ARG  24          2HB       ARG  24   0.531  -5.741  -5.741
  176   2HB   ARG  24          1HB       ARG  24   1.267  -6.483  -6.483
  177   1HG   ARG  24          2HG       ARG  24  -0.617  -7.674  -7.674
  178   2HG   ARG  24          1HG       ARG  24  -1.060  -7.917  -7.917
  179   1HD   ARG  24          2HD       ARG  24  -2.220  -5.940  -5.940
  180   2HD   ARG  24          1HD       ARG  24  -1.165  -5.125  -5.125
  181    HE   ARG  24           HE       ARG  24  -3.618  -6.430  -6.430
  182   1HH1  ARG  24          1HH1      ARG  24  -0.379  -5.939  -5.939
  183   2HH1  ARG  24          2HH1      ARG  24  -0.859  -6.132  -6.132
  184   1HH2  ARG  24          1HH2      ARG  24  -4.200  -6.673  -6.673
  185   2HH2  ARG  24          2HH2      ARG  24  -3.004  -6.543  -6.543
  186    H    GLU  25           H        GLU  25   3.364  -7.346  -7.346
  187    HA   GLU  25           HA       GLU  25   3.164  -9.675  -9.675
  188   1HB   GLU  25          2HB       GLU  25   5.370  -7.675  -7.675
  189   2HB   GLU  25          1HB       GLU  25   5.590  -9.066  -9.066
  190   1HG   GLU  25          2HG       GLU  25   3.481  -8.328  -8.328
  191   2HG   GLU  25          1HG       GLU  25   3.569  -6.830  -6.830
  192    H    GLN  26           H        GLN  26   4.922  -8.887  -8.887
  193    HA   GLN  26           HA       GLN  26   6.646 -11.116 -11.116
  194   1HB   GLN  26          2HB       GLN  26   6.670  -9.031  -9.031
  195   2HB   GLN  26          1HB       GLN  26   5.434  -9.853  -9.853
  196   1HG   GLN  26          2HG       GLN  26   6.975 -11.817 -11.817
  197   2HG   GLN  26          1HG       GLN  26   8.221 -10.875 -10.875
  198   1HE2  GLN  26          2HE2      GLN  26   8.298  -8.467  -8.467
  199   2HE2  GLN  26          1HE2      GLN  26   8.065  -8.385  -8.385
  200    H    LEU  27           H        LEU  27   3.327 -10.653 -10.653
  201    HA   LEU  27           HA       LEU  27   3.044 -13.109 -13.109
  202   1HB   LEU  27          2HB       LEU  27   1.024 -11.321 -11.321
  203   2HB   LEU  27          1HB       LEU  27   0.572 -12.763 -12.763
  204    HG   LEU  27           HG       LEU  27   2.396 -10.765 -10.765
  205   1HD1  LEU  27          1HD1      LEU  27  -0.622 -10.509 -10.509
  206   2HD1  LEU  27          3HD1      LEU  27   0.427  -9.529  -9.529
  207   3HD1  LEU  27          2HD1      LEU  27   0.547  -9.412  -9.412
  208   1HD2  LEU  27          2HD2      LEU  27   0.227 -12.670 -12.670
  209   2HD2  LEU  27          1HD2      LEU  27   1.967 -12.841 -12.841
  210   3HD2  LEU  27          3HD2      LEU  27   1.084 -11.558 -11.558
  211    H    LYS  28           H        LYS  28   2.141 -12.175 -12.175
  212    HA   LYS  28           HA       LYS  28   1.240 -14.728 -14.728
  213   1HB   LYS  28          2HB       LYS  28   0.990 -12.404 -12.404
  214   2HB   LYS  28          1HB       LYS  28   2.529 -12.819 -12.819
  215   1HG   LYS  28          2HG       LYS  28   1.489 -15.020 -15.020
  216   2HG   LYS  28          1HG       LYS  28  -0.059 -14.385 -14.385
  217   1HD   LYS  28          2HD       LYS  28   0.240 -12.441 -12.441
  218   2HD   LYS  28          1HD       LYS  28   1.702 -13.211 -13.211
  219   1HE   LYS  28          2HE       LYS  28  -1.020 -14.541 -14.541
  220   2HE   LYS  28          1HE       LYS  28  -0.364 -13.658 -13.658
  221   1HZ   LYS  28          2HZ       LYS  28   1.594 -15.158 -15.158
  222   2HZ   LYS  28          1HZ       LYS  28   0.773 -16.076 -16.076
  223   3HZ   LYS  28          3HZ       LYS  28   0.145 -15.948 -15.948
  224    H    HIS  29           H        HIS  29   4.409 -13.175 -13.175
  225    HA   HIS  29           HA       HIS  29   5.734 -15.178 -15.178
  226   1HB   HIS  29          2HB       HIS  29   6.756 -13.124 -13.124
  227   2HB   HIS  29          1HB       HIS  29   7.818 -14.205 -14.205
  228    HD1  HIS  29           HD1      HIS  29   6.263 -14.176 -14.176
  229    HD2  HIS  29           HD2      HIS  29   7.249 -10.765 -10.765
  230    HE1  HIS  29           HE1      HIS  29   6.266 -12.249 -12.249
  231    H    LYS  30           H        LYS  30   4.989 -14.816 -14.816
  232    HA   LYS  30           HA       LYS  30   6.743 -16.783 -16.783
  233   1HB   LYS  30          2HB       LYS  30   5.297 -15.037 -15.037
  234   2HB   LYS  30          1HB       LYS  30   4.029 -16.260 -16.260
  235   1HG   LYS  30          2HG       LYS  30   5.000 -16.955 -16.955
  236   2HG   LYS  30          1HG       LYS  30   6.062 -17.814 -17.814
  237   1HD   LYS  30          2HD       LYS  30   7.620 -15.864 -15.864
  238   2HD   LYS  30          1HD       LYS  30   6.587 -15.103 -15.103
  239   1HE   LYS  30          2HE       LYS  30   7.976 -17.783 -17.783
  240   2HE   LYS  30          1HE       LYS  30   8.469 -16.279 -16.279
  241   1HZ   LYS  30          2HZ       LYS  30   6.264 -16.199 -16.199
  242   2HZ   LYS  30          1HZ       LYS  30   5.907 -17.724 -17.724
  243   3HZ   LYS  30          3HZ       LYS  30   7.168 -17.562 -17.562
  244    H    LEU  31           H        LEU  31   3.486 -16.945 -16.945
  245    HA   LEU  31           HA       LEU  31   3.091 -19.721 -19.721
  246   1HB   LEU  31          2HB       LEU  31   1.310 -17.888 -17.888
  247   2HB   LEU  31          1HB       LEU  31   1.634 -18.299 -18.299
  248    HG   LEU  31           HG       LEU  31   1.293 -20.754 -20.754
  249   1HD1  LEU  31          2HD1      LEU  31   1.289 -19.805 -19.805
  250   2HD1  LEU  31          1HD1      LEU  31  -0.434 -19.619 -19.619
  251   3HD1  LEU  31          3HD1      LEU  31   0.320 -21.209 -21.209
  252   1HD2  LEU  31          3HD2      LEU  31  -1.027 -18.795 -18.795
  253   2HD2  LEU  31          2HD2      LEU  31  -0.311 -19.517 -19.517
  254   3HD2  LEU  31          1HD2      LEU  31  -1.168 -20.529 -20.529
  255    H    GLU  32           H        GLU  32   3.761 -17.953 -17.953
  256    HA   GLU  32           HA       GLU  32   4.512 -20.493 -20.493
  257   1HB   GLU  32          2HB       GLU  32   4.530 -19.130 -19.130
  258   2HB   GLU  32          1HB       GLU  32   2.964 -19.153 -19.153
  259   1HG   GLU  32          2HG       GLU  32   3.085 -16.941 -16.941
  260   2HG   GLU  32          1HG       GLU  32   4.838 -16.984 -16.984
  261    H    GLN  33           H        GLN  33   6.237 -19.429 -19.429
  262    HA   GLN  33           HA       GLN  33   8.364 -17.888 -17.888
  263   1HB   GLN  33          2HB       GLN  33   9.699 -18.900 -18.900
  264   2HB   GLN  33          1HB       GLN  33   8.156 -18.225 -18.225
  265   1HG   GLN  33          2HG       GLN  33   7.146 -20.396 -20.396
  266   2HG   GLN  33          1HG       GLN  33   8.509 -21.146 -21.146
  267   1HE2  GLN  33          2HE2      GLN  33   8.646 -21.126 -21.126
  268   2HE2  GLN  33          1HE2      GLN  33   7.242 -21.115 -21.115
  269    H    LEU  34           H        LEU  34   7.614 -21.297 -21.297
  270    HA   LEU  34           HA       LEU  34   9.772 -21.603 -21.603
  271   1HB   LEU  34          2HB       LEU  34   9.578 -23.116 -23.116
  272   2HB   LEU  34          1HB       LEU  34  10.256 -23.895 -23.895
  273    HG   LEU  34           HG       LEU  34  11.196 -21.209 -21.209
  274   1HD1  LEU  34          2HD1      LEU  34  12.068 -24.018 -24.018
  275   2HD1  LEU  34          1HD1      LEU  34  13.241 -22.703 -22.703
  276   3HD1  LEU  34          3HD1      LEU  34  11.844 -22.656 -22.656
  277   1HD2  LEU  34          2HD2      LEU  34  11.921 -23.050 -23.050
  278   2HD2  LEU  34          1HD2      LEU  34  11.973 -21.289 -21.289
  279   3HD2  LEU  34          3HD2      LEU  34  13.248 -22.237 -22.237
  280   1HN   NH2  35          1HT       LEU  34   6.786 -21.574 -21.574
  281   2HN   NH2  35          2HT       LEU  34   6.344 -23.084 -23.084
  282   1H    ACE   2          1HA       ACE   2  -1.245  26.051  26.051
  283   2H    ACE   2          2HA       ACE   2  -0.757  27.745  27.745
  284   3H    ACE   2          3HA       ACE   2   0.289  26.552  26.552
  285    H    CYS   3           H        CYS   3  -0.039  24.506  24.506
  286    HA   CYS   3           HA       CYS   3   0.968  25.688  25.688
  287   1HB   CYS   3          2HB       CYS   3   2.889  24.089  24.089
  288   2HB   CYS   3          1HB       CYS   3   3.013  25.313  25.313
  289    H    GLY   4           H        GLY   4  -1.480  24.324  24.324
  290   1HA   GLY   4          2HA       GLY   4  -2.530  22.975  22.975
  291   2HA   GLY   4          1HA       GLY   4  -1.212  21.837  21.837
  292    H    GLY   5           H        GLY   5  -3.692  20.840  20.840
  293   1HA   GLY   5          2HA       GLY   5  -4.979  20.956  20.956
  294   2HA   GLY   5          1HA       GLY   5  -5.121  19.636  19.636
  295    H    MET   6           H        MET   6  -3.754  20.683  20.683
  296    HA   MET   6           HA       MET   6  -1.726  18.629  18.629
  297   1HB   MET   6          2HB       MET   6  -2.902  20.447  20.447
  298   2HB   MET   6          1HB       MET   6  -1.509  19.391  19.391
  299   1HG   MET   6          2HG       MET   6  -0.449  20.587  20.587
  300   2HG   MET   6          1HG       MET   6  -1.745  21.773  21.773
  301   1HE   MET   6          1HE       MET   6  -2.207  23.246  23.246
  302   2HE   MET   6          3HE       MET   6  -2.306  21.959  21.959
  303   3HE   MET   6          2HE       MET   6  -1.315  23.384  23.384
  304    H    ARG   7           H        ARG   7  -4.655  19.287  19.287
  305    HA   ARG   7           HA       ARG   7  -4.750  16.735  16.735
  306   1HB   ARG   7          2HB       ARG   7  -6.058  19.016  19.016
  307   2HB   ARG   7          1HB       ARG   7  -7.300  18.202  18.202
  308   1HG   ARG   7          2HG       ARG   7  -7.361  16.338  16.338
  309   2HG   ARG   7          1HG       ARG   7  -5.893  16.867  16.867
  310   1HD   ARG   7          2HD       ARG   7  -7.079  18.900  18.900
  311   2HD   ARG   7          1HD       ARG   7  -8.548  18.328  18.328
  312    HE   ARG   7           HE       ARG   7  -8.858  16.855  16.855
  313   1HH1  ARG   7          1HH1      ARG   7  -5.575  18.065  18.065
  314   2HH1  ARG   7          2HH1      ARG   7  -5.208  17.349  17.349
  315   1HH2  ARG   7          1HH2      ARG   7  -8.339  15.938  15.938
  316   2HH2  ARG   7          2HH2      ARG   7  -6.760  16.155  16.155
  317    H    ARG   8           H        ARG   8  -6.037  17.985  17.985
  318    HA   ARG   8           HA       ARG   8  -7.833  15.882  15.882
  319   1HB   ARG   8          2HB       ARG   8  -6.454  18.006  18.006
  320   2HB   ARG   8          1HB       ARG   8  -7.141  16.645  16.645
  321   1HG   ARG   8          2HG       ARG   8  -8.986  18.046  18.046
  322   2HG   ARG   8          1HG       ARG   8  -9.233  17.113  17.113
  323   1HD   ARG   8          2HD       ARG   8  -9.427  19.236  19.236
  324   2HD   ARG   8          1HD       ARG   8  -7.687  19.018  19.018
  325    HE   ARG   8           HE       ARG   8  -7.402  20.697  20.697
  326   1HH1  ARG   8          1HH1      ARG   8 -10.644  19.407  19.407
  327   2HH1  ARG   8          2HH1      ARG   8 -11.129  20.581  20.581
  328   1HH2  ARG   8          1HH2      ARG   8  -8.078  22.211  22.211
  329   2HH2  ARG   8          2HH2      ARG   8  -9.691  22.155  22.155
  330    H    LYS   9           H        LYS   9  -4.488  16.439  16.439
  331    HA   LYS   9           HA       LYS   9  -4.207  13.985  13.985
  332   1HB   LYS   9          2HB       LYS   9  -2.681  16.153  16.153
  333   2HB   LYS   9          1HB       LYS   9  -1.838  15.237  15.237
  334   1HG   LYS   9          2HG       LYS   9  -1.467  13.385  13.385
  335   2HG   LYS   9          1HG       LYS   9  -2.484  14.131  14.131
  336   1HD   LYS   9          2HD       LYS   9  -0.907  15.797  15.797
  337   2HD   LYS   9          1HD       LYS   9  -0.091  15.606  15.606
  338   1HE   LYS   9          2HE       LYS   9   1.391  14.528  14.528
  339   2HE   LYS   9          1HE       LYS   9   0.411  13.180  13.180
  340   1HZ   LYS   9          1HZ       LYS   9  -1.062  13.778  13.778
  341   2HZ   LYS   9          3HZ       LYS   9   0.333  14.546  14.546
  342   3HZ   LYS   9          2HZ       LYS   9   0.361  12.883  12.883
  343    H    ASN  10           H        ASN  10  -3.716  14.906  14.906
  344    HA   ASN  10           HA       ASN  10  -2.376  12.533  12.533
  345   1HB   ASN  10          2HB       ASN  10  -3.785  14.774  14.774
  346   2HB   ASN  10          1HB       ASN  10  -3.459  13.299  13.299
  347   1HD2  ASN  10          2HD2      ASN  10  -0.400  15.796  15.796
  348   2HD2  ASN  10          1HD2      ASN  10  -1.981  16.112  16.112
  349    H    ASP  11           H        ASP  11  -5.755  13.463  13.463
  350    HA   ASP  11           HA       ASP  11  -6.827  11.218  11.218
  351   1HB   ASP  11          2HB       ASP  11  -7.920  13.334  13.334
  352   2HB   ASP  11          1HB       ASP  11  -8.887  11.882  11.882
  353    H    THR  12           H        THR  12  -6.038  11.882  11.882
  354    HA   THR  12           HA       THR  12  -7.218   9.516   9.516
  355    HB   THR  12           HB       THR  12  -5.806  10.002  10.002
  356    HG1  THR  12           HG1      THR  12  -4.151  11.259  11.259
  357   1HG2  THR  12          1HG2      THR  12  -8.007  11.271  11.271
  358   2HG2  THR  12          3HG2      THR  12  -6.899  12.639  12.639
  359   3HG2  THR  12          2HG2      THR  12  -7.112  11.798  11.798
  360    H    HIS  13           H        HIS  13  -4.038  10.329  10.329
  361    HA   HIS  13           HA       HIS  13  -2.654   8.017   8.017
  362   1HB   HIS  13          2HB       HIS  13  -2.250   9.968   9.968
  363   2HB   HIS  13          1HB       HIS  13  -1.226   8.538   8.538
  364    HD1  HIS  13           HD1      HIS  13  -0.446   8.258   8.258
  365    HD2  HIS  13           HD2      HIS  13  -1.058  12.064  12.064
  366    HE1  HIS  13           HE1      HIS  13   0.795   9.872   9.872
  367    H    GLN  14           H        GLN  14  -4.709   8.681   8.681
  368    HA   GLN  14           HA       GLN  14  -4.112   6.278   6.278
  369   1HB   GLN  14          2HB       GLN  14  -6.245   8.373   8.373
  370   2HB   GLN  14          1HB       GLN  14  -6.463   6.851   6.851
  371   1HG   GLN  14          2HG       GLN  14  -3.989   8.584   8.584
  372   2HG   GLN  14          1HG       GLN  14  -5.338   8.633   8.633
  373   1HE2  GLN  14          2HE2      GLN  14  -4.477   5.570   5.570
  374   2HE2  GLN  14          1HE2      GLN  14  -5.674   6.759   6.759
  375    H    GLN  15           H        GLN  15  -6.507   7.196   7.196
  376    HA   GLN  15           HA       GLN  15  -8.181   4.933   4.933
  377   1HB   GLN  15          2HB       GLN  15  -8.422   7.169   7.169
  378   2HB   GLN  15          1HB       GLN  15  -7.672   6.205   6.205
  379   1HG   GLN  15          2HG       GLN  15  -9.429   4.422   4.422
  380   2HG   GLN  15          1HG       GLN  15 -10.251   5.639   5.639
  381   1HE2  GLN  15          2HE2      GLN  15 -10.472   5.822   5.822
  382   2HE2  GLN  15          1HE2      GLN  15  -9.571   4.610   4.610
  383    H    ASP  16           H        ASP  16  -5.519   5.604   5.604
  384    HA   ASP  16           HA       ASP  16  -5.516   3.064   3.064
  385   1HB   ASP  16          2HB       ASP  16  -4.250   5.319   5.319
  386   2HB   ASP  16          1HB       ASP  16  -2.950   4.560   4.560
  387    H    ILE  17           H        ILE  17  -3.837   4.332   4.332
  388    HA   ILE  17           HA       ILE  17  -2.141   2.125   2.125
  389    HB   ILE  17           HB       ILE  17  -3.232   4.363   4.363
  390   1HG1  ILE  17          2HG1      ILE  17  -0.370   3.529   3.529
  391   2HG1  ILE  17          1HG1      ILE  17  -1.254   4.494   4.494
  392   1HG2  ILE  17          1HG2      ILE  17  -1.835   1.879   1.879
  393   2HG2  ILE  17          3HG2      ILE  17  -1.576   3.426   3.426
  394   3HG2  ILE  17          2HG2      ILE  17  -3.198   2.741   2.741
  395   1HD1  ILE  17          1HD1      ILE  17  -1.806   6.102   6.102
  396   2HD1  ILE  17          3HD1      ILE  17  -0.643   5.213   5.213
  397   3HD1  ILE  17          2HD1      ILE  17  -0.106   6.051   6.051
  398    H    ASP  18           H        ASP  18  -4.937   3.017   3.017
  399    HA   ASP  18           HA       ASP  18  -5.292   0.669   0.669
  400   1HB   ASP  18          2HB       ASP  18  -7.059   2.926   2.926
  401   2HB   ASP  18          1HB       ASP  18  -7.887   1.444   1.444
  402    H    ASP  19           H        ASP  19  -6.181   1.357   1.357
  403    HA   ASP  19           HA       ASP  19  -7.923  -0.918  -0.918
  404   1HB   ASP  19          2HB       ASP  19  -7.977   1.197   1.197
  405   2HB   ASP  19          1HB       ASP  19  -6.521   0.595   0.595
  406    H    LEU  20           H        LEU  20  -4.509  -0.249  -0.249
  407    HA   LEU  20           HA       LEU  20  -3.922  -2.644  -2.644
  408   1HB   LEU  20          2HB       LEU  20  -2.219  -0.636  -0.636
  409   2HB   LEU  20          1HB       LEU  20  -1.531  -2.084  -2.084
  410    HG   LEU  20           HG       LEU  20  -3.310  -0.223  -0.223
  411   1HD1  LEU  20          2HD1      LEU  20  -0.436   0.073   0.073
  412   2HD1  LEU  20          1HD1      LEU  20  -0.894   0.482   0.482
  413   3HD1  LEU  20          3HD1      LEU  20  -1.651   1.317   1.317
  414   1HD2  LEU  20          3HD2      LEU  20  -1.438  -2.501  -2.501
  415   2HD2  LEU  20          2HD2      LEU  20  -3.029  -2.173  -2.173
  416   3HD2  LEU  20          1HD2      LEU  20  -1.626  -1.253  -1.253
  417    H    LYS  21           H        LYS  21  -3.969  -1.705  -1.705
  418    HA   LYS  21           HA       LYS  21  -2.648  -4.025  -4.025
  419   1HB   LYS  21          2HB       LYS  21  -4.372  -1.889  -1.889
  420   2HB   LYS  21          1HB       LYS  21  -3.918  -3.311  -3.311
  421   1HG   LYS  21          2HG       LYS  21  -1.534  -2.854  -2.854
  422   2HG   LYS  21          1HG       LYS  21  -1.993  -1.424  -1.424
  423   1HD   LYS  21          2HD       LYS  21  -2.695  -0.255  -0.255
  424   2HD   LYS  21          1HD       LYS  21  -2.956  -1.730  -1.730
  425   1HE   LYS  21          2HE       LYS  21  -0.965  -0.950  -0.950
  426   2HE   LYS  21          1HE       LYS  21  -0.361  -2.042  -2.042
  427   1HZ   LYS  21          3HZ       LYS  21  -0.857   0.786   0.786
  428   2HZ   LYS  21          2HZ       LYS  21   0.574   0.343   0.343
  429   3HZ   LYS  21          1HZ       LYS  21   0.217  -0.307  -0.307
  430    H    ARG  22           H        ARG  22  -6.069  -3.100  -3.100
  431    HA   ARG  22           HA       ARG  22  -7.189  -5.411  -5.411
  432   1HB   ARG  22          2HB       ARG  22  -9.231  -4.812  -4.812
  433   2HB   ARG  22          1HB       ARG  22  -8.558  -3.450  -3.450
  434   1HG   ARG  22          2HG       ARG  22  -7.501  -2.596  -2.596
  435   2HG   ARG  22          1HG       ARG  22  -7.961  -4.030  -4.030
  436   1HD   ARG  22          2HD       ARG  22 -10.394  -3.286  -3.286
  437   2HD   ARG  22          1HD       ARG  22  -9.617  -1.707  -1.707
  438    HE   ARG  22           HE       ARG  22  -8.995  -2.800  -2.800
  439   1HH1  ARG  22          1HH1      ARG  22 -11.974  -2.224  -2.224
  440   2HH1  ARG  22          2HH1      ARG  22 -12.911  -2.018  -2.018
  441   1HH2  ARG  22          1HH2      ARG  22 -10.254  -2.522  -2.522
  442   2HH2  ARG  22          2HH2      ARG  22 -11.947  -2.183  -2.183
  443    H    GLN  23           H        GLN  23  -5.952  -4.769  -4.769
  444    HA   GLN  23           HA       GLN  23  -7.024  -7.182  -7.182
  445   1HB   GLN  23          2HB       GLN  23  -6.481  -5.116  -5.116
  446   2HB   GLN  23          1HB       GLN  23  -4.771  -5.449  -5.449
  447   1HG   GLN  23          2HG       GLN  23  -5.392  -6.385  -6.385
  448   2HG   GLN  23          1HG       GLN  23  -5.096  -7.711  -7.711
  449   1HE2  GLN  23          2HE2      GLN  23  -8.236  -8.935  -8.935
  450   2HE2  GLN  23          1HE2      GLN  23  -6.554  -9.147  -9.147
  451    H    ASN  24           H        ASN  24  -3.836  -6.085  -6.085
  452    HA   ASN  24           HA       ASN  24  -2.433  -8.466  -8.466
  453   1HB   ASN  24          2HB       ASN  24  -1.934  -6.245  -6.245
  454   2HB   ASN  24          1HB       ASN  24  -0.844  -7.623  -7.623
  455   1HD2  ASN  24          2HD2      ASN  24   0.190  -4.836  -4.836
  456   2HD2  ASN  24          1HD2      ASN  24  -0.142  -4.861  -4.861
  457    H    ALA  25           H        ALA  25  -4.371  -7.456  -7.456
  458    HA   ALA  25           HA       ALA  25  -3.595  -9.554  -9.554
  459   1HB   ALA  25          2HB       ALA  25  -4.690  -7.507  -7.507
  460   2HB   ALA  25          1HB       ALA  25  -6.156  -7.936  -7.936
  461   3HB   ALA  25          3HB       ALA  25  -5.610  -8.941  -8.941
  462    H    LEU  26           H        LEU  26  -6.010  -9.235  -9.235
  463    HA   LEU  26           HA       LEU  26  -7.458 -11.618 -11.618
  464   1HB   LEU  26          2HB       LEU  26  -8.063  -9.538  -9.538
  465   2HB   LEU  26          1HB       LEU  26  -7.418 -10.619 -10.619
  466    HG   LEU  26           HG       LEU  26  -9.334 -11.764 -11.764
  467   1HD1  LEU  26          2HD1      LEU  26 -10.069  -9.904  -9.904
  468   2HD1  LEU  26          1HD1      LEU  26 -11.206 -11.050 -11.050
  469   3HD1  LEU  26          3HD1      LEU  26 -10.523  -9.759  -9.759
  470   1HD2  LEU  26          3HD2      LEU  26  -8.061 -12.918 -12.918
  471   2HD2  LEU  26          2HD2      LEU  26  -9.762 -13.296 -13.296
  472   3HD2  LEU  26          1HD2      LEU  26  -9.300 -12.155 -12.155
  473    H    LEU  27           H        LEU  27  -4.782 -10.827 -10.827
  474    HA   LEU  27           HA       LEU  27  -4.655 -13.297 -13.297
  475   1HB   LEU  27          2HB       LEU  27  -2.442 -11.327 -11.327
  476   2HB   LEU  27          1HB       LEU  27  -2.327 -12.646 -12.646
  477    HG   LEU  27           HG       LEU  27  -4.413 -10.452 -10.452
  478   1HD1  LEU  27          2HD1      LEU  27  -1.748 -10.767 -10.767
  479   2HD1  LEU  27          1HD1      LEU  27  -3.014  -9.674  -9.674
  480   3HD1  LEU  27          3HD1      LEU  27  -2.267  -9.427  -9.427
  481   1HD2  LEU  27          1HD2      LEU  27  -3.708 -12.861 -12.861
  482   2HD2  LEU  27          3HD2      LEU  27  -5.296 -12.200 -12.200
  483   3HD2  LEU  27          2HD2      LEU  27  -4.296 -11.425 -11.425
  484    H    GLU  28           H        GLU  28  -2.849 -12.101 -12.101
  485    HA   GLU  28           HA       GLU  28  -1.362 -14.428 -14.428
  486   1HB   GLU  28          2HB       GLU  28  -1.111 -13.521 -13.521
  487   2HB   GLU  28          1HB       GLU  28  -0.803 -12.309 -12.309
  488   1HG   GLU  28          2HG       GLU  28  -3.014 -11.359 -11.359
  489   2HG   GLU  28          1HG       GLU  28  -3.466 -12.657 -12.657
  490    H    GLN  29           H        GLN  29  -4.638 -13.525 -13.525
  491    HA   GLN  29           HA       GLN  29  -5.159 -15.423 -15.423
  492   1HB   GLN  29          2HB       GLN  29  -6.632 -13.459 -13.459
  493   2HB   GLN  29          1HB       GLN  29  -7.253 -14.683 -14.683
  494   1HG   GLN  29          2HG       GLN  29  -8.711 -15.042 -15.042
  495   2HG   GLN  29          1HG       GLN  29  -7.401 -16.094 -16.094
  496   1HE2  GLN  29          2HE2      GLN  29  -6.423 -13.959 -13.959
  497   2HE2  GLN  29          1HE2      GLN  29  -5.921 -15.230 -15.230
  498    H    GLN  30           H        GLN  30  -5.585 -15.616 -15.616
  499    HA   GLN  30           HA       GLN  30  -6.539 -18.309 -18.309
  500   1HB   GLN  30          2HB       GLN  30  -6.626 -16.430 -16.430
  501   2HB   GLN  30          1HB       GLN  30  -5.115 -17.187 -17.187
  502   1HG   GLN  30          2HG       GLN  30  -6.565 -18.535 -18.535
  503   2HG   GLN  30          1HG       GLN  30  -6.585 -19.408 -19.408
  504   1HE2  GLN  30          2HE2      GLN  30 -10.093 -19.036 -19.036
  505   2HE2  GLN  30          1HE2      GLN  30  -8.776 -20.108 -20.108
  506    H    VAL  31           H        VAL  31  -3.379 -16.802 -16.802
  507    HA   VAL  31           HA       VAL  31  -1.935 -19.139 -19.139
  508    HB   VAL  31           HB       VAL  31  -0.913 -16.715 -16.715
  509   1HG1  VAL  31          1HG1      VAL  31   0.540 -18.798 -18.798
  510   2HG1  VAL  31          3HG1      VAL  31   0.557 -18.601 -18.601
  511   3HG1  VAL  31          2HG1      VAL  31   1.252 -17.352 -17.352
  512   1HG2  VAL  31          2HG2      VAL  31  -2.162 -16.576 -16.576
  513   2HG2  VAL  31          1HG2      VAL  31  -0.771 -15.567 -15.567
  514   3HG2  VAL  31          3HG2      VAL  31  -0.551 -17.035 -17.035
  515    H    ARG  32           H        ARG  32  -2.917 -17.741 -17.741
  516    HA   ARG  32           HA       ARG  32  -1.299 -19.377 -19.377
  517   1HB   ARG  32          2HB       ARG  32  -2.450 -17.257 -17.257
  518   2HB   ARG  32          1HB       ARG  32  -3.973 -18.148 -18.148
  519   1HG   ARG  32          2HG       ARG  32  -3.439 -19.375 -19.375
  520   2HG   ARG  32          1HG       ARG  32  -1.715 -19.394 -19.394
  521   1HD   ARG  32          2HD       ARG  32  -2.922 -16.755 -16.755
  522   2HD   ARG  32          1HD       ARG  32  -2.735 -17.898 -17.898
  523    HE   ARG  32           HE       ARG  32  -0.338 -17.654 -17.654
  524   1HH1  ARG  32          1HH1      ARG  32  -2.218 -16.162 -16.162
  525   2HH1  ARG  32          2HH1      ARG  32  -0.847 -15.380 -15.380
  526   1HH2  ARG  32          1HH2      ARG  32   1.421 -16.616 -16.616
  527   2HH2  ARG  32          2HH2      ARG  32   1.197 -15.634 -15.634
  528    H    ALA  33           H        ALA  33  -4.434 -19.788 -19.788
  529    HA   ALA  33           HA       ALA  33  -4.823 -22.352 -22.352
  530   1HB   ALA  33          2HB       ALA  33  -6.745 -20.804 -20.804
  531   2HB   ALA  33          1HB       ALA  33  -6.701 -20.828 -20.828
  532   3HB   ALA  33          3HB       ALA  33  -7.092 -22.299 -22.299
  533    H    LEU  34           H        LEU  34  -2.759 -22.012 -22.012
  534    HA   LEU  34           HA       LEU  34  -3.616 -24.159 -24.159
  535   1HB   LEU  34          2HB       LEU  34  -2.743 -21.422 -21.422
  536   2HB   LEU  34          1HB       LEU  34  -2.265 -22.808 -22.808
  537    HG   LEU  34           HG       LEU  34  -5.124 -22.354 -22.354
  538   1HD1  LEU  34          2HD1      LEU  34  -3.546 -21.131 -21.131
  539   2HD1  LEU  34          1HD1      LEU  34  -5.170 -21.693 -21.693
  540   3HD1  LEU  34          3HD1      LEU  34  -4.936 -20.491 -20.491
  541   1HD2  LEU  34          3HD2      LEU  34  -3.995 -24.590 -24.590
  542   2HD2  LEU  34          2HD2      LEU  34  -5.634 -24.115 -24.115
  543   3HD2  LEU  34          1HD2      LEU  34  -4.290 -23.771 -23.771
  544   1HN   NH2  35          1HT       LEU  34  -2.129 -25.574 -25.574
  545   2HN   NH2  35          2HT       LEU  34  -0.448 -25.362 -25.362

  Start of MODEL   18
    1   1H    ACE   2          1HA       ACE   2   1.855  22.590  22.590
    2   2H    ACE   2          2HA       ACE   2   3.342  23.456  23.456
    3   3H    ACE   2          3HA       ACE   2   1.915  23.655  23.655
    4    H    CYS   3           H        CYS   3   2.441  23.732  23.732
    5    HA   CYS   3           HA       CYS   3   1.685  26.553  26.553
    6   1HB   CYS   3          2HB       CYS   3  -0.004  24.321  24.321
    7   2HB   CYS   3          1HB       CYS   3   0.053  25.855  25.855
    8    H    GLY   4           H        GLY   4   1.808  23.860  23.860
    9   1HA   GLY   4          2HA       GLY   4   3.757  25.421  25.421
   10   2HA   GLY   4          1HA       GLY   4   2.677  24.194  24.194
   11    H    GLY   5           H        GLY   5   3.335  22.111  22.111
   12   1HA   GLY   5          2HA       GLY   5   5.882  21.416  21.416
   13   2HA   GLY   5          1HA       GLY   5   5.572  20.978  20.978
   14    H    VAL   6           H        VAL   6   3.803  20.774  20.774
   15    HA   VAL   6           HA       VAL   6   2.537  18.297  18.297
   16    HB   VAL   6           HB       VAL   6   2.704  19.550  19.550
   17   1HG1  VAL   6          1HG1      VAL   6   1.888  17.107  17.107
   18   2HG1  VAL   6          3HG1      VAL   6   0.467  17.878  17.878
   19   3HG1  VAL   6          2HG1      VAL   6   0.884  18.173  18.173
   20   1HG2  VAL   6          3HG2      VAL   6   1.832  21.158  21.158
   21   2HG2  VAL   6          2HG2      VAL   6   0.557  20.622  20.622
   22   3HG2  VAL   6          1HG2      VAL   6   0.656  19.959  19.959
   23    H    GLN   7           H        GLN   7   5.334  19.258  19.258
   24    HA   GLN   7           HA       GLN   7   5.808  16.833  16.833
   25   1HB   GLN   7          2HB       GLN   7   7.583  19.102  19.102
   26   2HB   GLN   7          1HB       GLN   7   8.266  17.663  17.663
   27   1HG   GLN   7          2HG       GLN   7   6.973  17.983  17.983
   28   2HG   GLN   7          1HG       GLN   7   5.974  19.217  19.217
   29   1HE2  GLN   7          2HE2      GLN   7   8.127  21.614  21.614
   30   2HE2  GLN   7          1HE2      GLN   7   6.546  21.003  21.003
   31    H    ALA   8           H        ALA   8   6.584  17.912  17.912
   32    HA   ALA   8           HA       ALA   8   8.271  15.639  15.639
   33   1HB   ALA   8          1HB       ALA   8   8.196  18.052  18.052
   34   2HB   ALA   8          3HB       ALA   8   7.019  17.275  17.275
   35   3HB   ALA   8          2HB       ALA   8   8.658  16.634  16.634
   36    H    GLU   9           H        GLU   9   4.976  16.678  16.678
   37    HA   GLU   9           HA       GLU   9   4.312  14.474  14.474
   38   1HB   GLU   9          2HB       GLU   9   3.041  16.749  16.749
   39   2HB   GLU   9          1HB       GLU   9   2.215  15.752  15.752
   40   1HG   GLU   9          2HG       GLU   9   1.366  14.278  14.278
   41   2HG   GLU   9          1HG       GLU   9   2.533  14.810  14.810
   42    H    GLU  10           H        GLU  10   4.264  14.956  14.956
   43    HA   GLU  10           HA       GLU  10   2.812  12.526  12.526
   44   1HB   GLU  10          2HB       GLU  10   3.181  14.741  14.741
   45   2HB   GLU  10          1HB       GLU  10   4.521  13.782  13.782
   46   1HG   GLU  10          2HG       GLU  10   2.792  11.881  11.881
   47   2HG   GLU  10          1HG       GLU  10   1.573  13.137  13.137
   48    H    GLN  11           H        GLN  11   6.165  13.508  13.508
   49    HA   GLN  11           HA       GLN  11   7.394  11.323  11.323
   50   1HB   GLN  11          2HB       GLN  11   8.536  13.435  13.435
   51   2HB   GLN  11          1HB       GLN  11   8.479  12.773  12.773
   52   1HG   GLN  11          2HG       GLN  11  10.573  12.039  12.039
   53   2HG   GLN  11          1HG       GLN  11   9.565  10.658  10.658
   54   1HE2  GLN  11          2HE2      GLN  11  11.650  12.283  12.283
   55   2HE2  GLN  11          1HE2      GLN  11  12.051  12.300  12.300
   56    H    LYS  12           H        LYS  12   6.115  11.719  11.719
   57    HA   LYS  12           HA       LYS  12   7.149   9.169   9.169
   58   1HB   LYS  12          2HB       LYS  12   5.804   9.632   9.632
   59   2HB   LYS  12          1HB       LYS  12   6.908  10.945  10.945
   60   1HG   LYS  12          2HG       LYS  12   5.147  12.280  12.280
   61   2HG   LYS  12          1HG       LYS  12   4.025  10.920  10.920
   62   1HD   LYS  12          2HD       LYS  12   3.453  12.274  12.274
   63   2HD   LYS  12          1HD       LYS  12   4.270  10.841  10.841
   64   1HE   LYS  12          2HE       LYS  12   6.303  12.029  12.029
   65   2HE   LYS  12          1HE       LYS  12   5.764  13.396  13.396
   66   1HZ   LYS  12          1HZ       LYS  12   4.522  12.532  12.532
   67   2HZ   LYS  12          3HZ       LYS  12   5.605  13.827  13.827
   68   3HZ   LYS  12          2HZ       LYS  12   4.086  13.891  13.891
   69    H    LEU  13           H        LEU  13   4.187  10.427  10.427
   70    HA   LEU  13           HA       LEU  13   2.576   8.139   8.139
   71   1HB   LEU  13          2HB       LEU  13   2.223  10.539  10.539
   72   2HB   LEU  13          1HB       LEU  13   1.117   9.173   9.173
   73    HG   LEU  13           HG       LEU  13   1.716  10.213  10.213
   74   1HD1  LEU  13          3HD1      LEU  13   0.245  11.661  11.661
   75   2HD1  LEU  13          2HD1      LEU  13  -0.468  11.663  11.663
   76   3HD1  LEU  13          1HD1      LEU  13   1.155  12.306  12.306
   77   1HD2  LEU  13          3HD2      LEU  13   0.164   8.203   8.203
   78   2HD2  LEU  13          2HD2      LEU  13  -0.236   9.124   9.124
   79   3HD2  LEU  13          1HD2      LEU  13  -1.005   9.521   9.521
   80    H    ILE  14           H        ILE  14   4.289   9.269   9.269
   81    HA   ILE  14           HA       ILE  14   3.488   7.181   7.181
   82    HB   ILE  14           HB       ILE  14   6.075   8.762   8.762
   83   1HG1  ILE  14          2HG1      ILE  14   3.763   9.396   9.396
   84   2HG1  ILE  14          1HG1      ILE  14   3.614   9.855   9.855
   85   1HG2  ILE  14          3HG2      ILE  14   6.095   6.745   6.745
   86   2HG2  ILE  14          2HG2      ILE  14   4.595   7.277   7.277
   87   3HG2  ILE  14          1HG2      ILE  14   6.071   8.220   8.220
   88   1HD1  ILE  14          3HD1      ILE  14   6.122  10.727  10.727
   89   2HD1  ILE  14          2HD1      ILE  14   5.465  10.890  10.890
   90   3HD1  ILE  14          1HD1      ILE  14   4.702  11.736  11.736
   91    H    SER  15           H        SER  15   6.421   7.578   7.578
   92    HA   SER  15           HA       SER  15   7.666   5.164   5.164
   93   1HB   SER  15          2HB       SER  15   8.637   7.093   7.093
   94   2HB   SER  15          1HB       SER  15   7.793   6.414   6.414
   95    HG   SER  15           HG       SER  15  10.061   5.715   5.715
   96    H    GLU  16           H        GLU  16   5.208   5.885   5.885
   97    HA   GLU  16           HA       GLU  16   5.254   3.364   3.364
   98   1HB   GLU  16          2HB       GLU  16   4.069   5.646   5.646
   99   2HB   GLU  16          1HB       GLU  16   2.710   4.922   4.922
  100   1HG   GLU  16          2HG       GLU  16   2.962   2.878   2.878
  101   2HG   GLU  16          1HG       GLU  16   4.204   3.725   3.725
  102    H    GLU  17           H        GLU  17   3.350   4.661   4.661
  103    HA   GLU  17           HA       GLU  17   1.658   2.434   2.434
  104   1HB   GLU  17          2HB       GLU  17   2.609   4.630   4.630
  105   2HB   GLU  17          1HB       GLU  17   1.582   3.327   3.327
  106   1HG   GLU  17          2HG       GLU  17   0.013   3.861   3.861
  107   2HG   GLU  17          1HG       GLU  17   0.955   5.336   5.336
  108    H    ASP  18           H        ASP  18   4.862   3.222   3.222
  109    HA   ASP  18           HA       ASP  18   5.097   1.110   1.110
  110   1HB   ASP  18          2HB       ASP  18   6.656   3.083   3.083
  111   2HB   ASP  18          1HB       ASP  18   7.356   2.300   2.300
  112    H    LEU  19           H        LEU  19   5.595   1.281   1.281
  113    HA   LEU  19           HA       LEU  19   6.950  -1.176  -1.176
  114   1HB   LEU  19          2HB       LEU  19   6.654   0.645   0.645
  115   2HB   LEU  19          1HB       LEU  19   5.004   0.059   0.059
  116    HG   LEU  19           HG       LEU  19   7.239  -1.929  -1.929
  117   1HD1  LEU  19          1HD1      LEU  19   6.700   0.240   0.240
  118   2HD1  LEU  19          3HD1      LEU  19   7.097  -1.367  -1.367
  119   3HD1  LEU  19          2HD1      LEU  19   8.229  -0.517  -0.517
  120   1HD2  LEU  19          2HD2      LEU  19   4.444  -1.598  -1.598
  121   2HD2  LEU  19          1HD2      LEU  19   5.213  -3.009  -3.009
  122   3HD2  LEU  19          3HD2      LEU  19   5.547  -2.591  -2.591
  123    H    LEU  20           H        LEU  20   3.502  -0.331  -0.331
  124    HA   LEU  20           HA       LEU  20   2.616  -3.013  -3.013
  125   1HB   LEU  20          2HB       LEU  20   1.315  -0.420  -0.420
  126   2HB   LEU  20          1HB       LEU  20   0.412  -1.905  -1.905
  127    HG   LEU  20           HG       LEU  20   1.777  -1.493  -1.493
  128   1HD1  LEU  20          1HD1      LEU  20   0.285   0.506   0.506
  129   2HD1  LEU  20          3HD1      LEU  20  -1.065  -0.627  -0.627
  130   3HD1  LEU  20          2HD1      LEU  20  -0.088  -0.314  -0.314
  131   1HD2  LEU  20          1HD2      LEU  20   0.737  -3.693  -3.693
  132   2HD2  LEU  20          3HD2      LEU  20   0.136  -3.068  -3.068
  133   3HD2  LEU  20          2HD2      LEU  20  -0.824  -2.876  -2.876
  134    H    ARG  21           H        ARG  21   3.209  -1.042  -1.042
  135    HA   ARG  21           HA       ARG  21   1.931  -2.693  -2.693
  136   1HB   ARG  21          2HB       ARG  21   4.144  -0.660  -0.660
  137   2HB   ARG  21          1HB       ARG  21   3.656  -1.591  -1.591
  138   1HG   ARG  21          2HG       ARG  21   1.230  -0.845  -0.845
  139   2HG   ARG  21          1HG       ARG  21   2.101   0.447   0.447
  140   1HD   ARG  21          2HD       ARG  21   3.349   0.554   0.554
  141   2HD   ARG  21          1HD       ARG  21   1.797  -0.080  -0.080
  142    HE   ARG  21           HE       ARG  21   1.181   2.051   2.051
  143   1HH1  ARG  21          1HH1      ARG  21   3.054   1.580   1.580
  144   2HH1  ARG  21          2HH1      ARG  21   2.762   3.183   3.183
  145   1HH2  ARG  21          1HH2      ARG  21   0.828   4.132   4.132
  146   2HH2  ARG  21          2HH2      ARG  21   1.514   4.617   4.617
  147    H    LYS  22           H        LYS  22   5.259  -2.578  -2.578
  148    HA   LYS  22           HA       LYS  22   6.327  -4.584  -4.584
  149   1HB   LYS  22          2HB       LYS  22   7.571  -2.944  -2.944
  150   2HB   LYS  22          1HB       LYS  22   7.254  -4.124  -4.124
  151   1HG   LYS  22          2HG       LYS  22   8.340  -5.215  -5.215
  152   2HG   LYS  22          1HG       LYS  22   9.446  -4.222  -4.222
  153   1HD   LYS  22          2HD       LYS  22   7.828  -6.378  -6.378
  154   2HD   LYS  22          1HD       LYS  22   9.319  -6.788  -6.788
  155   1HE   LYS  22          2HE       LYS  22   9.203  -4.584  -4.584
  156   2HE   LYS  22          1HE       LYS  22   9.545  -6.259  -6.259
  157   1HZ   LYS  22          2HZ       LYS  22  11.321  -6.145  -6.145
  158   2HZ   LYS  22          1HZ       LYS  22  11.114  -4.459  -4.459
  159   3HZ   LYS  22          3HZ       LYS  22  11.621  -5.284  -5.284
  160    H    ARG  23           H        ARG  23   4.572  -4.707  -4.707
  161    HA   ARG  23           HA       ARG  23   5.052  -7.475  -7.475
  162   1HB   ARG  23          2HB       ARG  23   4.275  -5.754  -5.754
  163   2HB   ARG  23          1HB       ARG  23   2.681  -5.851  -5.851
  164   1HG   ARG  23          2HG       ARG  23   2.662  -8.303  -8.303
  165   2HG   ARG  23          1HG       ARG  23   4.213  -8.153  -8.153
  166   1HD   ARG  23          2HD       ARG  23   3.288  -6.886  -6.886
  167   2HD   ARG  23          1HD       ARG  23   1.843  -6.491  -6.491
  168    HE   ARG  23           HE       ARG  23   2.092  -9.317  -9.317
  169   1HH1  ARG  23          1HH1      ARG  23   1.119  -6.309  -6.309
  170   2HH1  ARG  23          2HH1      ARG  23   0.017  -7.078  -7.078
  171   1HH2  ARG  23          1HH2      ARG  23   0.646 -10.280 -10.280
  172   2HH2  ARG  23          2HH2      ARG  23  -0.250  -9.308  -9.308
  173    H    ARG  24           H        ARG  24   2.652  -5.672  -5.672
  174    HA   ARG  24           HA       ARG  24   0.772  -7.767  -7.767
  175   1HB   ARG  24          2HB       ARG  24   0.425  -5.281  -5.281
  176   2HB   ARG  24          1HB       ARG  24   1.296  -5.546  -5.546
  177   1HG   ARG  24          2HG       ARG  24  -0.374  -6.891  -6.891
  178   2HG   ARG  24          1HG       ARG  24  -0.966  -7.383  -7.383
  179   1HD   ARG  24          2HD       ARG  24  -2.629  -5.900  -5.900
  180   2HD   ARG  24          1HD       ARG  24  -1.601  -4.872  -4.872
  181    HE   ARG  24           HE       ARG  24  -1.065  -3.675  -3.675
  182   1HH1  ARG  24          1HH1      ARG  24  -2.367  -6.791  -6.791
  183   2HH1  ARG  24          2HH1      ARG  24  -2.398  -6.405  -6.405
  184   1HH2  ARG  24          1HH2      ARG  24  -1.124  -3.214  -3.214
  185   2HH2  ARG  24          2HH2      ARG  24  -1.701  -4.399  -4.399
  186    H    GLU  25           H        GLU  25   3.280  -6.496  -6.496
  187    HA   GLU  25           HA       GLU  25   2.978  -8.476  -8.476
  188   1HB   GLU  25          2HB       GLU  25   5.248  -7.786  -7.786
  189   2HB   GLU  25          1HB       GLU  25   4.171  -6.415  -6.415
  190   1HG   GLU  25          2HG       GLU  25   5.174  -5.967  -5.967
  191   2HG   GLU  25          1HG       GLU  25   6.143  -7.438  -7.438
  192    H    GLN  26           H        GLN  26   4.800  -8.394  -8.394
  193    HA   GLN  26           HA       GLN  26   6.472 -10.636 -10.636
  194   1HB   GLN  26          2HB       GLN  26   6.747  -8.908  -8.908
  195   2HB   GLN  26          1HB       GLN  26   5.481  -9.780  -9.780
  196   1HG   GLN  26          2HG       GLN  26   6.858 -11.880 -11.880
  197   2HG   GLN  26          1HG       GLN  26   8.158 -10.868 -10.868
  198   1HE2  GLN  26          2HE2      GLN  26   9.259 -10.535 -10.535
  199   2HE2  GLN  26          1HE2      GLN  26   9.614 -11.111 -11.111
  200    H    LEU  27           H        LEU  27   3.279 -10.267 -10.267
  201    HA   LEU  27           HA       LEU  27   2.969 -12.960 -12.960
  202   1HB   LEU  27          2HB       LEU  27   0.971 -10.790 -10.790
  203   2HB   LEU  27          1HB       LEU  27   0.490 -12.389 -12.389
  204    HG   LEU  27           HG       LEU  27   2.528 -10.729 -10.729
  205   1HD1  LEU  27          3HD1      LEU  27  -0.488 -10.747 -10.747
  206   2HD1  LEU  27          2HD1      LEU  27   0.651 -10.019 -10.019
  207   3HD1  LEU  27          1HD1      LEU  27   0.497  -9.372  -9.372
  208   1HD2  LEU  27          2HD2      LEU  27   0.652 -12.985 -12.985
  209   2HD2  LEU  27          1HD2      LEU  27   2.395 -13.121 -13.121
  210   3HD2  LEU  27          3HD2      LEU  27   1.758 -12.162 -12.162
  211    H    LYS  28           H        LYS  28   2.200 -11.257 -11.257
  212    HA   LYS  28           HA       LYS  28   0.821 -13.427 -13.427
  213   1HB   LYS  28          2HB       LYS  28   1.004 -10.834 -10.834
  214   2HB   LYS  28          1HB       LYS  28   2.279 -11.445 -11.445
  215   1HG   LYS  28          2HG       LYS  28  -0.291 -12.954 -12.954
  216   2HG   LYS  28          1HG       LYS  28  -0.293 -11.380 -11.380
  217   1HD   LYS  28          2HD       LYS  28   1.217 -12.047 -12.047
  218   2HD   LYS  28          1HD       LYS  28   1.946 -13.278 -13.278
  219   1HE   LYS  28          2HE       LYS  28  -0.085 -14.662 -14.662
  220   2HE   LYS  28          1HE       LYS  28  -0.826 -13.429 -13.429
  221   1HZ   LYS  28          2HZ       LYS  28   1.785 -14.627 -14.627
  222   2HZ   LYS  28          1HZ       LYS  28   0.327 -15.378 -15.378
  223   3HZ   LYS  28          3HZ       LYS  28   0.687 -13.820 -13.820
  224    H    HIS  29           H        HIS  29   4.175 -12.324 -12.324
  225    HA   HIS  29           HA       HIS  29   5.150 -14.093 -14.093
  226   1HB   HIS  29          2HB       HIS  29   6.489 -12.671 -12.671
  227   2HB   HIS  29          1HB       HIS  29   7.380 -13.707 -13.707
  228    HD1  HIS  29           HD1      HIS  29   6.024 -12.981 -12.981
  229    HD2  HIS  29           HD2      HIS  29   7.164 -10.141 -10.141
  230    HE1  HIS  29           HE1      HIS  29   6.276 -10.790 -10.790
  231    H    LYS  30           H        LYS  30   4.802 -14.367 -14.367
  232    HA   LYS  30           HA       LYS  30   6.171 -16.807 -16.807
  233   1HB   LYS  30          2HB       LYS  30   5.100 -15.089 -15.089
  234   2HB   LYS  30          1HB       LYS  30   3.766 -16.241 -16.241
  235   1HG   LYS  30          2HG       LYS  30   4.982 -17.916 -17.916
  236   2HG   LYS  30          1HG       LYS  30   6.498 -17.387 -17.387
  237   1HD   LYS  30          2HD       LYS  30   6.775 -16.858 -16.858
  238   2HD   LYS  30          1HD       LYS  30   6.283 -15.325 -15.325
  239   1HE   LYS  30          2HE       LYS  30   4.774 -15.369 -15.369
  240   2HE   LYS  30          1HE       LYS  30   3.848 -16.315 -16.315
  241   1HZ   LYS  30          1HZ       LYS  30   5.661 -17.431 -17.431
  242   2HZ   LYS  30          3HZ       LYS  30   3.968 -17.411 -17.411
  243   3HZ   LYS  30          2HZ       LYS  30   4.746 -18.333 -18.333
  244    H    LEU  31           H        LEU  31   2.695 -16.158 -16.158
  245    HA   LEU  31           HA       LEU  31   1.855 -18.849 -18.849
  246   1HB   LEU  31          2HB       LEU  31   0.553 -16.472 -16.472
  247   2HB   LEU  31          1HB       LEU  31   0.372 -16.954 -16.954
  248    HG   LEU  31           HG       LEU  31  -0.246 -18.828 -18.828
  249   1HD1  LEU  31          1HD1      LEU  31  -1.624 -16.648 -16.648
  250   2HD1  LEU  31          3HD1      LEU  31  -2.295 -17.246 -17.246
  251   3HD1  LEU  31          2HD1      LEU  31  -2.523 -18.164 -18.164
  252   1HD2  LEU  31          1HD2      LEU  31  -0.717 -18.774 -18.774
  253   2HD2  LEU  31          3HD2      LEU  31  -0.010 -20.058 -20.058
  254   3HD2  LEU  31          2HD2      LEU  31  -1.744 -19.748 -19.748
  255    H    GLU  32           H        GLU  32   3.037 -16.712 -16.712
  256    HA   GLU  32           HA       GLU  32   2.390 -18.278 -18.278
  257   1HB   GLU  32          2HB       GLU  32   3.374 -15.866 -15.866
  258   2HB   GLU  32          1HB       GLU  32   4.934 -16.688 -16.688
  259   1HG   GLU  32          2HG       GLU  32   4.186 -17.906 -17.906
  260   2HG   GLU  32          1HG       GLU  32   2.747 -16.887 -16.887
  261    H    GLN  33           H        GLN  33   5.468 -18.092 -18.092
  262    HA   GLN  33           HA       GLN  33   6.297 -20.627 -20.627
  263   1HB   GLN  33          2HB       GLN  33   8.531 -20.081 -20.081
  264   2HB   GLN  33          1HB       GLN  33   7.953 -18.874 -18.874
  265   1HG   GLN  33          2HG       GLN  33   7.640 -17.281 -17.281
  266   2HG   GLN  33          1HG       GLN  33   7.187 -18.467 -18.467
  267   1HE2  GLN  33          2HE2      GLN  33  10.715 -17.039 -17.039
  268   2HE2  GLN  33          1HE2      GLN  33   9.273 -16.251 -16.251
  269    H    LEU  34           H        LEU  34   4.255 -20.525 -20.525
  270    HA   LEU  34           HA       LEU  34   3.662 -21.659 -21.659
  271   1HB   LEU  34          2HB       LEU  34   6.133 -23.136 -23.136
  272   2HB   LEU  34          1HB       LEU  34   5.352 -23.538 -23.538
  273    HG   LEU  34           HG       LEU  34   4.523 -24.970 -24.970
  274   1HD1  LEU  34          3HD1      LEU  34   3.046 -23.913 -23.913
  275   2HD1  LEU  34          2HD1      LEU  34   2.231 -23.137 -23.137
  276   3HD1  LEU  34          1HD1      LEU  34   2.312 -24.897 -24.897
  277   1HD2  LEU  34          2HD2      LEU  34   4.866 -23.147 -23.147
  278   2HD2  LEU  34          1HD2      LEU  34   3.372 -24.076 -24.076
  279   3HD2  LEU  34          3HD2      LEU  34   3.343 -22.454 -22.454
  280   1HN   NH2  35          1HT       LEU  34   4.373 -22.028 -22.028
  281   2HN   NH2  35          2HT       LEU  34   5.531 -20.962 -20.962
  282   1H    ACE   2          1HA       ACE   2  -5.365  26.264  26.264
  283   2H    ACE   2          2HA       ACE   2  -3.648  25.865  25.865
  284   3H    ACE   2          3HA       ACE   2  -4.843  24.589  24.589
  285    H    CYS   3           H        CYS   3  -4.022  23.890  23.890
  286    HA   CYS   3           HA       CYS   3  -4.108  25.833  25.833
  287   1HB   CYS   3          2HB       CYS   3  -1.961  24.507  24.507
  288   2HB   CYS   3          1HB       CYS   3  -2.833  23.104  23.104
  289    H    GLY   4           H        GLY   4  -4.950  22.493  22.493
  290   1HA   GLY   4          2HA       GLY   4  -7.209  21.691  21.691
  291   2HA   GLY   4          1HA       GLY   4  -7.159  22.619  22.619
  292    H    GLY   5           H        GLY   5  -4.482  21.904  21.904
  293   1HA   GLY   5          2HA       GLY   5  -5.020  19.396  19.396
  294   2HA   GLY   5          1HA       GLY   5  -3.541  20.345  20.345
  295    H    MET   6           H        MET   6  -3.129  20.466  20.466
  296    HA   MET   6           HA       MET   6  -1.514  18.177  18.177
  297   1HB   MET   6          2HB       MET   6  -1.234  20.379  20.379
  298   2HB   MET   6          1HB       MET   6  -2.601  19.925  19.925
  299   1HG   MET   6          2HG       MET   6  -1.442  18.119  18.119
  300   2HG   MET   6          1HG       MET   6  -0.256  18.063  18.063
  301   1HE   MET   6          2HE       MET   6  -1.893  20.062  20.062
  302   2HE   MET   6          1HE       MET   6  -0.723  19.270  19.270
  303   3HE   MET   6          3HE       MET   6  -0.647  21.019  21.019
  304    H    ARG   7           H        ARG   7  -4.543  19.074  19.074
  305    HA   ARG   7           HA       ARG   7  -4.866  16.580  16.580
  306   1HB   ARG   7          2HB       ARG   7  -6.056  18.947  18.947
  307   2HB   ARG   7          1HB       ARG   7  -7.271  18.191  18.191
  308   1HG   ARG   7          2HG       ARG   7  -6.934  16.150  16.150
  309   2HG   ARG   7          1HG       ARG   7  -6.376  17.417  17.417
  310   1HD   ARG   7          2HD       ARG   7  -8.790  18.285  18.285
  311   2HD   ARG   7          1HD       ARG   7  -9.054  16.705  16.705
  312    HE   ARG   7           HE       ARG   7  -8.880  17.695  17.695
  313   1HH1  ARG   7          1HH1      ARG   7  -7.662  19.887  19.887
  314   2HH1  ARG   7          2HH1      ARG   7  -7.512  21.211  21.211
  315   1HH2  ARG   7          1HH2      ARG   7  -8.668  19.446  19.446
  316   2HH2  ARG   7          2HH2      ARG   7  -8.075  20.965  20.965
  317    H    ARG   8           H        ARG   8  -5.855  17.805  17.805
  318    HA   ARG   8           HA       ARG   8  -7.684  15.714  15.714
  319   1HB   ARG   8          2HB       ARG   8  -6.250  17.833  17.833
  320   2HB   ARG   8          1HB       ARG   8  -6.973  16.489  16.489
  321   1HG   ARG   8          2HG       ARG   8  -8.643  17.770  17.770
  322   2HG   ARG   8          1HG       ARG   8  -8.371  18.695  18.695
  323   1HD   ARG   8          2HD       ARG   8  -8.949  16.319  16.319
  324   2HD   ARG   8          1HD       ARG   8  -9.854  16.142  16.142
  325    HE   ARG   8           HE       ARG   8 -10.490  18.655  18.655
  326   1HH1  ARG   8          1HH1      ARG   8 -10.823  15.293  15.293
  327   2HH1  ARG   8          2HH1      ARG   8 -12.262  15.570  15.570
  328   1HH2  ARG   8          1HH2      ARG   8 -12.368  18.970  18.970
  329   2HH2  ARG   8          2HH2      ARG   8 -13.132  17.633  17.633
  330    H    LYS   9           H        LYS   9  -4.322  16.310  16.310
  331    HA   LYS   9           HA       LYS   9  -3.985  13.862  13.862
  332   1HB   LYS   9          2HB       LYS   9  -2.484  16.033  16.033
  333   2HB   LYS   9          1HB       LYS   9  -1.670  15.163  15.163
  334   1HG   LYS   9          2HG       LYS   9  -0.501  14.506  14.506
  335   2HG   LYS   9          1HG       LYS   9  -1.599  13.163  13.163
  336   1HD   LYS   9          2HD       LYS   9  -2.169  13.449  13.449
  337   2HD   LYS   9          1HD       LYS   9  -3.194  14.729  14.729
  338   1HE   LYS   9          2HE       LYS   9  -0.398  15.541  15.541
  339   2HE   LYS   9          1HE       LYS   9  -1.299  15.104  15.104
  340   1HZ   LYS   9          3HZ       LYS   9  -2.526  16.867  16.867
  341   2HZ   LYS   9          2HZ       LYS   9  -1.417  17.507  17.507
  342   3HZ   LYS   9          1HZ       LYS   9  -2.839  16.756  16.756
  343    H    ASN  10           H        ASN  10  -3.344  14.820  14.820
  344    HA   ASN  10           HA       ASN  10  -2.088  12.429  12.429
  345   1HB   ASN  10          2HB       ASN  10  -3.461  14.693  14.693
  346   2HB   ASN  10          1HB       ASN  10  -3.160  13.217  13.217
  347   1HD2  ASN  10          2HD2      ASN  10   0.239  14.852  14.852
  348   2HD2  ASN  10          1HD2      ASN  10  -1.123  14.613  14.613
  349    H    ASP  11           H        ASP  11  -5.461  13.389  13.389
  350    HA   ASP  11           HA       ASP  11  -6.604  11.246  11.246
  351   1HB   ASP  11          2HB       ASP  11  -7.739  13.395  13.395
  352   2HB   ASP  11          1HB       ASP  11  -7.921  12.526  12.526
  353    H    THR  12           H        THR  12  -5.816  11.640  11.640
  354    HA   THR  12           HA       THR  12  -6.867   9.155   9.155
  355    HB   THR  12           HB       THR  12  -5.569   9.499   9.499
  356    HG1  THR  12           HG1      THR  12  -3.737  10.493  10.493
  357   1HG2  THR  12          3HG2      THR  12  -7.567  11.019  11.019
  358   2HG2  THR  12          2HG2      THR  12  -6.345  12.262  12.262
  359   3HG2  THR  12          1HG2      THR  12  -6.534  11.536  11.536
  360    H    HIS  13           H        HIS  13  -3.789  10.114  10.114
  361    HA   HIS  13           HA       HIS  13  -2.324   7.770   7.770
  362   1HB   HIS  13          2HB       HIS  13  -2.042   9.944   9.944
  363   2HB   HIS  13          1HB       HIS  13  -1.037   8.499   8.499
  364    HD1  HIS  13           HD1      HIS  13   0.227   7.868   7.868
  365    HD2  HIS  13           HD2      HIS  13  -0.994  11.818  11.818
  366    HE1  HIS  13           HE1      HIS  13   1.535   9.252   9.252
  367    H    GLN  14           H        GLN  14  -4.473   8.635   8.635
  368    HA   GLN  14           HA       GLN  14  -3.922   6.352   6.352
  369   1HB   GLN  14          2HB       GLN  14  -6.236   8.290   8.290
  370   2HB   GLN  14          1HB       GLN  14  -6.156   6.956   6.956
  371   1HG   GLN  14          2HG       GLN  14  -3.812   7.864   7.864
  372   2HG   GLN  14          1HG       GLN  14  -4.311   9.331   9.331
  373   1HE2  GLN  14          2HE2      GLN  14  -5.348   9.139   9.139
  374   2HE2  GLN  14          1HE2      GLN  14  -3.941   8.521   8.521
  375    H    GLN  15           H        GLN  15  -6.353   7.104   7.104
  376    HA   GLN  15           HA       GLN  15  -7.918   4.771   4.771
  377   1HB   GLN  15          2HB       GLN  15  -8.255   6.982   6.982
  378   2HB   GLN  15          1HB       GLN  15  -7.569   5.959   5.959
  379   1HG   GLN  15          2HG       GLN  15  -9.326   4.418   4.418
  380   2HG   GLN  15          1HG       GLN  15  -9.778   4.902   4.902
  381   1HE2  GLN  15          2HE2      GLN  15 -11.401   6.817   6.817
  382   2HE2  GLN  15          1HE2      GLN  15 -10.301   5.541   5.541
  383    H    ASP  16           H        ASP  16  -5.093   5.490   5.490
  384    HA   ASP  16           HA       ASP  16  -5.046   3.079   3.079
  385   1HB   ASP  16          2HB       ASP  16  -3.596   5.307   5.307
  386   2HB   ASP  16          1HB       ASP  16  -2.467   4.353   4.353
  387    H    ILE  17           H        ILE  17  -3.679   3.972   3.972
  388    HA   ILE  17           HA       ILE  17  -2.173   1.629   1.629
  389    HB   ILE  17           HB       ILE  17  -3.382   3.740   3.740
  390   1HG1  ILE  17          2HG1      ILE  17  -0.525   2.799   2.799
  391   2HG1  ILE  17          1HG1      ILE  17  -1.247   4.038   4.038
  392   1HG2  ILE  17          3HG2      ILE  17  -2.357   1.056   1.056
  393   2HG2  ILE  17          2HG2      ILE  17  -1.878   2.455   2.455
  394   3HG2  ILE  17          1HG2      ILE  17  -3.586   2.074   2.074
  395   1HD1  ILE  17          2HD1      ILE  17  -1.529   4.352   4.352
  396   2HD1  ILE  17          1HD1      ILE  17   0.051   4.679   4.679
  397   3HD1  ILE  17          3HD1      ILE  17  -1.363   5.586   5.586
  398    H    ASP  18           H        ASP  18  -5.128   2.457   2.457
  399    HA   ASP  18           HA       ASP  18  -5.760   0.003   0.003
  400   1HB   ASP  18          2HB       ASP  18  -7.318   2.431   2.431
  401   2HB   ASP  18          1HB       ASP  18  -8.270   0.960   0.960
  402    H    ASP  19           H        ASP  19  -6.246   1.128   1.128
  403    HA   ASP  19           HA       ASP  19  -8.033  -0.969  -0.969
  404   1HB   ASP  19          2HB       ASP  19  -7.784   1.232   1.232
  405   2HB   ASP  19          1HB       ASP  19  -6.207   0.680   0.680
  406    H    LEU  20           H        LEU  20  -4.543  -0.442  -0.442
  407    HA   LEU  20           HA       LEU  20  -3.893  -2.753  -2.753
  408   1HB   LEU  20          2HB       LEU  20  -2.315  -1.034  -1.034
  409   2HB   LEU  20          1HB       LEU  20  -1.608  -2.444  -2.444
  410    HG   LEU  20           HG       LEU  20  -3.025  -0.294  -0.294
  411   1HD1  LEU  20          3HD1      LEU  20  -0.194  -0.384  -0.384
  412   2HD1  LEU  20          2HD1      LEU  20  -0.571   0.429   0.429
  413   3HD1  LEU  20          1HD1      LEU  20  -1.319   0.975   0.975
  414   1HD2  LEU  20          3HD2      LEU  20  -2.594  -2.502  -2.502
  415   2HD2  LEU  20          2HD2      LEU  20  -1.670  -1.214  -1.214
  416   3HD2  LEU  20          1HD2      LEU  20  -0.877  -2.319  -2.319
  417    H    LYS  21           H        LYS  21  -4.162  -2.119  -2.119
  418    HA   LYS  21           HA       LYS  21  -3.208  -4.604  -4.604
  419   1HB   LYS  21          2HB       LYS  21  -3.610  -2.553  -2.553
  420   2HB   LYS  21          1HB       LYS  21  -5.336  -2.908  -2.908
  421   1HG   LYS  21          2HG       LYS  21  -4.853  -4.063  -4.063
  422   2HG   LYS  21          1HG       LYS  21  -4.466  -5.328  -5.328
  423   1HD   LYS  21          2HD       LYS  21  -2.570  -5.260  -5.260
  424   2HD   LYS  21          1HD       LYS  21  -2.084  -4.327  -4.327
  425   1HE   LYS  21          2HE       LYS  21  -1.473  -2.818  -2.818
  426   2HE   LYS  21          1HE       LYS  21  -3.158  -2.334  -2.334
  427   1HZ   LYS  21          1HZ       LYS  21  -2.229  -4.351  -4.351
  428   2HZ   LYS  21          3HZ       LYS  21  -2.455  -2.711  -2.711
  429   3HZ   LYS  21          2HZ       LYS  21  -3.778  -3.663  -3.663
  430    H    ARG  22           H        ARG  22  -6.348  -3.560  -3.560
  431    HA   ARG  22           HA       ARG  22  -7.875  -5.764  -5.764
  432   1HB   ARG  22          2HB       ARG  22  -8.780  -3.591  -3.591
  433   2HB   ARG  22          1HB       ARG  22  -8.368  -4.201  -4.201
  434   1HG   ARG  22          2HG       ARG  22  -9.728  -6.288  -6.288
  435   2HG   ARG  22          1HG       ARG  22 -10.344  -5.351  -5.351
  436   1HD   ARG  22          2HD       ARG  22 -11.943  -4.899  -4.899
  437   2HD   ARG  22          1HD       ARG  22 -10.846  -3.535  -3.535
  438    HE   ARG  22           HE       ARG  22  -9.875  -5.441  -5.441
  439   1HH1  ARG  22          1HH1      ARG  22 -12.964  -3.861  -3.861
  440   2HH1  ARG  22          2HH1      ARG  22 -13.401  -3.973  -3.973
  441   1HH2  ARG  22          1HH2      ARG  22 -10.486  -5.566  -5.566
  442   2HH2  ARG  22          2HH2      ARG  22 -12.011  -4.929  -4.929
  443    H    GLN  23           H        GLN  23  -6.453  -5.113  -5.113
  444    HA   GLN  23           HA       GLN  23  -7.082  -7.634  -7.634
  445   1HB   GLN  23          2HB       GLN  23  -6.066  -5.331  -5.331
  446   2HB   GLN  23          1HB       GLN  23  -4.605  -6.320  -6.320
  447   1HG   GLN  23          2HG       GLN  23  -7.219  -7.215  -7.215
  448   2HG   GLN  23          1HG       GLN  23  -5.866  -6.538  -6.538
  449   1HE2  GLN  23          2HE2      GLN  23  -3.920  -9.495  -9.495
  450   2HE2  GLN  23          1HE2      GLN  23  -3.938  -7.849  -7.849
  451    H    ASN  24           H        ASN  24  -4.171  -6.421  -6.421
  452    HA   ASN  24           HA       ASN  24  -2.576  -8.722  -8.722
  453   1HB   ASN  24          2HB       ASN  24  -2.543  -6.695  -6.695
  454   2HB   ASN  24          1HB       ASN  24  -1.263  -7.857  -7.857
  455   1HD2  ASN  24          2HD2      ASN  24   0.069  -5.092  -5.092
  456   2HD2  ASN  24          1HD2      ASN  24   0.136  -5.882  -5.882
  457    H    ALA  25           H        ALA  25  -5.022  -7.865  -7.865
  458    HA   ALA  25           HA       ALA  25  -4.486  -9.970  -9.970
  459   1HB   ALA  25          2HB       ALA  25  -6.948  -8.306  -8.306
  460   2HB   ALA  25          1HB       ALA  25  -6.892  -9.542  -9.542
  461   3HB   ALA  25          3HB       ALA  25  -5.805  -8.154  -8.154
  462    H    LEU  26           H        LEU  26  -6.388  -9.722  -9.722
  463    HA   LEU  26           HA       LEU  26  -7.827 -12.167 -12.167
  464   1HB   LEU  26          2HB       LEU  26  -7.498 -10.131 -10.131
  465   2HB   LEU  26          1HB       LEU  26  -7.687 -11.760 -11.760
  466    HG   LEU  26           HG       LEU  26  -9.874 -10.653 -10.653
  467   1HD1  LEU  26          3HD1      LEU  26  -9.098 -13.152 -13.152
  468   2HD1  LEU  26          2HD1      LEU  26 -10.558 -12.453 -12.453
  469   3HD1  LEU  26          1HD1      LEU  26 -10.489 -12.805 -12.805
  470   1HD2  LEU  26          2HD2      LEU  26  -8.922  -9.354  -9.354
  471   2HD2  LEU  26          1HD2      LEU  26 -10.639  -9.746  -9.746
  472   3HD2  LEU  26          3HD2      LEU  26  -9.555 -10.737 -10.737
  473    H    LEU  27           H        LEU  27  -4.798 -11.273 -11.273
  474    HA   LEU  27           HA       LEU  27  -4.275 -13.752 -13.752
  475   1HB   LEU  27          2HB       LEU  27  -2.503 -11.496 -11.496
  476   2HB   LEU  27          1HB       LEU  27  -1.828 -12.959 -12.959
  477    HG   LEU  27           HG       LEU  27  -4.087 -11.571 -11.571
  478   1HD1  LEU  27          2HD1      LEU  27  -1.220 -10.652 -10.652
  479   2HD1  LEU  27          1HD1      LEU  27  -2.178 -10.353 -10.353
  480   3HD1  LEU  27          3HD1      LEU  27  -2.695  -9.690  -9.690
  481   1HD2  LEU  27          3HD2      LEU  27  -2.918 -13.840 -13.840
  482   2HD2  LEU  27          2HD2      LEU  27  -3.244 -12.683 -12.683
  483   3HD2  LEU  27          1HD2      LEU  27  -1.622 -12.811 -12.811
  484    H    GLU  28           H        GLU  28  -3.044 -12.424 -12.424
  485    HA   GLU  28           HA       GLU  28  -1.645 -14.707 -14.707
  486   1HB   GLU  28          2HB       GLU  28  -1.463 -12.438 -12.438
  487   2HB   GLU  28          1HB       GLU  28  -3.046 -12.686 -12.686
  488   1HG   GLU  28          2HG       GLU  28  -1.821 -13.519 -13.519
  489   2HG   GLU  28          1HG       GLU  28  -1.807 -14.983 -14.983
  490    H    GLN  29           H        GLN  29  -4.998 -13.702 -13.702
  491    HA   GLN  29           HA       GLN  29  -5.795 -15.696 -15.696
  492   1HB   GLN  29          2HB       GLN  29  -7.165 -13.710 -13.710
  493   2HB   GLN  29          1HB       GLN  29  -7.521 -14.595 -14.595
  494   1HG   GLN  29          2HG       GLN  29  -9.341 -15.129 -15.129
  495   2HG   GLN  29          1HG       GLN  29  -8.267 -16.517 -16.517
  496   1HE2  GLN  29          2HE2      GLN  29  -9.077 -14.195 -14.195
  497   2HE2  GLN  29          1HE2      GLN  29  -9.808 -13.921 -13.921
  498    H    GLN  30           H        GLN  30  -5.605 -15.768 -15.768
  499    HA   GLN  30           HA       GLN  30  -6.724 -18.414 -18.414
  500   1HB   GLN  30          2HB       GLN  30  -5.243 -16.636 -16.636
  501   2HB   GLN  30          1HB       GLN  30  -5.813 -18.251 -18.251
  502   1HG   GLN  30          2HG       GLN  30  -7.630 -16.119 -16.119
  503   2HG   GLN  30          1HG       GLN  30  -7.400 -16.350 -16.350
  504   1HE2  GLN  30          2HE2      GLN  30  -9.760 -18.913 -18.913
  505   2HE2  GLN  30          1HE2      GLN  30  -8.984 -17.613 -17.613
  506    H    VAL  31           H        VAL  31  -3.528 -16.996 -16.996
  507    HA   VAL  31           HA       VAL  31  -2.067 -19.368 -19.368
  508    HB   VAL  31           HB       VAL  31  -1.170 -16.958 -16.958
  509   1HG1  VAL  31          2HG1      VAL  31   0.220 -19.312 -19.312
  510   2HG1  VAL  31          1HG1      VAL  31   1.055 -17.760 -17.760
  511   3HG1  VAL  31          3HG1      VAL  31   0.511 -18.538 -18.538
  512   1HG2  VAL  31          3HG2      VAL  31  -2.089 -16.932 -16.932
  513   2HG2  VAL  31          2HG2      VAL  31  -0.890 -15.810 -15.810
  514   3HG2  VAL  31          1HG2      VAL  31  -0.371 -17.245 -17.245
  515    H    ARG  32           H        ARG  32  -3.380 -17.980 -17.980
  516    HA   ARG  32           HA       ARG  32  -1.986 -19.670 -19.670
  517   1HB   ARG  32          2HB       ARG  32  -4.324 -17.825 -17.825
  518   2HB   ARG  32          1HB       ARG  32  -4.137 -19.023 -19.023
  519   1HG   ARG  32          2HG       ARG  32  -1.687 -17.530 -17.530
  520   2HG   ARG  32          1HG       ARG  32  -2.920 -16.619 -16.619
  521   1HD   ARG  32          2HD       ARG  32  -2.886 -18.857 -18.857
  522   2HD   ARG  32          1HD       ARG  32  -1.223 -18.879 -18.879
  523    HE   ARG  32           HE       ARG  32  -2.365 -17.020 -17.020
  524   1HH1  ARG  32          1HH1      ARG  32   0.132 -17.487 -17.487
  525   2HH1  ARG  32          2HH1      ARG  32   1.175 -16.289 -16.289
  526   1HH2  ARG  32          1HH2      ARG  32  -0.975 -15.467 -15.467
  527   2HH2  ARG  32          2HH2      ARG  32   0.555 -15.155 -15.155
  528    H    ALA  33           H        ALA  33  -5.047 -19.885 -19.885
  529    HA   ALA  33           HA       ALA  33  -6.126 -22.112 -22.112
  530   1HB   ALA  33          1HB       ALA  33  -7.158 -20.505 -20.505
  531   2HB   ALA  33          3HB       ALA  33  -6.595 -21.762 -21.762
  532   3HB   ALA  33          2HB       ALA  33  -7.742 -22.160 -22.160
  533    H    LEU  34           H        LEU  34  -3.849 -21.825 -21.825
  534    HA   LEU  34           HA       LEU  34  -3.751 -24.728 -24.728
  535   1HB   LEU  34          2HB       LEU  34  -2.818 -22.364 -22.364
  536   2HB   LEU  34          1HB       LEU  34  -1.794 -23.794 -23.794
  537    HG   LEU  34           HG       LEU  34  -3.487 -23.781 -23.781
  538   1HD1  LEU  34          1HD1      LEU  34  -3.104 -25.891 -25.891
  539   2HD1  LEU  34          3HD1      LEU  34  -4.714 -25.998 -25.998
  540   3HD1  LEU  34          2HD1      LEU  34  -3.290 -26.011 -26.011
  541   1HD2  LEU  34          2HD2      LEU  34  -5.157 -22.632 -22.632
  542   2HD2  LEU  34          1HD2      LEU  34  -5.730 -23.466 -23.466
  543   3HD2  LEU  34          3HD2      LEU  34  -5.709 -24.303 -24.303
  544   1HN   NH2  35          1HT       LEU  34  -1.166 -22.240 -22.240
  545   2HN   NH2  35          2HT       LEU  34  -0.203 -23.204 -23.204

  Start of MODEL   19
    1   1H    ACE   2          1HA       ACE   2  -3.816  26.032  26.032
    2   2H    ACE   2          2HA       ACE   2  -4.067  25.550  25.550
    3   3H    ACE   2          3HA       ACE   2  -2.562  26.337  26.337
    4    H    CYS   3           H        CYS   3  -4.514  23.575  23.575
    5    HA   CYS   3           HA       CYS   3  -3.969  21.406  21.406
    6   1HB   CYS   3          2HB       CYS   3  -1.944  22.104  22.104
    7   2HB   CYS   3          1HB       CYS   3  -1.699  20.631  20.631
    8    H    GLY   4           H        GLY   4  -0.634  22.600  22.600
    9   1HA   GLY   4          2HA       GLY   4   0.882  23.158  23.158
   10   2HA   GLY   4          1HA       GLY   4  -0.339  22.740  22.740
   11    H    GLY   5           H        GLY   5   2.588  21.865  21.865
   12   1HA   GLY   5          2HA       GLY   5   3.906  19.991  19.991
   13   2HA   GLY   5          1HA       GLY   5   2.695  19.417  19.417
   14    H    VAL   6           H        VAL   6   1.951  20.179  20.179
   15    HA   VAL   6           HA       VAL   6   0.870  17.547  17.547
   16    HB   VAL   6           HB       VAL   6  -0.160  19.568  19.568
   17   1HG1  VAL   6          3HG1      VAL   6   2.305  20.459  20.459
   18   2HG1  VAL   6          2HG1      VAL   6   1.975  19.703  19.703
   19   3HG1  VAL   6          1HG1      VAL   6   0.914  20.974  20.974
   20   1HG2  VAL   6          1HG2      VAL   6   0.695  17.198  17.198
   21   2HG2  VAL   6          3HG2      VAL   6  -0.922  17.852  17.852
   22   3HG2  VAL   6          2HG2      VAL   6   0.125  18.560  18.560
   23    H    GLN   7           H        GLN   7   3.791  19.275  19.275
   24    HA   GLN   7           HA       GLN   7   4.727  17.393  17.393
   25   1HB   GLN   7          2HB       GLN   7   5.507  19.870  19.870
   26   2HB   GLN   7          1HB       GLN   7   6.655  19.016  19.016
   27   1HG   GLN   7          2HG       GLN   7   6.960  17.526  17.526
   28   2HG   GLN   7          1HG       GLN   7   6.408  19.003  19.003
   29   1HE2  GLN   7          2HE2      GLN   7   9.448  20.707  20.707
   30   2HE2  GLN   7          1HE2      GLN   7   7.893  20.732  20.732
   31    H    ALA   8           H        ALA   8   4.992  17.689  17.689
   32    HA   ALA   8           HA       ALA   8   7.061  15.763  15.763
   33   1HB   ALA   8          2HB       ALA   8   6.250  17.500  17.500
   34   2HB   ALA   8          1HB       ALA   8   4.907  16.403  16.403
   35   3HB   ALA   8          3HB       ALA   8   6.563  15.880  15.880
   36    H    GLU   9           H        GLU   9   3.531  15.557  15.557
   37    HA   GLU   9           HA       GLU   9   3.455  12.790  12.790
   38   1HB   GLU   9          2HB       GLU   9   1.043  12.952  12.952
   39   2HB   GLU   9          1HB       GLU   9   1.556  14.210  14.210
   40   1HG   GLU   9          2HG       GLU   9   1.700  15.837  15.837
   41   2HG   GLU   9          1HG       GLU   9   1.385  14.592  14.592
   42    H    GLU  10           H        GLU  10   3.500  14.616  14.616
   43    HA   GLU  10           HA       GLU  10   2.635  12.608  12.608
   44   1HB   GLU  10          2HB       GLU  10   3.000  15.066  15.066
   45   2HB   GLU  10          1HB       GLU  10   4.723  14.697  14.697
   46   1HG   GLU  10          2HG       GLU  10   3.860  12.747  12.747
   47   2HG   GLU  10          1HG       GLU  10   2.488  13.837  13.837
   48    H    GLN  11           H        GLN  11   5.972  13.619  13.619
   49    HA   GLN  11           HA       GLN  11   7.248  11.528  11.528
   50   1HB   GLN  11          2HB       GLN  11   9.220  12.060  12.060
   51   2HB   GLN  11          1HB       GLN  11   8.499  13.489  13.489
   52   1HG   GLN  11          2HG       GLN  11   7.372  14.076  14.076
   53   2HG   GLN  11          1HG       GLN  11   7.818  12.542  12.542
   54   1HE2  GLN  11          2HE2      GLN  11  10.610  14.189  14.189
   55   2HE2  GLN  11          1HE2      GLN  11   9.189  13.307  13.307
   56    H    LYS  12           H        LYS  12   5.849  11.694  11.694
   57    HA   LYS  12           HA       LYS  12   7.056   9.246   9.246
   58   1HB   LYS  12          2HB       LYS  12   5.962  11.313  11.313
   59   2HB   LYS  12          1HB       LYS  12   4.553  10.256  10.256
   60   1HG   LYS  12          2HG       LYS  12   7.240   9.201   9.201
   61   2HG   LYS  12          1HG       LYS  12   6.156   9.989   9.989
   62   1HD   LYS  12          2HD       LYS  12   4.366   8.343   8.343
   63   2HD   LYS  12          1HD       LYS  12   5.789   7.409   7.409
   64   1HE   LYS  12          2HE       LYS  12   5.247   6.568   6.568
   65   2HE   LYS  12          1HE       LYS  12   6.537   7.726   7.726
   66   1HZ   LYS  12          2HZ       LYS  12   4.721   9.399   9.399
   67   2HZ   LYS  12          1HZ       LYS  12   3.622   8.104   8.104
   68   3HZ   LYS  12          3HZ       LYS  12   4.837   8.177   8.177
   69    H    LEU  13           H        LEU  13   4.076  10.186  10.186
   70    HA   LEU  13           HA       LEU  13   2.721   7.690   7.690
   71   1HB   LEU  13          2HB       LEU  13   2.257  10.031  10.031
   72   2HB   LEU  13          1HB       LEU  13   1.267   8.572   8.572
   73    HG   LEU  13           HG       LEU  13   1.725   9.939   9.939
   74   1HD1  LEU  13          2HD1      LEU  13   0.066  10.876  10.876
   75   2HD1  LEU  13          1HD1      LEU  13  -0.681  10.926  10.926
   76   3HD1  LEU  13          3HD1      LEU  13   0.819  11.804  11.804
   77   1HD2  LEU  13          3HD2      LEU  13   0.509   7.611   7.611
   78   2HD2  LEU  13          2HD2      LEU  13  -0.015   8.618   8.618
   79   3HD2  LEU  13          1HD2      LEU  13  -0.855   8.712   8.712
   80    H    ILE  14           H        ILE  14   4.596   9.122   9.122
   81    HA   ILE  14           HA       ILE  14   4.210   7.043   7.043
   82    HB   ILE  14           HB       ILE  14   6.592   8.896   8.896
   83   1HG1  ILE  14          2HG1      ILE  14   4.293   9.309   9.309
   84   2HG1  ILE  14          1HG1      ILE  14   4.127   9.818   9.818
   85   1HG2  ILE  14          2HG2      ILE  14   6.339   6.705   6.705
   86   2HG2  ILE  14          1HG2      ILE  14   5.698   7.993   7.993
   87   3HG2  ILE  14          3HG2      ILE  14   7.329   8.120   8.120
   88   1HD1  ILE  14          1HD1      ILE  14   6.351  10.663  10.663
   89   2HD1  ILE  14          3HD1      ILE  14   4.980  11.662  11.662
   90   3HD1  ILE  14          2HD1      ILE  14   6.178  11.172  11.172
   91    H    SER  15           H        SER  15   6.893   7.675   7.675
   92    HA   SER  15           HA       SER  15   8.432   5.422   5.422
   93   1HB   SER  15          2HB       SER  15   9.316   7.229   7.229
   94   2HB   SER  15          1HB       SER  15   8.151   6.864   6.864
   95    HG   SER  15           HG       SER  15   9.309   5.190   5.190
   96    H    GLU  16           H        GLU  16   5.863   5.839   5.839
   97    HA   GLU  16           HA       GLU  16   6.037   3.205   3.205
   98   1HB   GLU  16          2HB       GLU  16   4.904   5.186   5.186
   99   2HB   GLU  16          1HB       GLU  16   3.573   4.955   4.955
  100   1HG   GLU  16          2HG       GLU  16   3.022   2.842   2.842
  101   2HG   GLU  16          1HG       GLU  16   4.590   2.664   2.664
  102    H    GLU  17           H        GLU  17   3.917   4.708   4.708
  103    HA   GLU  17           HA       GLU  17   2.364   2.419   2.419
  104   1HB   GLU  17          2HB       GLU  17   1.919   4.846   4.846
  105   2HB   GLU  17          1HB       GLU  17   3.042   4.544   4.544
  106   1HG   GLU  17          2HG       GLU  17   1.548   2.383   2.383
  107   2HG   GLU  17          1HG       GLU  17   0.342   3.352   3.352
  108    H    ASP  18           H        ASP  18   5.487   3.523   3.523
  109    HA   ASP  18           HA       ASP  18   5.751   1.841   1.841
  110   1HB   ASP  18          2HB       ASP  18   7.270   3.790   3.790
  111   2HB   ASP  18          1HB       ASP  18   8.067   2.587   2.587
  112    H    LEU  19           H        LEU  19   6.478   1.347   1.347
  113    HA   LEU  19           HA       LEU  19   7.756  -1.161  -1.161
  114   1HB   LEU  19          2HB       LEU  19   7.391   0.485   0.485
  115   2HB   LEU  19          1HB       LEU  19   6.059  -0.628  -0.628
  116    HG   LEU  19           HG       LEU  19   8.881  -1.569  -1.569
  117   1HD1  LEU  19          1HD1      LEU  19   8.379  -0.064  -0.064
  118   2HD1  LEU  19          3HD1      LEU  19   7.698  -1.570  -1.570
  119   3HD1  LEU  19          2HD1      LEU  19   9.391  -1.502  -1.502
  120   1HD2  LEU  19          2HD2      LEU  19   6.279  -2.807  -2.807
  121   2HD2  LEU  19          1HD2      LEU  19   7.504  -3.412  -3.412
  122   3HD2  LEU  19          3HD2      LEU  19   7.771  -3.511  -3.511
  123    H    LEU  20           H        LEU  20   4.373  -0.329  -0.329
  124    HA   LEU  20           HA       LEU  20   3.415  -2.990  -2.990
  125   1HB   LEU  20          2HB       LEU  20   2.178  -0.289  -0.289
  126   2HB   LEU  20          1HB       LEU  20   1.196  -1.681  -1.681
  127    HG   LEU  20           HG       LEU  20   2.718  -1.591  -1.591
  128   1HD1  LEU  20          1HD1      LEU  20  -0.118  -0.680  -0.680
  129   2HD1  LEU  20          3HD1      LEU  20   0.556  -0.918  -0.918
  130   3HD1  LEU  20          2HD1      LEU  20   1.213   0.333   0.333
  131   1HD2  LEU  20          1HD2      LEU  20   1.778  -3.750  -3.750
  132   2HD2  LEU  20          3HD2      LEU  20   1.304  -3.404  -3.404
  133   3HD2  LEU  20          2HD2      LEU  20   0.184  -3.079  -3.079
  134    H    ARG  21           H        ARG  21   3.932  -0.698  -0.698
  135    HA   ARG  21           HA       ARG  21   2.430  -1.972  -1.972
  136   1HB   ARG  21          2HB       ARG  21   4.784  -0.109  -0.109
  137   2HB   ARG  21          1HB       ARG  21   4.257  -0.858  -0.858
  138   1HG   ARG  21          2HG       ARG  21   2.093   0.119   0.119
  139   2HG   ARG  21          1HG       ARG  21   2.329   0.571   0.571
  140   1HD   ARG  21          2HD       ARG  21   2.565   2.502   2.502
  141   2HD   ARG  21          1HD       ARG  21   4.012   2.204   2.204
  142    HE   ARG  21           HE       ARG  21   4.325   0.776   0.776
  143   1HH1  ARG  21          1HH1      ARG  21   3.927   4.117   4.117
  144   2HH1  ARG  21          2HH1      ARG  21   4.828   4.731   4.731
  145   1HH2  ARG  21          1HH2      ARG  21   5.494   1.619   1.619
  146   2HH2  ARG  21          2HH2      ARG  21   5.709   3.331   3.331
  147    H    LYS  22           H        LYS  22   5.674  -2.512  -2.512
  148    HA   LYS  22           HA       LYS  22   6.528  -4.304  -4.304
  149   1HB   LYS  22          2HB       LYS  22   7.983  -3.080  -3.080
  150   2HB   LYS  22          1HB       LYS  22   7.515  -4.365  -4.365
  151   1HG   LYS  22          2HG       LYS  22   8.696  -5.979  -5.979
  152   2HG   LYS  22          1HG       LYS  22   8.485  -5.181  -5.181
  153   1HD   LYS  22          2HD       LYS  22  10.025  -3.336  -3.336
  154   2HD   LYS  22          1HD       LYS  22  10.440  -4.502  -4.502
  155   1HE   LYS  22          2HE       LYS  22  10.734  -6.083  -6.083
  156   2HE   LYS  22          1HE       LYS  22  11.112  -4.524  -4.524
  157   1HZ   LYS  22          2HZ       LYS  22  12.360  -5.543  -5.543
  158   2HZ   LYS  22          1HZ       LYS  22  13.063  -5.671  -5.671
  159   3HZ   LYS  22          3HZ       LYS  22  12.792  -4.143  -4.143
  160    H    ARG  23           H        ARG  23   5.062  -4.751  -4.751
  161    HA   ARG  23           HA       ARG  23   5.102  -7.595  -7.595
  162   1HB   ARG  23          2HB       ARG  23   4.581  -5.815  -5.815
  163   2HB   ARG  23          1HB       ARG  23   2.924  -6.193  -6.193
  164   1HG   ARG  23          2HG       ARG  23   4.835  -8.462  -8.462
  165   2HG   ARG  23          1HG       ARG  23   4.191  -7.663  -7.663
  166   1HD   ARG  23          2HD       ARG  23   1.902  -8.049  -8.049
  167   2HD   ARG  23          1HD       ARG  23   2.514  -8.791  -8.791
  168    HE   ARG  23           HE       ARG  23   2.263 -10.051 -10.051
  169   1HH1  ARG  23          1HH1      ARG  23   4.210  -9.963  -9.963
  170   2HH1  ARG  23          2HH1      ARG  23   4.760 -11.592 -11.592
  171   1HH2  ARG  23          1HH2      ARG  23   3.005 -12.171 -12.171
  172   2HH2  ARG  23          2HH2      ARG  23   4.085 -12.834 -12.834
  173    H    ARG  24           H        ARG  24   2.651  -5.189  -5.189
  174    HA   ARG  24           HA       ARG  24   0.564  -6.973  -6.973
  175   1HB   ARG  24          2HB       ARG  24   0.814  -4.255  -4.255
  176   2HB   ARG  24          1HB       ARG  24   0.764  -4.558  -4.558
  177   1HG   ARG  24          2HG       ARG  24  -1.230  -6.204  -6.204
  178   2HG   ARG  24          1HG       ARG  24  -1.410  -4.567  -4.567
  179   1HD   ARG  24          2HD       ARG  24  -1.400  -5.413  -5.413
  180   2HD   ARG  24          1HD       ARG  24  -2.754  -4.750  -4.750
  181    HE   ARG  24           HE       ARG  24  -0.455  -2.996  -2.996
  182   1HH1  ARG  24          1HH1      ARG  24  -3.375  -4.011  -4.011
  183   2HH1  ARG  24          2HH1      ARG  24  -3.543  -2.521  -2.521
  184   1HH2  ARG  24          1HH2      ARG  24  -0.709  -1.072  -1.072
  185   2HH2  ARG  24          2HH2      ARG  24  -2.047  -0.871  -0.871
  186    H    GLU  25           H        GLU  25   3.310  -5.812  -5.812
  187    HA   GLU  25           HA       GLU  25   2.507  -6.716  -6.716
  188   1HB   GLU  25          2HB       GLU  25   5.117  -6.035  -6.035
  189   2HB   GLU  25          1HB       GLU  25   5.144  -6.929  -6.929
  190   1HG   GLU  25          2HG       GLU  25   3.480  -5.152  -5.152
  191   2HG   GLU  25          1HG       GLU  25   3.967  -4.206  -4.206
  192    H    GLN  26           H        GLN  26   4.405  -8.298  -8.298
  193    HA   GLN  26           HA       GLN  26   4.953 -10.692 -10.692
  194   1HB   GLN  26          2HB       GLN  26   4.657 -10.153 -10.153
  195   2HB   GLN  26          1HB       GLN  26   5.239 -11.676 -11.676
  196   1HG   GLN  26          2HG       GLN  26   7.214 -10.738 -10.738
  197   2HG   GLN  26          1HG       GLN  26   6.522  -9.120  -9.120
  198   1HE2  GLN  26          2HE2      GLN  26   7.978 -10.436 -10.436
  199   2HE2  GLN  26          1HE2      GLN  26   7.649 -11.559 -11.559
  200    H    LEU  27           H        LEU  27   2.268  -9.775  -9.775
  201    HA   LEU  27           HA       LEU  27   0.966 -12.303 -12.303
  202   1HB   LEU  27          2HB       LEU  27  -0.250  -9.569  -9.569
  203   2HB   LEU  27          1HB       LEU  27  -0.969 -11.119 -11.119
  204    HG   LEU  27           HG       LEU  27   1.723 -10.197 -10.197
  205   1HD1  LEU  27          3HD1      LEU  27  -1.064  -9.673  -9.673
  206   2HD1  LEU  27          2HD1      LEU  27   0.195  -9.977  -9.977
  207   3HD1  LEU  27          1HD1      LEU  27   0.359  -8.633  -8.633
  208   1HD2  LEU  27          3HD2      LEU  27  -0.197 -12.439 -12.439
  209   2HD2  LEU  27          2HD2      LEU  27   1.493 -12.565 -12.565
  210   3HD2  LEU  27          1HD2      LEU  27   1.078 -11.938 -11.938
  211    H    LYS  28           H        LYS  28   0.888  -9.487  -9.487
  212    HA   LYS  28           HA       LYS  28  -1.403 -10.399 -10.399
  213   1HB   LYS  28          2HB       LYS  28  -0.736  -7.965  -7.965
  214   2HB   LYS  28          1HB       LYS  28   0.586  -8.280  -8.280
  215   1HG   LYS  28          2HG       LYS  28  -0.837  -8.589  -8.589
  216   2HG   LYS  28          1HG       LYS  28  -2.180  -9.112  -9.112
  217   1HD   LYS  28          2HD       LYS  28  -1.128  -6.285  -6.285
  218   2HD   LYS  28          1HD       LYS  28  -2.356  -6.767  -6.767
  219   1HE   LYS  28          2HE       LYS  28  -3.516  -7.803  -7.803
  220   2HE   LYS  28          1HE       LYS  28  -2.547  -6.587  -6.587
  221   1HZ   LYS  28          2HZ       LYS  28  -4.313  -5.990  -5.990
  222   2HZ   LYS  28          1HZ       LYS  28  -4.792  -5.820  -5.820
  223   3HZ   LYS  28          3HZ       LYS  28  -3.524  -4.874  -4.874
  224    H    HIS  29           H        HIS  29   2.092 -10.550 -10.550
  225    HA   HIS  29           HA       HIS  29   2.319 -11.326 -11.326
  226   1HB   HIS  29          2HB       HIS  29   4.058 -11.841 -11.841
  227   2HB   HIS  29          1HB       HIS  29   4.487 -12.416 -12.416
  228    HD1  HIS  29           HD1      HIS  29   3.521  -9.981  -9.981
  229    HD2  HIS  29           HD2      HIS  29   5.795  -9.666  -9.666
  230    HE1  HIS  29           HE1      HIS  29   4.681  -7.733  -7.733
  231    H    LYS  30           H        LYS  30   1.542 -13.115 -13.115
  232    HA   LYS  30           HA       LYS  30   1.768 -15.700 -15.700
  233   1HB   LYS  30          2HB       LYS  30   2.112 -15.110 -15.110
  234   2HB   LYS  30          1HB       LYS  30   0.360 -15.304 -15.304
  235   1HG   LYS  30          2HG       LYS  30   0.452 -17.562 -17.562
  236   2HG   LYS  30          1HG       LYS  30   2.055 -17.394 -17.394
  237   1HD   LYS  30          2HD       LYS  30   1.646 -16.938 -16.938
  238   2HD   LYS  30          1HD       LYS  30   1.861 -18.571 -18.571
  239   1HE   LYS  30          2HE       LYS  30   3.774 -16.295 -16.295
  240   2HE   LYS  30          1HE       LYS  30   4.003 -17.445 -17.445
  241   1HZ   LYS  30          2HZ       LYS  30   3.775 -19.220 -19.220
  242   2HZ   LYS  30          1HZ       LYS  30   3.967 -17.980 -17.980
  243   3HZ   LYS  30          3HZ       LYS  30   5.205 -18.303 -18.303
  244    H    LEU  31           H        LEU  31  -0.842 -13.651 -13.651
  245    HA   LEU  31           HA       LEU  31  -2.968 -15.361 -15.361
  246   1HB   LEU  31          2HB       LEU  31  -2.800 -13.080 -13.080
  247   2HB   LEU  31          1HB       LEU  31  -3.538 -12.460 -12.460
  248    HG   LEU  31           HG       LEU  31  -5.270 -13.180 -13.180
  249   1HD1  LEU  31          1HD1      LEU  31  -5.496 -13.544 -13.544
  250   2HD1  LEU  31          3HD1      LEU  31  -5.138 -15.242 -15.242
  251   3HD1  LEU  31          2HD1      LEU  31  -6.570 -14.495 -14.495
  252   1HD2  LEU  31          3HD2      LEU  31  -3.627 -15.000 -15.000
  253   2HD2  LEU  31          2HD2      LEU  31  -5.364 -15.308 -15.308
  254   3HD2  LEU  31          1HD2      LEU  31  -4.349 -16.027 -16.027
  255    H    GLU  32           H        GLU  32  -1.466 -12.546 -12.546
  256    HA   GLU  32           HA       GLU  32  -3.166 -12.429 -12.429
  257   1HB   GLU  32          2HB       GLU  32  -1.441 -10.696 -10.696
  258   2HB   GLU  32          1HB       GLU  32  -0.239 -11.700 -11.700
  259   1HG   GLU  32          2HG       GLU  32  -1.105 -11.269 -11.269
  260   2HG   GLU  32          1HG       GLU  32  -2.730 -10.965 -10.965
  261    H    GLN  33           H        GLN  33  -0.362 -14.398 -14.398
  262    HA   GLN  33           HA       GLN  33   0.243 -15.317 -15.317
  263   1HB   GLN  33          2HB       GLN  33   1.406 -15.697 -15.697
  264   2HB   GLN  33          1HB       GLN  33   0.513 -17.215 -17.215
  265   1HG   GLN  33          2HG       GLN  33   1.489 -17.301 -17.301
  266   2HG   GLN  33          1HG       GLN  33   2.686 -16.176 -16.176
  267   1HE2  GLN  33          2HE2      GLN  33   3.597 -19.868 -19.868
  268   2HE2  GLN  33          1HE2      GLN  33   2.939 -19.120 -19.120
  269    H    LEU  34           H        LEU  34  -2.208 -16.267 -16.267
  270    HA   LEU  34           HA       LEU  34  -4.020 -17.669 -17.669
  271   1HB   LEU  34          2HB       LEU  34  -3.441 -17.368 -17.368
  272   2HB   LEU  34          1HB       LEU  34  -4.867 -18.176 -18.176
  273    HG   LEU  34           HG       LEU  34  -4.265 -15.456 -15.456
  274   1HD1  LEU  34          2HD1      LEU  34  -3.904 -15.394 -15.394
  275   2HD1  LEU  34          1HD1      LEU  34  -5.606 -15.827 -15.827
  276   3HD1  LEU  34          3HD1      LEU  34  -5.150 -14.313 -14.313
  277   1HD2  LEU  34          1HD2      LEU  34  -6.249 -17.101 -17.101
  278   2HD2  LEU  34          3HD2      LEU  34  -6.586 -15.382 -15.382
  279   3HD2  LEU  34          2HD2      LEU  34  -6.896 -16.504 -16.504
  280   1HN   NH2  35          1HT       LEU  34  -2.329 -19.044 -19.044
  281   2HN   NH2  35          2HT       LEU  34  -2.025 -20.548 -20.548
  282   1H    ACE   2          1HA       ACE   2  -2.180  26.646  26.646
  283   2H    ACE   2          2HA       ACE   2  -3.762  26.410  26.410
  284   3H    ACE   2          3HA       ACE   2  -2.488  27.242  27.242
  285    H    CYS   3           H        CYS   3  -3.988  24.276  24.276
  286    HA   CYS   3           HA       CYS   3  -1.841  22.857  22.857
  287   1HB   CYS   3          2HB       CYS   3  -2.483  20.800  20.800
  288   2HB   CYS   3          1HB       CYS   3  -1.751  22.055  22.055
  289    H    GLY   4           H        GLY   4  -3.281  23.649  23.649
  290   1HA   GLY   4          2HA       GLY   4  -5.819  22.240  22.240
  291   2HA   GLY   4          1HA       GLY   4  -5.132  23.415  23.415
  292    H    GLY   5           H        GLY   5  -5.254  20.072  20.072
  293   1HA   GLY   5          2HA       GLY   5  -5.143  18.556  18.556
  294   2HA   GLY   5          1HA       GLY   5  -3.598  19.337  19.337
  295    H    MET   6           H        MET   6  -2.646  19.511  19.511
  296    HA   MET   6           HA       MET   6  -1.437  16.980  16.980
  297   1HB   MET   6          2HB       MET   6  -1.626  19.418  19.418
  298   2HB   MET   6          1HB       MET   6  -0.838  17.945  17.945
  299   1HG   MET   6          2HG       MET   6   0.685  17.988  17.988
  300   2HG   MET   6          1HG       MET   6  -0.125  19.422  19.422
  301   1HE   MET   6          3HE       MET   6  -0.500  21.457  21.457
  302   2HE   MET   6          2HE       MET   6   0.773  22.288  22.288
  303   3HE   MET   6          1HE       MET   6   1.052  21.799  21.799
  304    H    ARG   7           H        ARG   7  -4.322  18.417  18.417
  305    HA   ARG   7           HA       ARG   7  -4.732  16.655  16.655
  306   1HB   ARG   7          2HB       ARG   7  -6.012  18.835  18.835
  307   2HB   ARG   7          1HB       ARG   7  -7.032  17.728  17.728
  308   1HG   ARG   7          2HG       ARG   7  -8.161  17.598  17.598
  309   2HG   ARG   7          1HG       ARG   7  -6.930  16.383  16.383
  310   1HD   ARG   7          2HD       ARG   7  -5.784  17.750  17.750
  311   2HD   ARG   7          1HD       ARG   7  -6.215  19.215  19.215
  312    HE   ARG   7           HE       ARG   7  -7.594  18.142  18.142
  313   1HH1  ARG   7          1HH1      ARG   7  -8.163  19.691  19.691
  314   2HH1  ARG   7          2HH1      ARG   7  -9.666  20.386  20.386
  315   1HH2  ARG   7          1HH2      ARG   7  -9.558  19.068  19.068
  316   2HH2  ARG   7          2HH2      ARG   7 -10.450  20.037  20.037
  317    H    ARG   8           H        ARG   8  -5.550  16.420  16.420
  318    HA   ARG   8           HA       ARG   8  -7.106  14.028  14.028
  319   1HB   ARG   8          2HB       ARG   8  -5.847  15.484  15.484
  320   2HB   ARG   8          1HB       ARG   8  -6.583  13.896  13.896
  321   1HG   ARG   8          2HG       ARG   8  -8.661  14.827  14.827
  322   2HG   ARG   8          1HG       ARG   8  -7.918  16.422  16.422
  323   1HD   ARG   8          2HD       ARG   8  -8.034  16.427  16.427
  324   2HD   ARG   8          1HD       ARG   8  -8.094  14.671  14.671
  325    HE   ARG   8           HE       ARG   8 -10.335  16.427  16.427
  326   1HH1  ARG   8          1HH1      ARG   8  -9.155  13.300  13.300
  327   2HH1  ARG   8          2HH1      ARG   8 -10.741  12.631  12.631
  328   1HH2  ARG   8          1HH2      ARG   8 -12.384  15.516  15.516
  329   2HH2  ARG   8          2HH2      ARG   8 -12.555  13.873  13.873
  330    H    LYS   9           H        LYS   9  -3.719  14.763  14.763
  331    HA   LYS   9           HA       LYS   9  -2.957  12.087  12.087
  332   1HB   LYS   9          2HB       LYS   9  -1.532  14.629  14.629
  333   2HB   LYS   9          1HB       LYS   9  -0.629  13.122  13.122
  334   1HG   LYS   9          2HG       LYS   9  -2.271  13.425  13.425
  335   2HG   LYS   9          1HG       LYS   9  -0.827  14.432  14.432
  336   1HD   LYS   9          2HD       LYS   9   0.612  12.607  12.607
  337   2HD   LYS   9          1HD       LYS   9  -0.616  11.521  11.521
  338   1HE   LYS   9          2HE       LYS   9  -1.814  11.584  11.584
  339   2HE   LYS   9          1HE       LYS   9  -0.572  12.653  12.653
  340   1HZ   LYS   9          3HZ       LYS   9   1.029  10.806  10.806
  341   2HZ   LYS   9          2HZ       LYS   9  -0.352   9.817   9.817
  342   3HZ   LYS   9          1HZ       LYS   9   0.110  10.567  10.567
  343    H    ASN  10           H        ASN  10  -2.930  14.013  14.013
  344    HA   ASN  10           HA       ASN  10  -1.654  12.003  12.003
  345   1HB   ASN  10          2HB       ASN  10  -3.001  14.611  14.611
  346   2HB   ASN  10          1HB       ASN  10  -2.864  13.487  13.487
  347   1HD2  ASN  10          1HD2      ASN  10  -1.060  15.603  15.603
  348   2HD2  ASN  10          2HD2      ASN  10   0.449  15.383  15.383
  349    H    ASP  11           H        ASP  11  -4.983  12.883  12.883
  350    HA   ASP  11           HA       ASP  11  -6.266  11.304  11.304
  351   1HB   ASP  11          2HB       ASP  11  -7.354  13.067  13.067
  352   2HB   ASP  11          1HB       ASP  11  -7.337  11.890  11.890
  353    H    THR  12           H        THR  12  -5.060  10.579  10.579
  354    HA   THR  12           HA       THR  12  -6.176   7.939   7.939
  355    HB   THR  12           HB       THR  12  -3.769   8.865   8.865
  356    HG1  THR  12           HG1      THR  12  -5.058  10.027  10.027
  357   1HG2  THR  12          2HG2      THR  12  -5.939   6.818   6.818
  358   2HG2  THR  12          1HG2      THR  12  -5.224   7.504   7.504
  359   3HG2  THR  12          3HG2      THR  12  -4.208   6.658   6.658
  360    H    HIS  13           H        HIS  13  -3.206   9.347   9.347
  361    HA   HIS  13           HA       HIS  13  -1.597   7.049   7.049
  362   1HB   HIS  13          2HB       HIS  13  -1.670   9.669   9.669
  363   2HB   HIS  13          1HB       HIS  13  -0.706   8.377   8.377
  364    HD1  HIS  13           HD1      HIS  13   0.956   7.141   7.141
  365    HD2  HIS  13           HD2      HIS  13  -0.298  11.034  11.034
  366    HE1  HIS  13           HE1      HIS  13   2.561   8.067   8.067
  367    H    GLN  14           H        GLN  14  -3.823   8.450   8.450
  368    HA   GLN  14           HA       GLN  14  -3.414   6.481   6.481
  369   1HB   GLN  14          2HB       GLN  14  -5.799   8.279   8.279
  370   2HB   GLN  14          1HB       GLN  14  -5.540   7.327   7.327
  371   1HG   GLN  14          2HG       GLN  14  -3.157   8.586   8.586
  372   2HG   GLN  14          1HG       GLN  14  -4.161   9.798   9.798
  373   1HE2  GLN  14          2HE2      GLN  14  -4.275   9.618   9.618
  374   2HE2  GLN  14          1HE2      GLN  14  -3.018   9.001   9.001
  375    H    GLN  15           H        GLN  15  -5.955   6.873   6.873
  376    HA   GLN  15           HA       GLN  15  -7.419   4.553   4.553
  377   1HB   GLN  15          2HB       GLN  15  -7.138   6.067   6.067
  378   2HB   GLN  15          1HB       GLN  15  -8.252   4.717   4.717
  379   1HG   GLN  15          2HG       GLN  15  -9.614   5.894   5.894
  380   2HG   GLN  15          1HG       GLN  15  -8.300   6.936   6.936
  381   1HE2  GLN  15          2HE2      GLN  15  -9.703   7.854   7.854
  382   2HE2  GLN  15          1HE2      GLN  15  -9.357   6.238   6.238
  383    H    ASP  16           H        ASP  16  -4.791   5.096   5.096
  384    HA   ASP  16           HA       ASP  16  -4.737   2.505   2.505
  385   1HB   ASP  16          2HB       ASP  16  -3.503   4.603   4.603
  386   2HB   ASP  16          1HB       ASP  16  -2.282   4.209   4.209
  387    H    ILE  17           H        ILE  17  -3.173   3.896   3.896
  388    HA   ILE  17           HA       ILE  17  -1.502   1.709   1.709
  389    HB   ILE  17           HB       ILE  17  -2.662   4.004   4.004
  390   1HG1  ILE  17          2HG1      ILE  17   0.222   3.203   3.203
  391   2HG1  ILE  17          1HG1      ILE  17  -0.641   4.092   4.092
  392   1HG2  ILE  17          3HG2      ILE  17  -1.417   1.517   1.517
  393   2HG2  ILE  17          2HG2      ILE  17  -0.914   3.057   3.057
  394   3HG2  ILE  17          1HG2      ILE  17  -2.615   2.589   2.589
  395   1HD1  ILE  17          1HD1      ILE  17  -0.367   4.976   4.976
  396   2HD1  ILE  17          3HD1      ILE  17   0.567   5.619   5.619
  397   3HD1  ILE  17          2HD1      ILE  17  -1.178   5.872   5.872
  398    H    ASP  18           H        ASP  18  -4.309   2.670   2.670
  399    HA   ASP  18           HA       ASP  18  -4.726   0.361   0.361
  400   1HB   ASP  18          2HB       ASP  18  -6.444   2.624   2.624
  401   2HB   ASP  18          1HB       ASP  18  -7.314   1.161   1.161
  402    H    ASP  19           H        ASP  19  -5.679   1.019   1.019
  403    HA   ASP  19           HA       ASP  19  -7.401  -1.241  -1.241
  404   1HB   ASP  19          2HB       ASP  19  -7.399   0.769   0.769
  405   2HB   ASP  19          1HB       ASP  19  -5.864   0.204   0.204
  406    H    LEU  20           H        LEU  20  -3.969  -0.640  -0.640
  407    HA   LEU  20           HA       LEU  20  -3.324  -3.046  -3.046
  408   1HB   LEU  20          2HB       LEU  20  -1.716  -1.164  -1.164
  409   2HB   LEU  20          1HB       LEU  20  -1.006  -2.615  -2.615
  410    HG   LEU  20           HG       LEU  20  -2.572  -0.795  -0.795
  411   1HD1  LEU  20          2HD1      LEU  20   0.282  -0.301  -0.301
  412   2HD1  LEU  20          1HD1      LEU  20  -0.529   0.546   0.546
  413   3HD1  LEU  20          3HD1      LEU  20  -1.103   0.738   0.738
  414   1HD2  LEU  20          1HD2      LEU  20  -0.367  -2.812  -2.812
  415   2HD2  LEU  20          3HD2      LEU  20  -1.810  -2.639  -2.639
  416   3HD2  LEU  20          2HD2      LEU  20  -0.444  -1.546  -1.546
  417    H    LYS  21           H        LYS  21  -2.807  -2.192  -2.192
  418    HA   LYS  21           HA       LYS  21  -2.088  -4.743  -4.743
  419   1HB   LYS  21          2HB       LYS  21  -3.106  -2.259  -2.259
  420   2HB   LYS  21          1HB       LYS  21  -3.213  -3.746  -3.746
  421   1HG   LYS  21          2HG       LYS  21  -0.640  -3.284  -3.284
  422   2HG   LYS  21          1HG       LYS  21  -0.991  -2.200  -2.200
  423   1HD   LYS  21          2HD       LYS  21  -1.694  -4.547  -4.547
  424   2HD   LYS  21          1HD       LYS  21  -0.459  -5.125  -5.125
  425   1HE   LYS  21          2HE       LYS  21   0.194  -2.680  -2.680
  426   2HE   LYS  21          1HE       LYS  21   0.148  -4.202  -4.202
  427   1HZ   LYS  21          1HZ       LYS  21   1.579  -4.062  -4.062
  428   2HZ   LYS  21          3HZ       LYS  21   2.321  -3.450  -3.450
  429   3HZ   LYS  21          2HZ       LYS  21   1.851  -5.082  -5.082
  430    H    ARG  22           H        ARG  22  -5.237  -3.322  -3.322
  431    HA   ARG  22           HA       ARG  22  -6.806  -5.182  -5.182
  432   1HB   ARG  22          2HB       ARG  22  -7.335  -3.275  -3.275
  433   2HB   ARG  22          1HB       ARG  22  -8.542  -4.497  -4.497
  434   1HG   ARG  22          2HG       ARG  22  -7.337  -2.717  -2.717
  435   2HG   ARG  22          1HG       ARG  22  -8.783  -2.261  -2.261
  436   1HD   ARG  22          2HD       ARG  22  -8.654  -4.949  -4.949
  437   2HD   ARG  22          1HD       ARG  22  -9.020  -3.524  -3.524
  438    HE   ARG  22           HE       ARG  22 -11.053  -3.276  -3.276
  439   1HH1  ARG  22          1HH1      ARG  22  -9.199  -5.996  -5.996
  440   2HH1  ARG  22          2HH1      ARG  22 -10.549  -6.668  -6.668
  441   1HH2  ARG  22          1HH2      ARG  22 -12.769  -4.198  -4.198
  442   2HH2  ARG  22          2HH2      ARG  22 -12.546  -5.665  -5.665
  443    H    GLN  23           H        GLN  23  -6.391  -4.990  -4.990
  444    HA   GLN  23           HA       GLN  23  -7.378  -7.626  -7.626
  445   1HB   GLN  23          2HB       GLN  23  -6.565  -7.335  -7.335
  446   2HB   GLN  23          1HB       GLN  23  -7.507  -5.951  -5.951
  447   1HG   GLN  23          2HG       GLN  23  -5.765  -4.562  -4.562
  448   2HG   GLN  23          1HG       GLN  23  -4.725  -5.554  -5.554
  449   1HE2  GLN  23          2HE2      GLN  23  -4.820  -6.504  -6.504
  450   2HE2  GLN  23          1HE2      GLN  23  -6.249  -5.985  -5.985
  451    H    ASN  24           H        ASN  24  -4.201  -6.329  -6.329
  452    HA   ASN  24           HA       ASN  24  -2.660  -8.501  -8.501
  453   1HB   ASN  24          2HB       ASN  24  -2.172  -6.346  -6.346
  454   2HB   ASN  24          1HB       ASN  24  -1.011  -7.654  -7.654
  455   1HD2  ASN  24          2HD2      ASN  24   0.200  -5.160  -5.160
  456   2HD2  ASN  24          1HD2      ASN  24   0.238  -5.495  -5.495
  457    H    ALA  25           H        ALA  25  -4.403  -7.927  -7.927
  458    HA   ALA  25           HA       ALA  25  -3.271 -10.153 -10.153
  459   1HB   ALA  25          2HB       ALA  25  -4.459  -8.069  -8.069
  460   2HB   ALA  25          1HB       ALA  25  -5.953  -8.930  -8.930
  461   3HB   ALA  25          3HB       ALA  25  -4.781  -9.636  -9.636
  462    H    LEU  26           H        LEU  26  -6.336  -9.556  -9.556
  463    HA   LEU  26           HA       LEU  26  -7.374 -12.185 -12.185
  464   1HB   LEU  26          2HB       LEU  26  -8.106  -9.839  -9.839
  465   2HB   LEU  26          1HB       LEU  26  -8.762 -11.414 -11.414
  466    HG   LEU  26           HG       LEU  26  -9.492 -11.664 -11.664
  467   1HD1  LEU  26          1HD1      LEU  26  -8.815  -8.707  -8.707
  468   2HD1  LEU  26          3HD1      LEU  26  -9.686  -9.556  -9.556
  469   3HD1  LEU  26          2HD1      LEU  26  -8.001  -9.957  -9.957
  470   1HD2  LEU  26          3HD2      LEU  26 -10.901 -10.833 -10.833
  471   2HD2  LEU  26          2HD2      LEU  26 -11.530 -10.539 -10.539
  472   3HD2  LEU  26          1HD2      LEU  26 -10.740  -9.236  -9.236
  473    H    LEU  27           H        LEU  27  -5.406 -10.665 -10.665
  474    HA   LEU  27           HA       LEU  27  -5.600 -12.673 -12.673
  475   1HB   LEU  27          2HB       LEU  27  -3.547 -10.570 -10.570
  476   2HB   LEU  27          1HB       LEU  27  -3.246 -11.763 -11.763
  477    HG   LEU  27           HG       LEU  27  -5.847 -10.257 -10.257
  478   1HD1  LEU  27          1HD1      LEU  27  -3.960  -8.602  -8.602
  479   2HD1  LEU  27          3HD1      LEU  27  -3.304  -9.297  -9.297
  480   3HD1  LEU  27          2HD1      LEU  27  -4.877  -8.500  -8.500
  481   1HD2  LEU  27          2HD2      LEU  27  -4.146 -11.712 -11.712
  482   2HD2  LEU  27          1HD2      LEU  27  -5.831 -12.005 -12.005
  483   3HD2  LEU  27          3HD2      LEU  27  -5.399 -10.581 -10.581
  484    H    GLU  28           H        GLU  28  -3.280 -12.178 -12.178
  485    HA   GLU  28           HA       GLU  28  -1.588 -14.354 -14.354
  486   1HB   GLU  28          2HB       GLU  28  -1.132 -12.546 -12.546
  487   2HB   GLU  28          1HB       GLU  28  -2.346 -13.259 -13.259
  488   1HG   GLU  28          2HG       GLU  28  -1.014 -15.031 -15.031
  489   2HG   GLU  28          1HG       GLU  28  -0.273 -15.114 -15.114
  490    H    GLN  29           H        GLN  29  -4.540 -14.156 -14.156
  491    HA   GLN  29           HA       GLN  29  -4.552 -16.749 -16.749
  492   1HB   GLN  29          2HB       GLN  29  -6.668 -14.728 -14.728
  493   2HB   GLN  29          1HB       GLN  29  -7.167 -16.375 -16.375
  494   1HG   GLN  29          2HG       GLN  29  -6.047 -16.313 -16.313
  495   2HG   GLN  29          1HG       GLN  29  -5.231 -14.803 -14.803
  496   1HE2  GLN  29          2HE2      GLN  29  -8.741 -14.573 -14.573
  497   2HE2  GLN  29          1HE2      GLN  29  -7.734 -15.938 -15.938
  498    H    GLN  30           H        GLN  30  -5.614 -15.536 -15.536
  499    HA   GLN  30           HA       GLN  30  -6.703 -18.095 -18.095
  500   1HB   GLN  30          2HB       GLN  30  -6.252 -15.460 -15.460
  501   2HB   GLN  30          1HB       GLN  30  -6.768 -16.900 -16.900
  502   1HG   GLN  30          2HG       GLN  30  -8.263 -16.245 -16.245
  503   2HG   GLN  30          1HG       GLN  30  -8.524 -15.186 -15.186
  504   1HE2  GLN  30          2HE2      GLN  30  -9.846 -19.056 -19.056
  505   2HE2  GLN  30          1HE2      GLN  30  -8.787 -18.566 -18.566
  506    H    VAL  31           H        VAL  31  -3.761 -16.223 -16.223
  507    HA   VAL  31           HA       VAL  31  -2.614 -17.897 -17.897
  508    HB   VAL  31           HB       VAL  31  -1.239 -16.052 -16.052
  509   1HG1  VAL  31          1HG1      VAL  31   0.226 -17.728 -17.728
  510   2HG1  VAL  31          3HG1      VAL  31  -0.308 -17.044 -17.044
  511   3HG1  VAL  31          2HG1      VAL  31   0.605 -16.053 -16.053
  512   1HG2  VAL  31          1HG2      VAL  31  -3.111 -15.348 -15.348
  513   2HG2  VAL  31          3HG2      VAL  31  -1.820 -14.291 -14.291
  514   3HG2  VAL  31          2HG2      VAL  31  -1.614 -15.215 -15.215
  515    H    ARG  32           H        ARG  32  -2.667 -17.935 -17.935
  516    HA   ARG  32           HA       ARG  32  -0.542 -19.719 -19.719
  517   1HB   ARG  32          2HB       ARG  32  -1.774 -18.397 -18.397
  518   2HB   ARG  32          1HB       ARG  32  -3.105 -19.544 -19.544
  519   1HG   ARG  32          2HG       ARG  32  -1.906 -20.504 -20.504
  520   2HG   ARG  32          1HG       ARG  32  -1.199 -21.335 -21.335
  521   1HD   ARG  32          2HD       ARG  32   0.725 -19.950 -19.950
  522   2HD   ARG  32          1HD       ARG  32  -0.038 -18.758 -18.758
  523    HE   ARG  32           HE       ARG  32   0.000 -21.017 -21.017
  524   1HH1  ARG  32          1HH1      ARG  32   2.439 -19.267 -19.267
  525   2HH1  ARG  32          2HH1      ARG  32   3.719 -19.724 -19.724
  526   1HH2  ARG  32          1HH2      ARG  32   1.700 -21.589 -21.589
  527   2HH2  ARG  32          2HH2      ARG  32   3.306 -21.027 -21.027
  528    H    ALA  33           H        ALA  33  -3.881 -20.247 -20.247
  529    HA   ALA  33           HA       ALA  33  -3.498 -23.163 -23.163
  530   1HB   ALA  33          3HB       ALA  33  -5.909 -21.384 -21.384
  531   2HB   ALA  33          2HB       ALA  33  -6.016 -23.071 -23.071
  532   3HB   ALA  33          1HB       ALA  33  -5.565 -22.674 -22.674
  533    H    LEU  34           H        LEU  34  -5.234 -21.025 -21.025
  534    HA   LEU  34           HA       LEU  34  -5.332 -20.986 -20.986
  535   1HB   LEU  34          2HB       LEU  34  -2.570 -22.207 -22.207
  536   2HB   LEU  34          1HB       LEU  34  -3.273 -21.557 -21.557
  537    HG   LEU  34           HG       LEU  34  -3.015 -19.911 -19.911
  538   1HD1  LEU  34          3HD1      LEU  34  -0.776 -20.705 -20.705
  539   2HD1  LEU  34          2HD1      LEU  34  -1.109 -20.018 -20.018
  540   3HD1  LEU  34          1HD1      LEU  34  -0.974 -18.963 -18.963
  541   1HD2  LEU  34          2HD2      LEU  34  -3.698 -19.423 -19.423
  542   2HD2  LEU  34          1HD2      LEU  34  -4.534 -18.861 -18.861
  543   3HD2  LEU  34          3HD2      LEU  34  -3.004 -18.124 -18.124
  544   1HN   NH2  35          1HT       LEU  34  -6.973 -22.482 -22.482
  545   2HN   NH2  35          2HT       LEU  34  -6.680 -24.126 -24.126

  Start of MODEL   20
    1   1H    ACE   2          1HA       ACE   2   5.819  25.428  25.428
    2   2H    ACE   2          2HA       ACE   2   6.724  26.090  26.090
    3   3H    ACE   2          3HA       ACE   2   5.560  27.099  27.099
    4    H    CYS   3           H        CYS   3   5.390  23.768  23.768
    5    HA   CYS   3           HA       CYS   3   2.845  24.460  24.460
    6   1HB   CYS   3          2HB       CYS   3   4.055  21.906  21.906
    7   2HB   CYS   3          1HB       CYS   3   2.857  21.845  21.845
    8    H    GLY   4           H        GLY   4   5.618  22.317  22.317
    9   1HA   GLY   4          2HA       GLY   4   6.922  22.163  22.163
   10   2HA   GLY   4          1HA       GLY   4   6.003  23.496  23.496
   11    H    GLY   5           H        GLY   5   6.218  20.052  20.052
   12   1HA   GLY   5          2HA       GLY   5   5.501  18.634  18.634
   13   2HA   GLY   5          1HA       GLY   5   4.131  19.718  19.718
   14    H    VAL   6           H        VAL   6   3.277  20.030  20.030
   15    HA   VAL   6           HA       VAL   6   1.766  17.633  17.633
   16    HB   VAL   6           HB       VAL   6   2.075  19.943  19.943
   17   1HG1  VAL   6          2HG1      VAL   6   0.998  17.863  17.863
   18   2HG1  VAL   6          1HG1      VAL   6  -0.182  17.963  17.963
   19   3HG1  VAL   6          3HG1      VAL   6  -0.123  19.223  19.223
   20   1HG2  VAL   6          1HG2      VAL   6   0.147  19.558  19.558
   21   2HG2  VAL   6          3HG2      VAL   6   1.422  20.772  20.772
   22   3HG2  VAL   6          2HG2      VAL   6   0.048  20.850  20.850
   23    H    GLN   7           H        GLN   7   4.609  19.044  19.044
   24    HA   GLN   7           HA       GLN   7   4.734  17.279  17.279
   25   1HB   GLN   7          2HB       GLN   7   5.987  19.506  19.506
   26   2HB   GLN   7          1HB       GLN   7   7.143  18.556  18.556
   27   1HG   GLN   7          2HG       GLN   7   6.997  16.968  16.968
   28   2HG   GLN   7          1HG       GLN   7   6.558  18.488  18.488
   29   1HE2  GLN   7          2HE2      GLN   7  10.390  17.850  17.850
   30   2HE2  GLN   7          1HE2      GLN   7   9.187  16.671  16.671
   31    H    ALA   8           H        ALA   8   5.935  17.148  17.148
   32    HA   ALA   8           HA       ALA   8   7.630  14.878  14.878
   33   1HB   ALA   8          2HB       ALA   8   7.699  16.520  16.520
   34   2HB   ALA   8          1HB       ALA   8   6.271  15.698  15.698
   35   3HB   ALA   8          3HB       ALA   8   7.787  14.814  14.814
   36    H    GLU   9           H        GLU   9   4.264  15.313  15.313
   37    HA   GLU   9           HA       GLU   9   3.817  12.530  12.530
   38   1HB   GLU   9          2HB       GLU   9   1.820  14.741  14.741
   39   2HB   GLU   9          1HB       GLU   9   1.446  13.156  13.156
   40   1HG   GLU   9          2HG       GLU   9   2.647  13.607  13.607
   41   2HG   GLU   9          1HG       GLU   9   3.465  14.998  14.998
   42    H    GLU  10           H        GLU  10   3.438  14.646  14.646
   43    HA   GLU  10           HA       GLU  10   1.861  12.924  12.924
   44   1HB   GLU  10          2HB       GLU  10   2.296  15.369  15.369
   45   2HB   GLU  10          1HB       GLU  10   3.907  14.914  14.914
   46   1HG   GLU  10          2HG       GLU  10   2.548  13.183  13.183
   47   2HG   GLU  10          1HG       GLU  10   1.245  14.347  14.347
   48    H    GLN  11           H        GLN  11   5.380  13.474  13.474
   49    HA   GLN  11           HA       GLN  11   6.064  11.540  11.540
   50   1HB   GLN  11          2HB       GLN  11   7.566  13.364  13.364
   51   2HB   GLN  11          1HB       GLN  11   7.798  12.314  12.314
   52   1HG   GLN  11          2HG       GLN  11   8.403  10.490  10.490
   53   2HG   GLN  11          1HG       GLN  11   8.611  11.841  11.841
   54   1HE2  GLN  11          2HE2      GLN  11  11.942  11.936  11.936
   55   2HE2  GLN  11          1HE2      GLN  11  10.952  11.535  11.535
   56    H    LYS  12           H        LYS  12   5.442  11.327  11.327
   57    HA   LYS  12           HA       LYS  12   6.487   8.707   8.707
   58   1HB   LYS  12          2HB       LYS  12   5.679  10.583  10.583
   59   2HB   LYS  12          1HB       LYS  12   4.184   9.652   9.652
   60   1HG   LYS  12          2HG       LYS  12   5.514   7.582   7.582
   61   2HG   LYS  12          1HG       LYS  12   6.934   8.601   8.601
   62   1HD   LYS  12          2HD       LYS  12   5.254   9.901   9.901
   63   2HD   LYS  12          1HD       LYS  12   4.514   8.304   8.304
   64   1HE   LYS  12          2HE       LYS  12   7.467   8.809   8.809
   65   2HE   LYS  12          1HE       LYS  12   6.286   8.713   8.713
   66   1HZ   LYS  12          1HZ       LYS  12   5.694   6.487   6.487
   67   2HZ   LYS  12          3HZ       LYS  12   6.878   6.582   6.582
   68   3HZ   LYS  12          2HZ       LYS  12   7.337   6.584   6.584
   69    H    LEU  13           H        LEU  13   3.330   9.971   9.971
   70    HA   LEU  13           HA       LEU  13   1.892   7.534   7.534
   71   1HB   LEU  13          2HB       LEU  13   1.461  10.123  10.123
   72   2HB   LEU  13          1HB       LEU  13   0.420   8.739   8.739
   73    HG   LEU  13           HG       LEU  13   0.929   9.455   9.455
   74   1HD1  LEU  13          3HD1      LEU  13   0.325  11.556  11.556
   75   2HD1  LEU  13          2HD1      LEU  13  -1.266  10.810  10.810
   76   3HD1  LEU  13          1HD1      LEU  13  -0.631  11.218  11.218
   77   1HD2  LEU  13          3HD2      LEU  13  -1.280   8.226   8.226
   78   2HD2  LEU  13          2HD2      LEU  13  -0.395   7.517   7.517
   79   3HD2  LEU  13          1HD2      LEU  13  -1.580   8.791   8.791
   80    H    ILE  14           H        ILE  14   3.740   9.061   9.061
   81    HA   ILE  14           HA       ILE  14   3.040   7.191   7.191
   82    HB   ILE  14           HB       ILE  14   5.536   8.898   8.898
   83   1HG1  ILE  14          2HG1      ILE  14   2.889   9.502   9.502
   84   2HG1  ILE  14          1HG1      ILE  14   3.377  10.166  10.166
   85   1HG2  ILE  14          1HG2      ILE  14   4.314   7.183   7.183
   86   2HG2  ILE  14          3HG2      ILE  14   4.987   8.727   8.727
   87   3HG2  ILE  14          2HG2      ILE  14   6.011   7.551   7.551
   88   1HD1  ILE  14          1HD1      ILE  14   5.205  10.448  10.448
   89   2HD1  ILE  14          3HD1      ILE  14   3.837  11.546  11.546
   90   3HD1  ILE  14          2HD1      ILE  14   5.076  11.468  11.468
   91    H    SER  15           H        SER  15   6.019   7.564   7.564
   92    HA   SER  15           HA       SER  15   7.284   5.222   5.222
   93   1HB   SER  15          2HB       SER  15   8.706   5.426   5.426
   94   2HB   SER  15          1HB       SER  15   8.448   7.008   7.008
   95    HG   SER  15           HG       SER  15   7.261   5.886   5.886
   96    H    GLU  16           H        GLU  16   4.910   5.768   5.768
   97    HA   GLU  16           HA       GLU  16   5.146   3.188   3.188
   98   1HB   GLU  16          2HB       GLU  16   3.117   5.400   5.400
   99   2HB   GLU  16          1HB       GLU  16   2.756   3.828   3.828
  100   1HG   GLU  16          2HG       GLU  16   5.398   5.074   5.074
  101   2HG   GLU  16          1HG       GLU  16   3.962   5.740   5.740
  102    H    GLU  17           H        GLU  17   2.872   4.620   4.620
  103    HA   GLU  17           HA       GLU  17   1.314   2.271   2.271
  104   1HB   GLU  17          2HB       GLU  17   0.621   4.616   4.616
  105   2HB   GLU  17          1HB       GLU  17   1.711   4.489   4.489
  106   1HG   GLU  17          2HG       GLU  17   0.400   2.210   2.210
  107   2HG   GLU  17          1HG       GLU  17  -0.855   3.045   3.045
  108    H    ASP  18           H        ASP  18   4.192   3.553   3.553
  109    HA   ASP  18           HA       ASP  18   4.282   1.828   1.828
  110   1HB   ASP  18          2HB       ASP  18   5.736   3.856   3.856
  111   2HB   ASP  18          1HB       ASP  18   6.678   2.897   2.897
  112    H    LEU  19           H        LEU  19   5.205   1.382   1.382
  113    HA   LEU  19           HA       LEU  19   6.681  -1.045  -1.045
  114   1HB   LEU  19          2HB       LEU  19   6.661   0.626   0.626
  115   2HB   LEU  19          1HB       LEU  19   5.368  -0.431  -0.431
  116    HG   LEU  19           HG       LEU  19   8.025  -1.509  -1.509
  117   1HD1  LEU  19          1HD1      LEU  19   8.005   0.147   0.147
  118   2HD1  LEU  19          3HD1      LEU  19   7.345  -1.255  -1.255
  119   3HD1  LEU  19          2HD1      LEU  19   8.927  -1.356  -1.356
  120   1HD2  LEU  19          1HD2      LEU  19   5.546  -2.573  -2.573
  121   2HD2  LEU  19          3HD2      LEU  19   6.630  -3.337  -3.337
  122   3HD2  LEU  19          2HD2      LEU  19   7.076  -3.264  -3.264
  123    H    LEU  20           H        LEU  20   3.350  -0.226  -0.226
  124    HA   LEU  20           HA       LEU  20   2.483  -2.867  -2.867
  125   1HB   LEU  20          2HB       LEU  20   1.146  -0.276  -0.276
  126   2HB   LEU  20          1HB       LEU  20   0.195  -1.755  -1.755
  127    HG   LEU  20           HG       LEU  20   1.865  -1.187  -1.187
  128   1HD1  LEU  20          1HD1      LEU  20   0.314   0.720   0.720
  129   2HD1  LEU  20          3HD1      LEU  20  -1.034  -0.413  -0.413
  130   3HD1  LEU  20          2HD1      LEU  20  -0.137  -0.241  -0.241
  131   1HD2  LEU  20          3HD2      LEU  20  -0.506  -2.950  -2.950
  132   2HD2  LEU  20          2HD2      LEU  20   1.106  -3.456  -3.456
  133   3HD2  LEU  20          1HD2      LEU  20   0.030  -2.661  -2.661
  134    H    ARG  21           H        ARG  21   2.299  -0.881  -0.881
  135    HA   ARG  21           HA       ARG  21   0.978  -2.766  -2.766
  136   1HB   ARG  21          2HB       ARG  21   1.918  -1.471  -1.471
  137   2HB   ARG  21          1HB       ARG  21   1.167  -0.443  -0.443
  138   1HG   ARG  21          2HG       ARG  21   3.323   0.123   0.123
  139   2HG   ARG  21          1HG       ARG  21   4.132  -1.042  -1.042
  140   1HD   ARG  21          2HD       ARG  21   2.628   1.428   1.428
  141   2HD   ARG  21          1HD       ARG  21   4.375   1.215   1.215
  142    HE   ARG  21           HE       ARG  21   3.472  -0.872  -0.872
  143   1HH1  ARG  21          1HH1      ARG  21   2.927   2.585   2.585
  144   2HH1  ARG  21          2HH1      ARG  21   2.688   2.623   2.623
  145   1HH2  ARG  21          1HH2      ARG  21   3.154  -0.777  -0.777
  146   2HH2  ARG  21          2HH2      ARG  21   2.815   0.737   0.737
  147    H    LYS  22           H        LYS  22   4.347  -2.388  -2.388
  148    HA   LYS  22           HA       LYS  22   5.476  -4.065  -4.065
  149   1HB   LYS  22          2HB       LYS  22   6.740  -2.489  -2.489
  150   2HB   LYS  22          1HB       LYS  22   6.536  -3.692  -3.692
  151   1HG   LYS  22          2HG       LYS  22   7.491  -5.333  -5.333
  152   2HG   LYS  22          1HG       LYS  22   8.169  -3.843  -3.843
  153   1HD   LYS  22          2HD       LYS  22   9.237  -3.356  -3.356
  154   2HD   LYS  22          1HD       LYS  22   8.538  -4.823  -4.823
  155   1HE   LYS  22          2HE       LYS  22  10.417  -4.765  -4.765
  156   2HE   LYS  22          1HE       LYS  22  10.905  -5.141  -5.141
  157   1HZ   LYS  22          1HZ       LYS  22   9.021  -6.873  -6.873
  158   2HZ   LYS  22          3HZ       LYS  22   9.182  -6.687  -6.687
  159   3HZ   LYS  22          2HZ       LYS  22  10.507  -7.211  -7.211
  160    H    ARG  23           H        ARG  23   4.226  -4.690  -4.690
  161    HA   ARG  23           HA       ARG  23   4.951  -7.433  -7.433
  162   1HB   ARG  23          2HB       ARG  23   4.220  -5.942  -5.942
  163   2HB   ARG  23          1HB       ARG  23   2.567  -6.222  -6.222
  164   1HG   ARG  23          2HG       ARG  23   3.087  -8.714  -8.714
  165   2HG   ARG  23          1HG       ARG  23   4.571  -8.280  -8.280
  166   1HD   ARG  23          2HD       ARG  23   3.176  -7.038  -7.038
  167   2HD   ARG  23          1HD       ARG  23   1.738  -7.664  -7.664
  168    HE   ARG  23           HE       ARG  23   2.118  -9.702  -9.702
  169   1HH1  ARG  23          1HH1      ARG  23   5.044  -7.783  -7.783
  170   2HH1  ARG  23          2HH1      ARG  23   5.877  -8.901  -8.901
  171   1HH2  ARG  23          1HH2      ARG  23   3.240 -11.133 -11.133
  172   2HH2  ARG  23          2HH2      ARG  23   4.866 -10.783 -10.783
  173    H    ARG  24           H        ARG  24   2.195  -5.708  -5.708
  174    HA   ARG  24           HA       ARG  24   0.436  -7.888  -7.888
  175   1HB   ARG  24          2HB       ARG  24  -0.053  -5.380  -5.380
  176   2HB   ARG  24          1HB       ARG  24   0.613  -5.569  -5.569
  177   1HG   ARG  24          2HG       ARG  24  -1.109  -6.967  -6.967
  178   2HG   ARG  24          1HG       ARG  24  -1.465  -7.513  -7.513
  179   1HD   ARG  24          2HD       ARG  24  -2.680  -5.593  -5.593
  180   2HD   ARG  24          1HD       ARG  24  -1.877  -4.628  -4.628
  181    HE   ARG  24           HE       ARG  24  -4.244  -6.211  -6.211
  182   1HH1  ARG  24          1HH1      ARG  24  -1.370  -5.049  -5.049
  183   2HH1  ARG  24          2HH1      ARG  24  -2.087  -5.129  -5.129
  184   1HH2  ARG  24          1HH2      ARG  24  -5.142  -6.300  -6.300
  185   2HH2  ARG  24          2HH2      ARG  24  -4.205  -5.831  -5.831
  186    H    GLU  25           H        GLU  25   2.986  -6.558  -6.558
  187    HA   GLU  25           HA       GLU  25   2.493  -8.270  -8.270
  188   1HB   GLU  25          2HB       GLU  25   3.845  -6.099  -6.099
  189   2HB   GLU  25          1HB       GLU  25   5.163  -7.049  -7.049
  190   1HG   GLU  25          2HG       GLU  25   5.485  -8.263  -8.263
  191   2HG   GLU  25          1HG       GLU  25   3.796  -8.127  -8.127
  192    H    GLN  26           H        GLN  26   4.495  -8.498  -8.498
  193    HA   GLN  26           HA       GLN  26   5.884 -10.874 -10.874
  194   1HB   GLN  26          2HB       GLN  26   6.718  -9.226  -9.226
  195   2HB   GLN  26          1HB       GLN  26   5.504  -9.883  -9.883
  196   1HG   GLN  26          2HG       GLN  26   7.244 -11.280 -11.280
  197   2HG   GLN  26          1HG       GLN  26   6.605 -12.192 -12.192
  198   1HE2  GLN  26          2HE2      GLN  26   9.373 -11.492 -11.492
  199   2HE2  GLN  26          1HE2      GLN  26   7.786 -12.090 -12.090
  200    H    LEU  27           H        LEU  27   2.985 -10.150 -10.150
  201    HA   LEU  27           HA       LEU  27   2.538 -12.732 -12.732
  202   1HB   LEU  27          2HB       LEU  27   0.674 -10.446 -10.446
  203   2HB   LEU  27          1HB       LEU  27   0.110 -11.952 -11.952
  204    HG   LEU  27           HG       LEU  27   2.446 -10.495 -10.495
  205   1HD1  LEU  27          1HD1      LEU  27  -0.490  -9.828  -9.828
  206   2HD1  LEU  27          3HD1      LEU  27   0.680  -9.432  -9.432
  207   3HD1  LEU  27          2HD1      LEU  27   0.847  -8.733  -8.733
  208   1HD2  LEU  27          3HD2      LEU  27   1.522 -12.872 -12.872
  209   2HD2  LEU  27          2HD2      LEU  27   1.910 -11.748 -11.748
  210   3HD2  LEU  27          1HD2      LEU  27   0.234 -11.973 -11.973
  211    H    LYS  28           H        LYS  28   1.669 -11.222 -11.222
  212    HA   LYS  28           HA       LYS  28  -0.035 -13.313 -13.313
  213   1HB   LYS  28          2HB       LYS  28   1.482 -11.133 -11.133
  214   2HB   LYS  28          1HB       LYS  28   0.443 -12.286 -12.286
  215   1HG   LYS  28          2HG       LYS  28  -0.708 -10.922 -10.922
  216   2HG   LYS  28          1HG       LYS  28  -0.487  -9.945  -9.945
  217   1HD   LYS  28          2HD       LYS  28  -1.972 -11.228 -11.228
  218   2HD   LYS  28          1HD       LYS  28  -1.754 -12.654 -12.654
  219   1HE   LYS  28          2HE       LYS  28  -3.826 -11.969 -11.969
  220   2HE   LYS  28          1HE       LYS  28  -2.798 -11.048 -11.048
  221   1HZ   LYS  28          2HZ       LYS  28  -2.895  -9.210  -9.210
  222   2HZ   LYS  28          1HZ       LYS  28  -4.082 -10.091 -10.091
  223   3HZ   LYS  28          3HZ       LYS  28  -4.381  -9.561  -9.561
  224    H    HIS  29           H        HIS  29   3.408 -12.599 -12.599
  225    HA   HIS  29           HA       HIS  29   3.998 -14.667 -14.667
  226   1HB   HIS  29          2HB       HIS  29   5.796 -13.398 -13.398
  227   2HB   HIS  29          1HB       HIS  29   6.337 -14.373 -14.373
  228    HD1  HIS  29           HD1      HIS  29   4.212 -13.125 -13.125
  229    HD2  HIS  29           HD2      HIS  29   6.863 -10.973 -10.973
  230    HE1  HIS  29           HE1      HIS  29   4.515 -10.871 -10.871
  231    H    LYS  30           H        LYS  30   3.834 -14.566 -14.566
  232    HA   LYS  30           HA       LYS  30   5.003 -17.089 -17.089
  233   1HB   LYS  30          2HB       LYS  30   4.214 -15.093 -15.093
  234   2HB   LYS  30          1HB       LYS  30   2.800 -16.134 -16.134
  235   1HG   LYS  30          2HG       LYS  30   4.093 -17.078 -17.078
  236   2HG   LYS  30          1HG       LYS  30   4.711 -18.001 -18.001
  237   1HD   LYS  30          2HD       LYS  30   6.713 -16.872 -16.872
  238   2HD   LYS  30          1HD       LYS  30   5.994 -15.366 -15.366
  239   1HE   LYS  30          2HE       LYS  30   5.612 -16.774 -16.774
  240   2HE   LYS  30          1HE       LYS  30   6.952 -17.727 -17.727
  241   1HZ   LYS  30          2HZ       LYS  30   8.199 -15.622 -15.622
  242   2HZ   LYS  30          1HZ       LYS  30   6.937 -14.810 -14.810
  243   3HZ   LYS  30          3HZ       LYS  30   7.827 -15.999 -15.999
  244    H    LEU  31           H        LEU  31   1.721 -16.088 -16.088
  245    HA   LEU  31           HA       LEU  31   0.518 -18.641 -18.641
  246   1HB   LEU  31          2HB       LEU  31  -0.342 -16.094 -16.094
  247   2HB   LEU  31          1HB       LEU  31  -1.270 -17.562 -17.562
  248    HG   LEU  31           HG       LEU  31  -0.535 -16.851 -16.851
  249   1HD1  LEU  31          2HD1      LEU  31  -2.599 -15.543 -15.543
  250   2HD1  LEU  31          1HD1      LEU  31  -2.942 -15.786 -15.786
  251   3HD1  LEU  31          3HD1      LEU  31  -1.553 -14.818 -14.818
  252   1HD2  LEU  31          2HD2      LEU  31  -2.673 -18.437 -18.437
  253   2HD2  LEU  31          1HD2      LEU  31  -1.536 -18.983 -18.983
  254   3HD2  LEU  31          3HD2      LEU  31  -2.882 -17.933 -17.933
  255    H    GLU  32           H        GLU  32   1.813 -16.992 -16.992
  256    HA   GLU  32           HA       GLU  32   1.002 -18.968 -18.968
  257   1HB   GLU  32          2HB       GLU  32   2.953 -16.692 -16.692
  258   2HB   GLU  32          1HB       GLU  32   2.985 -17.876 -17.876
  259   1HG   GLU  32          2HG       GLU  32   0.463 -16.453 -16.453
  260   2HG   GLU  32          1HG       GLU  32   1.494 -15.868 -15.868
  261    H    GLN  33           H        GLN  33   3.883 -18.475 -18.475
  262    HA   GLN  33           HA       GLN  33   5.361 -20.624 -20.624
  263   1HB   GLN  33          2HB       GLN  33   5.798 -18.772 -18.772
  264   2HB   GLN  33          1HB       GLN  33   6.730 -20.268 -20.268
  265   1HG   GLN  33          2HG       GLN  33   7.832 -19.673 -19.673
  266   2HG   GLN  33          1HG       GLN  33   6.538 -18.595 -18.595
  267   1HE2  GLN  33          2HE2      GLN  33   9.088 -17.180 -17.180
  268   2HE2  GLN  33          1HE2      GLN  33   8.700 -18.833 -18.833
  269    H    LEU  34           H        LEU  34   3.663 -20.152 -20.152
  270    HA   LEU  34           HA       LEU  34   3.743 -23.082 -23.082
  271   1HB   LEU  34          2HB       LEU  34   3.392 -20.858 -20.858
  272   2HB   LEU  34          1HB       LEU  34   3.339 -22.582 -22.582
  273    HG   LEU  34           HG       LEU  34   5.706 -21.233 -21.233
  274   1HD1  LEU  34          3HD1      LEU  34   4.986 -21.651 -21.651
  275   2HD1  LEU  34          2HD1      LEU  34   6.678 -21.753 -21.753
  276   3HD1  LEU  34          1HD1      LEU  34   5.768 -20.268 -20.268
  277   1HD2  LEU  34          2HD2      LEU  34   5.227 -23.955 -23.955
  278   2HD2  LEU  34          1HD2      LEU  34   5.624 -23.606 -23.606
  279   3HD2  LEU  34          3HD2      LEU  34   6.829 -23.349 -23.349
  280   1HN   NH2  35          1HT       LEU  34   1.803 -23.473 -23.473
  281   2HN   NH2  35          2HT       LEU  34   0.273 -23.004 -23.004
  282   1H    ACE   2          1HA       ACE   2   1.405  26.307  26.307
  283   2H    ACE   2          2HA       ACE   2   0.314  25.466  25.466
  284   3H    ACE   2          3HA       ACE   2   0.724  24.745  24.745
  285    H    CYS   3           H        CYS   3   1.322  22.878  22.878
  286    HA   CYS   3           HA       CYS   3   4.097  23.157  23.157
  287   1HB   CYS   3          2HB       CYS   3   1.796  21.623  21.623
  288   2HB   CYS   3          1HB       CYS   3   3.476  21.240  21.240
  289    H    GLY   4           H        GLY   4   1.644  20.821  20.821
  290   1HA   GLY   4          2HA       GLY   4   2.990  19.753  19.753
  291   2HA   GLY   4          1HA       GLY   4   3.589  18.847  18.847
  292    H    GLY   5           H        GLY   5   2.380  17.234  17.234
  293   1HA   GLY   5          2HA       GLY   5   0.197  16.190  16.190
  294   2HA   GLY   5          1HA       GLY   5   0.706  15.655  15.655
  295    H    MET   6           H        MET   6   0.402  18.292  18.292
  296    HA   MET   6           HA       MET   6  -1.183  19.514  19.514
  297   1HB   MET   6          2HB       MET   6  -2.437  19.085  19.085
  298   2HB   MET   6          1HB       MET   6  -3.462  19.684  19.684
  299   1HG   MET   6          2HG       MET   6  -2.166  21.629  21.629
  300   2HG   MET   6          1HG       MET   6  -0.780  20.940  20.940
  301   1HE   MET   6          3HE       MET   6  -1.109  23.450  23.450
  302   2HE   MET   6          2HE       MET   6  -0.410  22.855  22.855
  303   3HE   MET   6          1HE       MET   6  -1.794  23.945  23.945
  304    H    ARG   7           H        ARG   7  -3.708  19.358  19.358
  305    HA   ARG   7           HA       ARG   7  -3.977  17.033  17.033
  306   1HB   ARG   7          2HB       ARG   7  -6.126  18.981  18.981
  307   2HB   ARG   7          1HB       ARG   7  -6.259  17.824  17.824
  308   1HG   ARG   7          2HG       ARG   7  -4.060  18.970  18.970
  309   2HG   ARG   7          1HG       ARG   7  -4.565  20.299  20.299
  310   1HD   ARG   7          2HD       ARG   7  -6.903  19.882  19.882
  311   2HD   ARG   7          1HD       ARG   7  -5.866  19.223  19.223
  312    HE   ARG   7           HE       ARG   7  -4.921  21.776  21.776
  313   1HH1  ARG   7          1HH1      ARG   7  -7.388  20.235  20.235
  314   2HH1  ARG   7          2HH1      ARG   7  -7.582  21.605  21.605
  315   1HH2  ARG   7          1HH2      ARG   7  -5.206  23.538  23.538
  316   2HH2  ARG   7          2HH2      ARG   7  -6.358  23.460  23.460
  317    H    ARG   8           H        ARG   8  -4.974  17.773  17.773
  318    HA   ARG   8           HA       ARG   8  -6.989  15.864  15.864
  319   1HB   ARG   8          2HB       ARG   8  -5.008  17.170  17.170
  320   2HB   ARG   8          1HB       ARG   8  -6.051  15.880  15.880
  321   1HG   ARG   8          2HG       ARG   8  -7.153  18.256  18.256
  322   2HG   ARG   8          1HG       ARG   8  -6.939  18.279  18.279
  323   1HD   ARG   8          2HD       ARG   8  -8.985  17.333  17.333
  324   2HD   ARG   8          1HD       ARG   8  -8.217  15.854  15.854
  325    HE   ARG   8           HE       ARG   8  -9.235  16.171  16.171
  326   1HH1  ARG   8          1HH1      ARG   8  -9.411  19.126  19.126
  327   2HH1  ARG   8          2HH1      ARG   8 -10.474  19.905  19.905
  328   1HH2  ARG   8          1HH2      ARG   8 -10.618  17.225  17.225
  329   2HH2  ARG   8          2HH2      ARG   8 -11.152  18.839  18.839
  330    H    LYS   9           H        LYS   9  -3.482  15.583  15.583
  331    HA   LYS   9           HA       LYS   9  -3.561  12.845  12.845
  332   1HB   LYS   9          2HB       LYS   9  -1.435  14.791  14.791
  333   2HB   LYS   9          1HB       LYS   9  -1.036  13.076  13.076
  334   1HG   LYS   9          2HG       LYS   9  -2.470  13.991  13.991
  335   2HG   LYS   9          1HG       LYS   9  -0.783  14.477  14.477
  336   1HD   LYS   9          2HD       LYS   9  -0.018  12.246  12.246
  337   2HD   LYS   9          1HD       LYS   9  -1.620  11.617  11.617
  338   1HE   LYS   9          2HE       LYS   9  -2.401  12.346  12.346
  339   2HE   LYS   9          1HE       LYS   9  -0.751  12.839  12.839
  340   1HZ   LYS   9          1HZ       LYS   9  -0.184  10.441  10.441
  341   2HZ   LYS   9          3HZ       LYS   9  -1.826  10.133  10.133
  342   3HZ   LYS   9          2HZ       LYS   9  -0.838  10.711  10.711
  343    H    ASN  10           H        ASN  10  -3.176  14.507  14.507
  344    HA   ASN  10           HA       ASN  10  -2.343  12.317  12.317
  345   1HB   ASN  10          2HB       ASN  10  -3.712  14.915  14.915
  346   2HB   ASN  10          1HB       ASN  10  -3.622  13.691  13.691
  347   1HD2  ASN  10          2HD2      ASN  10  -0.500  15.953  15.953
  348   2HD2  ASN  10          1HD2      ASN  10  -2.136  16.369  16.369
  349    H    ASP  11           H        ASP  11  -5.553  13.472  13.472
  350    HA   ASP  11           HA       ASP  11  -7.041  11.697  11.697
  351   1HB   ASP  11          2HB       ASP  11  -7.908  13.772  13.772
  352   2HB   ASP  11          1HB       ASP  11  -7.957  12.784  12.784
  353    H    THR  12           H        THR  12  -6.220  11.560  11.560
  354    HA   THR  12           HA       THR  12  -7.296   8.966   8.966
  355    HB   THR  12           HB       THR  12  -6.053   9.002   9.002
  356    HG1  THR  12           HG1      THR  12  -4.892  11.366  11.366
  357   1HG2  THR  12          3HG2      THR  12  -7.532  11.438  11.438
  358   2HG2  THR  12          2HG2      THR  12  -6.803  11.442  11.442
  359   3HG2  THR  12          1HG2      THR  12  -8.010  10.226  10.226
  360    H    HIS  13           H        HIS  13  -4.184  10.143  10.143
  361    HA   HIS  13           HA       HIS  13  -2.640   7.825   7.825
  362   1HB   HIS  13          2HB       HIS  13  -2.466  10.195  10.195
  363   2HB   HIS  13          1HB       HIS  13  -1.452   8.798   8.798
  364    HD1  HIS  13           HD1      HIS  13  -0.727   7.859   7.859
  365    HD2  HIS  13           HD2      HIS  13  -0.686  11.870  11.870
  366    HE1  HIS  13           HE1      HIS  13   0.826   9.045   9.045
  367    H    GLN  14           H        GLN  14  -4.796   8.792   8.792
  368    HA   GLN  14           HA       GLN  14  -4.144   6.603   6.603
  369   1HB   GLN  14          2HB       GLN  14  -6.497   8.500   8.500
  370   2HB   GLN  14          1HB       GLN  14  -6.293   7.258   7.258
  371   1HG   GLN  14          2HG       GLN  14  -3.998   8.250   8.250
  372   2HG   GLN  14          1HG       GLN  14  -4.464   9.599   9.599
  373   1HE2  GLN  14          2HE2      GLN  14  -5.654   9.639   9.639
  374   2HE2  GLN  14          1HE2      GLN  14  -4.404   8.655   8.655
  375    H    GLN  15           H        GLN  15  -6.580   7.202   7.202
  376    HA   GLN  15           HA       GLN  15  -8.183   4.916   4.916
  377   1HB   GLN  15          2HB       GLN  15  -8.506   7.040   7.040
  378   2HB   GLN  15          1HB       GLN  15  -7.888   5.902   5.902
  379   1HG   GLN  15          2HG       GLN  15 -10.108   5.331   5.331
  380   2HG   GLN  15          1HG       GLN  15  -9.665   4.295   4.295
  381   1HE2  GLN  15          2HE2      GLN  15 -11.403   6.267   6.267
  382   2HE2  GLN  15          1HE2      GLN  15 -10.180   5.109   5.109
  383    H    ASP  16           H        ASP  16  -5.582   5.492   5.492
  384    HA   ASP  16           HA       ASP  16  -5.549   2.904   2.904
  385   1HB   ASP  16          2HB       ASP  16  -4.278   5.154   5.154
  386   2HB   ASP  16          1HB       ASP  16  -2.979   4.391   4.391
  387    H    ILE  17           H        ILE  17  -3.838   4.301   4.301
  388    HA   ILE  17           HA       ILE  17  -2.163   2.098   2.098
  389    HB   ILE  17           HB       ILE  17  -3.210   4.419   4.419
  390   1HG1  ILE  17          2HG1      ILE  17  -0.365   3.553   3.553
  391   2HG1  ILE  17          1HG1      ILE  17  -1.278   4.495   4.495
  392   1HG2  ILE  17          3HG2      ILE  17  -1.893   1.939   1.939
  393   2HG2  ILE  17          2HG2      ILE  17  -1.438   3.497   3.497
  394   3HG2  ILE  17          1HG2      ILE  17  -3.118   2.963   2.963
  395   1HD1  ILE  17          3HD1      ILE  17  -0.793   5.301   5.301
  396   2HD1  ILE  17          2HD1      ILE  17   0.062   5.956   5.956
  397   3HD1  ILE  17          1HD1      ILE  17  -1.667   6.248   6.248
  398    H    ASP  18           H        ASP  18  -4.878   3.109   3.109
  399    HA   ASP  18           HA       ASP  18  -5.250   0.829   0.829
  400   1HB   ASP  18          2HB       ASP  18  -7.008   3.072   3.072
  401   2HB   ASP  18          1HB       ASP  18  -7.840   1.623   1.623
  402    H    ASP  19           H        ASP  19  -6.240   1.397   1.397
  403    HA   ASP  19           HA       ASP  19  -8.011  -0.857  -0.857
  404   1HB   ASP  19          2HB       ASP  19  -8.087   1.134   1.134
  405   2HB   ASP  19          1HB       ASP  19  -6.581   0.567   0.567
  406    H    LEU  20           H        LEU  20  -4.607  -0.250  -0.250
  407    HA   LEU  20           HA       LEU  20  -4.063  -2.730  -2.730
  408   1HB   LEU  20          2HB       LEU  20  -2.327  -0.700  -0.700
  409   2HB   LEU  20          1HB       LEU  20  -1.661  -2.196  -2.196
  410    HG   LEU  20           HG       LEU  20  -3.381  -0.359  -0.359
  411   1HD1  LEU  20          2HD1      LEU  20  -0.434  -0.214  -0.214
  412   2HD1  LEU  20          1HD1      LEU  20  -1.056   0.343   0.343
  413   3HD1  LEU  20          3HD1      LEU  20  -1.614   1.094   1.094
  414   1HD2  LEU  20          2HD2      LEU  20  -1.407  -2.590  -2.590
  415   2HD2  LEU  20          1HD2      LEU  20  -3.120  -2.537  -2.537
  416   3HD2  LEU  20          3HD2      LEU  20  -1.973  -1.500  -1.500
  417    H    LYS  21           H        LYS  21  -3.898  -1.635  -1.635
  418    HA   LYS  21           HA       LYS  21  -2.684  -3.931  -3.931
  419   1HB   LYS  21          2HB       LYS  21  -4.338  -1.692  -1.692
  420   2HB   LYS  21          1HB       LYS  21  -4.126  -3.123  -3.123
  421   1HG   LYS  21          2HG       LYS  21  -1.653  -2.933  -2.933
  422   2HG   LYS  21          1HG       LYS  21  -1.925  -1.422  -1.422
  423   1HD   LYS  21          2HD       LYS  21  -2.505  -0.267  -0.267
  424   2HD   LYS  21          1HD       LYS  21  -3.186  -1.693  -1.693
  425   1HE   LYS  21          2HE       LYS  21  -1.104  -2.458  -2.458
  426   2HE   LYS  21          1HE       LYS  21  -0.231  -1.569  -1.569
  427   1HZ   LYS  21          1HZ       LYS  21  -0.830   0.496   0.496
  428   2HZ   LYS  21          3HZ       LYS  21  -1.629  -0.379  -0.379
  429   3HZ   LYS  21          2HZ       LYS  21   0.054  -0.529  -0.529
  430    H    ARG  22           H        ARG  22  -6.038  -3.145  -3.145
  431    HA   ARG  22           HA       ARG  22  -7.268  -5.297  -5.297
  432   1HB   ARG  22          2HB       ARG  22  -8.417  -3.277  -3.277
  433   2HB   ARG  22          1HB       ARG  22  -8.252  -4.097  -4.097
  434   1HG   ARG  22          2HG       ARG  22  -9.524  -6.006  -6.006
  435   2HG   ARG  22          1HG       ARG  22  -9.607  -5.293  -5.293
  436   1HD   ARG  22          2HD       ARG  22 -11.088  -3.616  -3.616
  437   2HD   ARG  22          1HD       ARG  22 -10.628  -3.751  -3.751
  438    HE   ARG  22           HE       ARG  22 -11.768  -6.183  -6.183
  439   1HH1  ARG  22          1HH1      ARG  22 -12.782  -2.839  -2.839
  440   2HH1  ARG  22          2HH1      ARG  22 -14.453  -3.214  -3.214
  441   1HH2  ARG  22          1HH2      ARG  22 -13.956  -6.629  -6.629
  442   2HH2  ARG  22          2HH2      ARG  22 -15.114  -5.341  -5.341
  443    H    GLN  23           H        GLN  23  -6.327  -4.972  -4.972
  444    HA   GLN  23           HA       GLN  23  -6.995  -7.622  -7.622
  445   1HB   GLN  23          2HB       GLN  23  -5.391  -5.418  -5.418
  446   2HB   GLN  23          1HB       GLN  23  -5.112  -7.048  -7.048
  447   1HG   GLN  23          2HG       GLN  23  -7.953  -6.244  -6.244
  448   2HG   GLN  23          1HG       GLN  23  -7.070  -5.442  -5.442
  449   1HE2  GLN  23          2HE2      GLN  23  -7.675  -9.502  -9.502
  450   2HE2  GLN  23          1HE2      GLN  23  -7.746  -8.739  -8.739
  451    H    ASN  24           H        ASN  24  -3.852  -6.138  -6.138
  452    HA   ASN  24           HA       ASN  24  -2.312  -8.489  -8.489
  453   1HB   ASN  24          2HB       ASN  24  -1.836  -6.075  -6.075
  454   2HB   ASN  24          1HB       ASN  24  -0.633  -7.290  -7.290
  455   1HD2  ASN  24          2HD2      ASN  24   0.145  -4.947  -4.947
  456   2HD2  ASN  24          1HD2      ASN  24   0.605  -5.487  -5.487
  457    H    ALA  25           H        ALA  25  -4.303  -7.204  -7.204
  458    HA   ALA  25           HA       ALA  25  -3.316  -8.716  -8.716
  459   1HB   ALA  25          3HB       ALA  25  -6.005  -7.509  -7.509
  460   2HB   ALA  25          2HB       ALA  25  -5.752  -8.476  -8.476
  461   3HB   ALA  25          1HB       ALA  25  -4.812  -7.005  -7.005
  462    H    LEU  26           H        LEU  26  -5.889  -9.428  -9.428
  463    HA   LEU  26           HA       LEU  26  -6.489 -12.003 -12.003
  464   1HB   LEU  26          2HB       LEU  26  -7.274 -10.500 -10.500
  465   2HB   LEU  26          1HB       LEU  26  -7.531 -12.245 -12.245
  466    HG   LEU  26           HG       LEU  26  -8.526 -11.665 -11.665
  467   1HD1  LEU  26          1HD1      LEU  26  -8.841  -9.135  -9.135
  468   2HD1  LEU  26          3HD1      LEU  26  -9.835  -9.512  -9.512
  469   3HD1  LEU  26          2HD1      LEU  26  -8.095  -9.291  -9.291
  470   1HD2  LEU  26          1HD2      LEU  26  -9.926 -11.327 -11.327
  471   2HD2  LEU  26          3HD2      LEU  26  -9.788 -12.810 -12.810
  472   3HD2  LEU  26          2HD2      LEU  26 -10.774 -11.472 -11.472
  473    H    LEU  27           H        LEU  27  -4.319 -10.788 -10.788
  474    HA   LEU  27           HA       LEU  27  -3.719 -13.273 -13.273
  475   1HB   LEU  27          2HB       LEU  27  -2.149 -10.695 -10.695
  476   2HB   LEU  27          1HB       LEU  27  -1.645 -12.079 -12.079
  477    HG   LEU  27           HG       LEU  27  -4.337 -10.720 -10.720
  478   1HD1  LEU  27          2HD1      LEU  27  -2.139  -9.401  -9.401
  479   2HD1  LEU  27          1HD1      LEU  27  -2.103 -10.486 -10.486
  480   3HD1  LEU  27          3HD1      LEU  27  -3.486  -9.421  -9.421
  481   1HD2  LEU  27          1HD2      LEU  27  -2.935 -13.019 -13.019
  482   2HD2  LEU  27          3HD2      LEU  27  -4.656 -12.781 -12.781
  483   3HD2  LEU  27          2HD2      LEU  27  -3.881 -11.968 -11.968
  484    H    GLU  28           H        GLU  28  -1.801 -11.343 -11.343
  485    HA   GLU  28           HA       GLU  28   0.174 -13.258 -13.258
  486   1HB   GLU  28          2HB       GLU  28   0.591 -11.986 -11.986
  487   2HB   GLU  28          1HB       GLU  28   0.445 -10.940 -10.940
  488   1HG   GLU  28          2HG       GLU  28  -2.141 -11.006 -11.006
  489   2HG   GLU  28          1HG       GLU  28  -1.366 -11.238 -11.238
  490    H    GLN  29           H        GLN  29  -3.018 -12.831 -12.831
  491    HA   GLN  29           HA       GLN  29  -2.746 -14.527 -14.527
  492   1HB   GLN  29          2HB       GLN  29  -5.016 -13.439 -13.439
  493   2HB   GLN  29          1HB       GLN  29  -5.349 -14.862 -14.862
  494   1HG   GLN  29          2HG       GLN  29  -4.079 -13.539 -13.539
  495   2HG   GLN  29          1HG       GLN  29  -4.442 -12.132 -12.132
  496   1HE2  GLN  29          2HE2      GLN  29  -7.357 -13.763 -13.763
  497   2HE2  GLN  29          1HE2      GLN  29  -5.742 -14.273 -14.273
  498    H    GLN  30           H        GLN  30  -3.359 -15.174 -15.174
  499    HA   GLN  30           HA       GLN  30  -3.803 -18.024 -18.024
  500   1HB   GLN  30          2HB       GLN  30  -4.232 -16.213 -16.213
  501   2HB   GLN  30          1HB       GLN  30  -3.883 -17.908 -17.908
  502   1HG   GLN  30          2HG       GLN  30  -6.288 -17.655 -17.655
  503   2HG   GLN  30          1HG       GLN  30  -5.710 -18.543 -18.543
  504   1HE2  GLN  30          2HE2      GLN  30  -6.622 -16.017 -16.017
  505   2HE2  GLN  30          1HE2      GLN  30  -5.838 -17.506 -17.506
  506    H    VAL  31           H        VAL  31  -1.530 -15.851 -15.851
  507    HA   VAL  31           HA       VAL  31   0.169 -17.820 -17.820
  508    HB   VAL  31           HB       VAL  31   0.935 -15.052 -15.052
  509   1HG1  VAL  31          3HG1      VAL  31   2.191 -17.062 -17.062
  510   2HG1  VAL  31          2HG1      VAL  31   2.580 -15.344 -15.344
  511   3HG1  VAL  31          1HG1      VAL  31   2.924 -16.252 -16.252
  512   1HG2  VAL  31          3HG2      VAL  31  -1.031 -15.604 -15.604
  513   2HG2  VAL  31          2HG2      VAL  31  -0.015 -14.163 -14.163
  514   3HG2  VAL  31          1HG2      VAL  31   0.385 -15.568 -15.568
  515    H    ARG  32           H        ARG  32  -0.050 -16.385 -16.385
  516    HA   ARG  32           HA       ARG  32   2.434 -17.212 -17.212
  517   1HB   ARG  32          2HB       ARG  32   0.833 -15.620 -15.620
  518   2HB   ARG  32          1HB       ARG  32  -0.158 -17.013 -17.013
  519   1HG   ARG  32          2HG       ARG  32   1.982 -17.996 -17.996
  520   2HG   ARG  32          1HG       ARG  32   2.651 -16.369 -16.369
  521   1HD   ARG  32          2HD       ARG  32   0.768 -15.480 -15.480
  522   2HD   ARG  32          1HD       ARG  32   0.096 -17.101 -17.101
  523    HE   ARG  32           HE       ARG  32   1.646 -17.539 -17.539
  524   1HH1  ARG  32          1HH1      ARG  32   2.660 -14.724 -14.724
  525   2HH1  ARG  32          2HH1      ARG  32   3.970 -14.364 -14.364
  526   1HH2  ARG  32          1HH2      ARG  32   3.366 -17.035 -17.035
  527   2HH2  ARG  32          2HH2      ARG  32   4.368 -15.661 -15.661
  528    H    ALA  33           H        ALA  33  -0.597 -18.908 -18.908
  529    HA   ALA  33           HA       ALA  33  -0.070 -21.150 -21.150
  530   1HB   ALA  33          2HB       ALA  33  -1.809 -20.803 -20.803
  531   2HB   ALA  33          1HB       ALA  33  -1.730 -22.309 -22.309
  532   3HB   ALA  33          3HB       ALA  33  -2.314 -20.838 -20.838
  533    H    LEU  34           H        LEU  34   0.847 -20.311 -20.311
  534    HA   LEU  34           HA       LEU  34   2.086 -22.945 -22.945
  535   1HB   LEU  34          2HB       LEU  34   1.146 -20.772 -20.772
  536   2HB   LEU  34          1HB       LEU  34   2.649 -21.540 -21.540
  537    HG   LEU  34           HG       LEU  34   0.692 -22.675 -22.675
  538   1HD1  LEU  34          2HD1      LEU  34   2.849 -23.876 -23.876
  539   2HD1  LEU  34          1HD1      LEU  34   1.717 -24.577 -24.577
  540   3HD1  LEU  34          3HD1      LEU  34   1.481 -24.833 -24.833
  541   1HD2  LEU  34          1HD2      LEU  34  -0.650 -22.111 -22.111
  542   2HD2  LEU  34          3HD2      LEU  34  -1.091 -23.485 -23.485
  543   3HD2  LEU  34          2HD2      LEU  34  -0.116 -23.734 -23.734
  544   1HN   NH2  35          1HT       LEU  34   4.079 -22.984 -22.984
  545   2HN   NH2  35          2HT       LEU  34   5.290 -21.809 -21.809

  Start of MODEL   21
    1   1H    ACE   2          1HA       ACE   2  -4.068  22.531  22.531
    2   2H    ACE   2          2HA       ACE   2  -4.030  24.291  24.291
    3   3H    ACE   2          3HA       ACE   2  -3.325  23.473  23.473
    4    H    CYS   3           H        CYS   3  -2.879  21.985  21.985
    5    HA   CYS   3           HA       CYS   3  -1.026  21.624  21.624
    6   1HB   CYS   3          2HB       CYS   3  -0.245  24.400  24.400
    7   2HB   CYS   3          1HB       CYS   3   0.452  23.531  23.531
    8    H    GLY   4           H        GLY   4   0.075  19.997  19.997
    9   1HA   GLY   4          2HA       GLY   4   2.106  20.730  20.730
   10   2HA   GLY   4          1HA       GLY   4   1.219  19.208  19.208
   11    H    GLY   5           H        GLY   5   2.945  21.037  21.037
   12   1HA   GLY   5          2HA       GLY   5   4.612  20.413  20.413
   13   2HA   GLY   5          1HA       GLY   5   5.076  19.195  19.195
   14    H    VAL   6           H        VAL   6   3.015  19.886  19.886
   15    HA   VAL   6           HA       VAL   6   1.946  17.221  17.221
   16    HB   VAL   6           HB       VAL   6   0.730  19.172  19.172
   17   1HG1  VAL   6          3HG1      VAL   6   3.041  19.290  19.290
   18   2HG1  VAL   6          2HG1      VAL   6   1.539  20.200  20.200
   19   3HG1  VAL   6          1HG1      VAL   6   2.616  20.515  20.515
   20   1HG2  VAL   6          1HG2      VAL   6   0.644  16.758  16.758
   21   2HG2  VAL   6          3HG2      VAL   6  -0.095  18.077  18.077
   22   3HG2  VAL   6          2HG2      VAL   6   1.499  17.472  17.472
   23    H    GLN   7           H        GLN   7   4.697  18.952  18.952
   24    HA   GLN   7           HA       GLN   7   5.399  17.159  17.159
   25   1HB   GLN   7          2HB       GLN   7   6.845  19.239  19.239
   26   2HB   GLN   7          1HB       GLN   7   7.803  18.088  18.088
   27   1HG   GLN   7          2HG       GLN   7   6.800  18.736  18.736
   28   2HG   GLN   7          1HG       GLN   7   5.469  19.556  19.556
   29   1HE2  GLN   7          2HE2      GLN   7   7.648  22.342  22.342
   30   2HE2  GLN   7          1HE2      GLN   7   6.509  21.311  21.311
   31    H    ALA   8           H        ALA   8   6.155  17.227  17.227
   32    HA   ALA   8           HA       ALA   8   7.937  14.960  14.960
   33   1HB   ALA   8          1HB       ALA   8   8.128  16.734  16.734
   34   2HB   ALA   8          3HB       ALA   8   6.600  16.175  16.175
   35   3HB   ALA   8          2HB       ALA   8   8.004  15.107  15.107
   36    H    GLU   9           H        GLU   9   4.549  15.532  15.532
   37    HA   GLU   9           HA       GLU   9   4.039  12.881  12.881
   38   1HB   GLU   9          2HB       GLU   9   2.345  15.235  15.235
   39   2HB   GLU   9          1HB       GLU   9   1.589  13.653  13.653
   40   1HG   GLU   9          2HG       GLU   9   2.450  13.465  13.465
   41   2HG   GLU   9          1HG       GLU   9   3.359  14.965  14.965
   42    H    GLU  10           H        GLU  10   3.909  14.492  14.492
   43    HA   GLU  10           HA       GLU  10   2.447  12.457  12.457
   44   1HB   GLU  10          2HB       GLU  10   2.801  14.867  14.867
   45   2HB   GLU  10          1HB       GLU  10   4.415  14.361  14.361
   46   1HG   GLU  10          2HG       GLU  10   3.205  12.449  12.449
   47   2HG   GLU  10          1HG       GLU  10   1.745  13.414  13.414
   48    H    GLN  11           H        GLN  11   5.907  13.218  13.218
   49    HA   GLN  11           HA       GLN  11   6.869  11.162  11.162
   50   1HB   GLN  11          2HB       GLN  11   9.011  11.439  11.439
   51   2HB   GLN  11          1HB       GLN  11   8.328  12.974  12.974
   52   1HG   GLN  11          2HG       GLN  11   7.453  13.430  13.430
   53   2HG   GLN  11          1HG       GLN  11   7.909  11.822  11.822
   54   1HE2  GLN  11          2HE2      GLN  11  11.268  12.705  12.705
   55   2HE2  GLN  11          1HE2      GLN  11  10.099  11.474  11.474
   56    H    LYS  12           H        LYS  12   5.839  11.176  11.176
   57    HA   LYS  12           HA       LYS  12   6.924   8.577   8.577
   58   1HB   LYS  12          2HB       LYS  12   6.267  10.541  10.541
   59   2HB   LYS  12          1HB       LYS  12   4.666   9.802   9.802
   60   1HG   LYS  12          2HG       LYS  12   5.604   8.649   8.649
   61   2HG   LYS  12          1HG       LYS  12   6.002   7.575   7.575
   62   1HD   LYS  12          2HD       LYS  12   8.243   8.223   8.223
   63   2HD   LYS  12          1HD       LYS  12   7.909   9.774   9.774
   64   1HE   LYS  12          2HE       LYS  12   7.617   8.772   8.772
   65   2HE   LYS  12          1HE       LYS  12   7.494   7.155   7.155
   66   1HZ   LYS  12          1HZ       LYS  12   9.851   7.630   7.630
   67   2HZ   LYS  12          3HZ       LYS  12   9.883   8.848   8.848
   68   3HZ   LYS  12          2HZ       LYS  12   9.650   7.230   7.230
   69    H    LEU  13           H        LEU  13   3.862   9.865   9.865
   70    HA   LEU  13           HA       LEU  13   2.368   7.445   7.445
   71   1HB   LEU  13          2HB       LEU  13   1.906  10.003  10.003
   72   2HB   LEU  13          1HB       LEU  13   0.833   8.623   8.623
   73    HG   LEU  13           HG       LEU  13   1.509   9.541   9.541
   74   1HD1  LEU  13          1HD1      LEU  13  -0.666  10.671  10.671
   75   2HD1  LEU  13          3HD1      LEU  13  -0.500  10.992  10.992
   76   3HD1  LEU  13          2HD1      LEU  13   0.737  11.554  11.554
   77   1HD2  LEU  13          3HD2      LEU  13  -0.748   8.052   8.052
   78   2HD2  LEU  13          2HD2      LEU  13   0.332   7.470   7.470
   79   3HD2  LEU  13          1HD2      LEU  13  -0.897   8.678   8.678
   80    H    ILE  14           H        ILE  14   4.054   8.960   8.960
   81    HA   ILE  14           HA       ILE  14   3.296   7.074   7.074
   82    HB   ILE  14           HB       ILE  14   5.839   8.718   8.718
   83   1HG1  ILE  14          2HG1      ILE  14   3.430   9.521   9.521
   84   2HG1  ILE  14          1HG1      ILE  14   3.396   9.799   9.799
   85   1HG2  ILE  14          1HG2      ILE  14   5.731   6.844   6.844
   86   2HG2  ILE  14          3HG2      ILE  14   4.318   7.634   7.634
   87   3HG2  ILE  14          2HG2      ILE  14   5.881   8.450   8.450
   88   1HD1  ILE  14          1HD1      ILE  14   5.723  10.668  10.668
   89   2HD1  ILE  14          3HD1      ILE  14   4.330  11.709  11.709
   90   3HD1  ILE  14          2HD1      ILE  14   5.340  11.178  11.178
   91    H    SER  15           H        SER  15   6.328   7.380   7.380
   92    HA   SER  15           HA       SER  15   7.533   5.025   5.025
   93   1HB   SER  15          2HB       SER  15   8.624   6.887   6.887
   94   2HB   SER  15          1HB       SER  15   7.911   6.144   6.144
   95    HG   SER  15           HG       SER  15   9.039   4.256   4.256
   96    H    GLU  16           H        GLU  16   5.257   5.583   5.583
   97    HA   GLU  16           HA       GLU  16   5.468   3.001   3.001
   98   1HB   GLU  16          2HB       GLU  16   3.541   5.274   5.274
   99   2HB   GLU  16          1HB       GLU  16   3.003   3.693   3.693
  100   1HG   GLU  16          2HG       GLU  16   5.072   3.558   3.558
  101   2HG   GLU  16          1HG       GLU  16   5.453   5.213   5.213
  102    H    GLU  17           H        GLU  17   3.299   4.411   4.411
  103    HA   GLU  17           HA       GLU  17   1.658   2.111   2.111
  104   1HB   GLU  17          2HB       GLU  17   1.077   4.446   4.446
  105   2HB   GLU  17          1HB       GLU  17   2.222   4.232   4.232
  106   1HG   GLU  17          2HG       GLU  17   0.827   1.965   1.965
  107   2HG   GLU  17          1HG       GLU  17  -0.431   2.943   2.943
  108    H    ASP  18           H        ASP  18   4.648   3.208   3.208
  109    HA   ASP  18           HA       ASP  18   4.720   1.301   1.301
  110   1HB   ASP  18          2HB       ASP  18   6.196   3.466   3.466
  111   2HB   ASP  18          1HB       ASP  18   7.266   2.258   2.258
  112    H    LEU  19           H        LEU  19   5.796   1.274   1.274
  113    HA   LEU  19           HA       LEU  19   7.343  -1.084  -1.084
  114   1HB   LEU  19          2HB       LEU  19   6.880   0.729   0.729
  115   2HB   LEU  19          1HB       LEU  19   5.730  -0.504  -0.504
  116    HG   LEU  19           HG       LEU  19   7.782  -2.128  -2.128
  117   1HD1  LEU  19          1HD1      LEU  19   9.243  -0.349  -0.349
  118   2HD1  LEU  19          3HD1      LEU  19   9.104   0.534   0.534
  119   3HD1  LEU  19          2HD1      LEU  19   9.915  -1.031  -1.031
  120   1HD2  LEU  19          1HD2      LEU  19   7.065  -0.400  -0.400
  121   2HD2  LEU  19          3HD2      LEU  19   6.994  -2.155  -2.155
  122   3HD2  LEU  19          2HD2      LEU  19   8.542  -1.355  -1.355
  123    H    LEU  20           H        LEU  20   3.898  -0.543  -0.543
  124    HA   LEU  20           HA       LEU  20   3.216  -3.215  -3.215
  125   1HB   LEU  20          2HB       LEU  20   1.717  -0.785  -0.785
  126   2HB   LEU  20          1HB       LEU  20   0.909  -2.346  -2.346
  127    HG   LEU  20           HG       LEU  20   2.323  -1.596  -1.596
  128   1HD1  LEU  20          3HD1      LEU  20   0.645   0.199   0.199
  129   2HD1  LEU  20          2HD1      LEU  20  -0.599  -1.040  -1.040
  130   3HD1  LEU  20          1HD1      LEU  20   0.350  -0.555  -0.555
  131   1HD2  LEU  20          2HD2      LEU  20  -0.042  -3.379  -3.379
  132   2HD2  LEU  20          1HD2      LEU  20   1.599  -3.928  -3.928
  133   3HD2  LEU  20          3HD2      LEU  20   0.643  -3.160  -3.160
  134    H    ARG  21           H        ARG  21   3.465  -1.448  -1.448
  135    HA   ARG  21           HA       ARG  21   2.270  -3.373  -3.373
  136   1HB   ARG  21          2HB       ARG  21   4.381  -1.276  -1.276
  137   2HB   ARG  21          1HB       ARG  21   3.672  -2.280  -2.280
  138   1HG   ARG  21          2HG       ARG  21   1.389  -1.486  -1.486
  139   2HG   ARG  21          1HG       ARG  21   2.305  -0.240  -0.240
  140   1HD   ARG  21          2HD       ARG  21   3.285   0.487   0.487
  141   2HD   ARG  21          1HD       ARG  21   2.337  -0.738  -0.738
  142    HE   ARG  21           HE       ARG  21   0.630   0.933   0.933
  143   1HH1  ARG  21          1HH1      ARG  21   2.566   0.928   0.928
  144   2HH1  ARG  21          2HH1      ARG  21   1.586   2.113   2.113
  145   1HH2  ARG  21          1HH2      ARG  21  -0.622   2.476   2.476
  146   2HH2  ARG  21          2HH2      ARG  21  -0.205   2.983   2.983
  147    H    LYS  22           H        LYS  22   5.499  -3.053  -3.053
  148    HA   LYS  22           HA       LYS  22   6.799  -4.956  -4.956
  149   1HB   LYS  22          2HB       LYS  22   7.738  -3.227  -3.227
  150   2HB   LYS  22          1HB       LYS  22   7.631  -4.634  -4.634
  151   1HG   LYS  22          2HG       LYS  22   9.049  -5.931  -5.931
  152   2HG   LYS  22          1HG       LYS  22   8.996  -4.691  -4.691
  153   1HD   LYS  22          2HD       LYS  22   9.938  -3.172  -3.172
  154   2HD   LYS  22          1HD       LYS  22  10.526  -4.730  -4.730
  155   1HE   LYS  22          2HE       LYS  22  11.791  -5.109  -5.109
  156   2HE   LYS  22          1HE       LYS  22  10.970  -3.809  -3.809
  157   1HZ   LYS  22          2HZ       LYS  22  12.686  -3.415  -3.415
  158   2HZ   LYS  22          1HZ       LYS  22  13.208  -3.200  -3.200
  159   3HZ   LYS  22          3HZ       LYS  22  11.993  -2.201  -2.201
  160    H    ARG  23           H        ARG  23   5.216  -5.214  -5.214
  161    HA   ARG  23           HA       ARG  23   5.733  -7.958  -7.958
  162   1HB   ARG  23          2HB       ARG  23   4.801  -6.194  -6.194
  163   2HB   ARG  23          1HB       ARG  23   3.228  -6.590  -6.590
  164   1HG   ARG  23          2HG       ARG  23   3.796  -9.039  -9.039
  165   2HG   ARG  23          1HG       ARG  23   5.140  -8.437  -8.437
  166   1HD   ARG  23          2HD       ARG  23   3.613  -7.191  -7.191
  167   2HD   ARG  23          1HD       ARG  23   2.248  -7.630  -7.630
  168    HE   ARG  23           HE       ARG  23   2.181  -9.690  -9.690
  169   1HH1  ARG  23          1HH1      ARG  23   5.263  -8.153  -8.153
  170   2HH1  ARG  23          2HH1      ARG  23   5.754  -9.344  -9.344
  171   1HH2  ARG  23          1HH2      ARG  23   2.859 -11.221 -11.221
  172   2HH2  ARG  23          2HH2      ARG  23   4.405 -11.068 -11.068
  173    H    ARG  24           H        ARG  24   3.180  -6.252  -6.252
  174    HA   ARG  24           HA       ARG  24   1.443  -8.448  -8.448
  175   1HB   ARG  24          2HB       ARG  24   1.236  -5.817  -5.817
  176   2HB   ARG  24          1HB       ARG  24   1.642  -6.382  -6.382
  177   1HG   ARG  24          2HG       ARG  24  -0.299  -7.620  -7.620
  178   2HG   ARG  24          1HG       ARG  24  -0.435  -7.892  -7.892
  179   1HD   ARG  24          2HD       ARG  24  -0.779  -5.137  -5.137
  180   2HD   ARG  24          1HD       ARG  24  -2.116  -6.269  -6.269
  181    HE   ARG  24           HE       ARG  24  -2.076  -6.167  -6.167
  182   1HH1  ARG  24          1HH1      ARG  24   0.340  -4.067  -4.067
  183   2HH1  ARG  24          2HH1      ARG  24   0.562  -3.157  -3.157
  184   1HH2  ARG  24          1HH2      ARG  24  -1.738  -4.950  -4.950
  185   2HH2  ARG  24          2HH2      ARG  24  -0.593  -3.651  -3.651
  186    H    GLU  25           H        GLU  25   4.293  -7.291  -7.291
  187    HA   GLU  25           HA       GLU  25   4.016  -8.878  -8.878
  188   1HB   GLU  25          2HB       GLU  25   5.572  -6.931  -6.931
  189   2HB   GLU  25          1HB       GLU  25   6.584  -7.909  -7.909
  190   1HG   GLU  25          2HG       GLU  25   5.902  -9.299  -9.299
  191   2HG   GLU  25          1HG       GLU  25   6.772  -7.792  -7.792
  192    H    GLN  26           H        GLN  26   5.431  -9.451  -9.451
  193    HA   GLN  26           HA       GLN  26   6.572 -12.003 -12.003
  194   1HB   GLN  26          2HB       GLN  26   6.057 -10.835 -10.835
  195   2HB   GLN  26          1HB       GLN  26   7.074 -12.230 -12.230
  196   1HG   GLN  26          2HG       GLN  26   7.570  -9.550  -9.550
  197   2HG   GLN  26          1HG       GLN  26   8.249  -9.945  -9.945
  198   1HE2  GLN  26          2HE2      GLN  26  10.528 -11.025 -11.025
  199   2HE2  GLN  26          1HE2      GLN  26   9.681  -9.577  -9.577
  200    H    LEU  27           H        LEU  27   3.597 -10.827 -10.827
  201    HA   LEU  27           HA       LEU  27   2.615 -13.264 -13.264
  202   1HB   LEU  27          2HB       LEU  27   1.314 -10.714 -10.714
  203   2HB   LEU  27          1HB       LEU  27   0.327 -12.108 -12.108
  204    HG   LEU  27           HG       LEU  27   2.521 -11.160 -11.160
  205   1HD1  LEU  27          3HD1      LEU  27  -0.109  -9.881  -9.881
  206   2HD1  LEU  27          2HD1      LEU  27   0.343 -10.055 -10.055
  207   3HD1  LEU  27          1HD1      LEU  27   1.388  -9.160  -9.160
  208   1HD2  LEU  27          2HD2      LEU  27  -0.069 -12.704 -12.704
  209   2HD2  LEU  27          1HD2      LEU  27   1.571 -13.294 -13.294
  210   3HD2  LEU  27          3HD2      LEU  27   0.862 -12.124 -12.124
  211    H    LYS  28           H        LYS  28   1.869 -11.632 -11.632
  212    HA   LYS  28           HA       LYS  28   0.327 -13.724 -13.724
  213   1HB   LYS  28          2HB       LYS  28   0.753 -12.650 -12.650
  214   2HB   LYS  28          1HB       LYS  28   0.278 -11.480 -11.480
  215   1HG   LYS  28          2HG       LYS  28   2.121 -10.342 -10.342
  216   2HG   LYS  28          1HG       LYS  28   2.990 -11.483 -11.483
  217   1HD   LYS  28          2HD       LYS  28   3.309 -12.985 -12.985
  218   2HD   LYS  28          1HD       LYS  28   2.433 -11.852 -11.852
  219   1HE   LYS  28          2HE       LYS  28   4.211 -10.123 -10.123
  220   2HE   LYS  28          1HE       LYS  28   5.156 -11.575 -11.575
  221   1HZ   LYS  28          1HZ       LYS  28   4.882 -12.242 -12.242
  222   2HZ   LYS  28          3HZ       LYS  28   3.980 -10.843 -10.843
  223   3HZ   LYS  28          2HZ       LYS  28   5.621 -10.716 -10.716
  224    H    HIS  29           H        HIS  29   3.784 -13.219 -13.219
  225    HA   HIS  29           HA       HIS  29   4.615 -15.009 -15.009
  226   1HB   HIS  29          2HB       HIS  29   5.854 -13.782 -13.782
  227   2HB   HIS  29          1HB       HIS  29   6.622 -15.245 -15.245
  228    HD1  HIS  29           HD1      HIS  29   6.180 -14.850 -14.850
  229    HD2  HIS  29           HD2      HIS  29   7.507 -11.828 -11.828
  230    HE1  HIS  29           HE1      HIS  29   7.387 -13.166 -13.166
  231    H    LYS  30           H        LYS  30   3.959 -15.508 -15.508
  232    HA   LYS  30           HA       LYS  30   4.667 -18.245 -18.245
  233   1HB   LYS  30          2HB       LYS  30   3.047 -16.416 -16.416
  234   2HB   LYS  30          1HB       LYS  30   2.864 -18.153 -18.153
  235   1HG   LYS  30          2HG       LYS  30   5.159 -18.437 -18.437
  236   2HG   LYS  30          1HG       LYS  30   5.587 -16.856 -16.856
  237   1HD   LYS  30          2HD       LYS  30   5.556 -16.337 -16.337
  238   2HD   LYS  30          1HD       LYS  30   3.867 -16.019 -16.019
  239   1HE   LYS  30          2HE       LYS  30   3.593 -17.406 -17.406
  240   2HE   LYS  30          1HE       LYS  30   3.605 -18.606 -18.606
  241   1HZ   LYS  30          1HZ       LYS  30   6.137 -17.782 -17.782
  242   2HZ   LYS  30          3HZ       LYS  30   5.144 -18.903 -18.903
  243   3HZ   LYS  30          2HZ       LYS  30   5.739 -19.249 -19.249
  244    H    LEU  31           H        LEU  31   1.667 -16.574 -16.574
  245    HA   LEU  31           HA       LEU  31   0.085 -18.970 -18.970
  246   1HB   LEU  31          2HB       LEU  31  -0.594 -16.385 -16.385
  247   2HB   LEU  31          1HB       LEU  31  -0.740 -16.537 -16.537
  248    HG   LEU  31           HG       LEU  31  -1.979 -18.574 -18.574
  249   1HD1  LEU  31          1HD1      LEU  31  -2.789 -16.272 -16.272
  250   2HD1  LEU  31          3HD1      LEU  31  -3.325 -16.077 -16.077
  251   3HD1  LEU  31          2HD1      LEU  31  -4.055 -17.314 -17.314
  252   1HD2  LEU  31          2HD2      LEU  31  -2.091 -17.825 -17.825
  253   2HD2  LEU  31          1HD2      LEU  31  -2.140 -19.422 -19.422
  254   3HD2  LEU  31          3HD2      LEU  31  -3.582 -18.407 -18.407
  255    H    GLU  32           H        GLU  32   1.741 -16.864 -16.864
  256    HA   GLU  32           HA       GLU  32   0.848 -18.105 -18.105
  257   1HB   GLU  32          2HB       GLU  32   2.303 -15.909 -15.909
  258   2HB   GLU  32          1HB       GLU  32   3.621 -17.025 -17.025
  259   1HG   GLU  32          2HG       GLU  32   2.860 -17.424 -17.424
  260   2HG   GLU  32          1HG       GLU  32   1.210 -16.933 -16.933
  261    H    GLN  33           H        GLN  33   3.361 -18.937 -18.937
  262    HA   GLN  33           HA       GLN  33   4.343 -21.082 -21.082
  263   1HB   GLN  33          2HB       GLN  33   5.379 -20.070 -20.070
  264   2HB   GLN  33          1HB       GLN  33   6.126 -21.346 -21.346
  265   1HG   GLN  33          2HG       GLN  33   5.550 -18.762 -18.762
  266   2HG   GLN  33          1HG       GLN  33   6.886 -18.784 -18.784
  267   1HE2  GLN  33          2HE2      GLN  33   7.189 -20.921 -20.921
  268   2HE2  GLN  33          1HE2      GLN  33   5.678 -20.324 -20.324
  269    H    LEU  34           H        LEU  34   1.715 -21.334 -21.334
  270    HA   LEU  34           HA       LEU  34   2.083 -23.672 -23.672
  271   1HB   LEU  34          2HB       LEU  34   0.241 -21.350 -21.350
  272   2HB   LEU  34          1HB       LEU  34  -0.391 -22.944 -22.944
  273    HG   LEU  34           HG       LEU  34   2.223 -21.851 -21.851
  274   1HD1  LEU  34          3HD1      LEU  34  -0.079 -20.692 -20.692
  275   2HD1  LEU  34          2HD1      LEU  34  -0.253 -22.111 -22.111
  276   3HD1  LEU  34          1HD1      LEU  34   1.127 -21.033 -21.033
  277   1HD2  LEU  34          3HD2      LEU  34   0.537 -24.302 -24.302
  278   2HD2  LEU  34          2HD2      LEU  34   2.277 -24.192 -24.192
  279   3HD2  LEU  34          1HD2      LEU  34   1.590 -23.690 -23.690
  280   1HN   NH2  35          1HT       LEU  34   1.399 -25.502 -25.502
  281   2HN   NH2  35          2HT       LEU  34   0.159 -25.550 -25.550
  282   1H    ACE   2          1HA       ACE   2   1.177  28.275  28.275
  283   2H    ACE   2          2HA       ACE   2   1.904  28.369  28.369
  284   3H    ACE   2          3HA       ACE   2   0.311  29.068  29.068
  285    H    CYS   3           H        CYS   3  -1.452  27.595  27.595
  286    HA   CYS   3           HA       CYS   3  -1.067  24.761  24.761
  287   1HB   CYS   3          2HB       CYS   3  -2.371  26.625  26.625
  288   2HB   CYS   3          1HB       CYS   3  -3.040  25.006  25.006
  289    H    GLY   4           H        GLY   4  -2.180  23.847  23.847
  290   1HA   GLY   4          2HA       GLY   4  -4.838  24.964  24.964
  291   2HA   GLY   4          1HA       GLY   4  -3.729  24.346  24.346
  292    H    GLY   5           H        GLY   5  -3.904  22.275  22.275
  293   1HA   GLY   5          2HA       GLY   5  -5.934  20.613  20.613
  294   2HA   GLY   5          1HA       GLY   5  -4.860  20.167  20.167
  295    H    MET   6           H        MET   6  -4.684  20.887  20.887
  296    HA   MET   6           HA       MET   6  -2.374  19.200  19.200
  297   1HB   MET   6          2HB       MET   6  -3.418  21.293  21.293
  298   2HB   MET   6          1HB       MET   6  -3.959  19.925  19.925
  299   1HG   MET   6          2HG       MET   6  -1.862  20.239  20.239
  300   2HG   MET   6          1HG       MET   6  -1.441  19.128  19.128
  301   1HE   MET   6          1HE       MET   6   0.467  20.688  20.688
  302   2HE   MET   6          3HE       MET   6   1.248  22.055  22.055
  303   3HE   MET   6          2HE       MET   6  -0.189  22.314  22.314
  304    H    ARG   7           H        ARG   7  -5.776  19.044  19.044
  305    HA   ARG   7           HA       ARG   7  -5.529  16.379  16.379
  306   1HB   ARG   7          2HB       ARG   7  -7.786  18.288  18.288
  307   2HB   ARG   7          1HB       ARG   7  -8.155  16.583  16.583
  308   1HG   ARG   7          2HG       ARG   7  -6.179  17.787  17.787
  309   2HG   ARG   7          1HG       ARG   7  -7.838  18.365  18.365
  310   1HD   ARG   7          2HD       ARG   7  -8.324  15.727  15.727
  311   2HD   ARG   7          1HD       ARG   7  -6.714  15.658  15.658
  312    HE   ARG   7           HE       ARG   7  -8.009  17.463  17.463
  313   1HH1  ARG   7          1HH1      ARG   7  -8.774  14.218  14.218
  314   2HH1  ARG   7          2HH1      ARG   7  -9.687  13.846  13.846
  315   1HH2  ARG   7          1HH2      ARG   7  -9.209  16.935  16.935
  316   2HH2  ARG   7          2HH2      ARG   7  -9.933  15.369  15.369
  317    H    ARG   8           H        ARG   8  -6.474  17.805  17.805
  318    HA   ARG   8           HA       ARG   8  -7.744  15.575  15.575
  319   1HB   ARG   8          2HB       ARG   8  -6.404  18.030  18.030
  320   2HB   ARG   8          1HB       ARG   8  -6.722  16.716  16.716
  321   1HG   ARG   8          2HG       ARG   8  -9.112  16.751  16.751
  322   2HG   ARG   8          1HG       ARG   8  -8.658  18.417  18.417
  323   1HD   ARG   8          2HD       ARG   8  -7.973  18.480  18.480
  324   2HD   ARG   8          1HD       ARG   8  -9.067  17.109  17.109
  325    HE   ARG   8           HE       ARG   8 -10.380  19.173  19.173
  326   1HH1  ARG   8          1HH1      ARG   8  -9.170  18.463  18.463
  327   2HH1  ARG   8          2HH1      ARG   8 -10.342  19.464  19.464
  328   1HH2  ARG   8          1HH2      ARG   8 -11.888  20.467  20.467
  329   2HH2  ARG   8          2HH2      ARG   8 -11.867  20.589  20.589
  330    H    LYS   9           H        LYS   9  -4.354  16.655  16.655
  331    HA   LYS   9           HA       LYS   9  -3.400  14.537  14.537
  332   1HB   LYS   9          2HB       LYS   9  -2.116  16.469  16.469
  333   2HB   LYS   9          1HB       LYS   9  -1.174  15.122  15.122
  334   1HG   LYS   9          2HG       LYS   9  -1.730  15.815  15.815
  335   2HG   LYS   9          1HG       LYS   9  -2.691  17.153  17.153
  336   1HD   LYS   9          2HD       LYS   9  -0.663  18.066  18.066
  337   2HD   LYS   9          1HD       LYS   9   0.289  16.754  16.754
  338   1HE   LYS   9          2HE       LYS   9  -1.382  18.528  18.528
  339   2HE   LYS   9          1HE       LYS   9   0.224  19.041  19.041
  340   1HZ   LYS   9          2HZ       LYS   9   1.022  16.827  16.827
  341   2HZ   LYS   9          1HZ       LYS   9  -0.500  16.627  16.627
  342   3HZ   LYS   9          3HZ       LYS   9   0.503  17.911  17.911
  343    H    ASN  10           H        ASN  10  -3.633  14.921  14.921
  344    HA   ASN  10           HA       ASN  10  -2.385  12.417  12.417
  345   1HB   ASN  10          2HB       ASN  10  -3.989  14.416  14.416
  346   2HB   ASN  10          1HB       ASN  10  -3.621  12.837  12.837
  347   1HD2  ASN  10          2HD2      ASN  10  -0.709  15.639  15.639
  348   2HD2  ASN  10          1HD2      ASN  10  -2.293  15.960  15.960
  349    H    ASP  11           H        ASP  11  -5.659  13.453  13.453
  350    HA   ASP  11           HA       ASP  11  -7.077  11.260  11.260
  351   1HB   ASP  11          2HB       ASP  11  -8.068  13.411  13.411
  352   2HB   ASP  11          1HB       ASP  11  -7.810  12.766  12.766
  353    H    THR  12           H        THR  12  -5.952  11.830  11.830
  354    HA   THR  12           HA       THR  12  -6.703   9.315   9.315
  355    HB   THR  12           HB       THR  12  -6.134  11.154  11.154
  356    HG1  THR  12           HG1      THR  12  -5.281   9.841   9.841
  357   1HG2  THR  12          2HG2      THR  12  -3.351  10.846  10.846
  358   2HG2  THR  12          1HG2      THR  12  -3.743  11.829  11.829
  359   3HG2  THR  12          3HG2      THR  12  -4.408  12.246  12.246
  360    H    HIS  13           H        HIS  13  -3.853  10.389  10.389
  361    HA   HIS  13           HA       HIS  13  -2.193   8.156   8.156
  362   1HB   HIS  13          2HB       HIS  13  -2.262  10.269  10.269
  363   2HB   HIS  13          1HB       HIS  13  -1.192   8.881   8.881
  364    HD1  HIS  13           HD1      HIS  13  -0.026   8.387   8.387
  365    HD2  HIS  13           HD2      HIS  13  -0.766  12.274  12.274
  366    HE1  HIS  13           HE1      HIS  13   1.469   9.904   9.904
  367    H    GLN  14           H        GLN  14  -4.248   8.917   8.917
  368    HA   GLN  14           HA       GLN  14  -3.849   6.481   6.481
  369   1HB   GLN  14          2HB       GLN  14  -5.006   8.740   8.740
  370   2HB   GLN  14          1HB       GLN  14  -6.467   7.908   7.908
  371   1HG   GLN  14          2HG       GLN  14  -6.289   6.252   6.252
  372   2HG   GLN  14          1HG       GLN  14  -4.542   6.440   6.440
  373   1HE2  GLN  14          2HE2      GLN  14  -6.859   8.359   8.359
  374   2HE2  GLN  14          1HE2      GLN  14  -7.373   7.050   7.050
  375    H    GLN  15           H        GLN  15  -6.104   7.448   7.448
  376    HA   GLN  15           HA       GLN  15  -7.895   5.280   5.280
  377   1HB   GLN  15          2HB       GLN  15  -7.921   7.484   7.484
  378   2HB   GLN  15          1HB       GLN  15  -7.151   6.442   6.442
  379   1HG   GLN  15          2HG       GLN  15  -8.998   4.996   4.996
  380   2HG   GLN  15          1HG       GLN  15  -9.632   5.528   5.528
  381   1HE2  GLN  15          2HE2      GLN  15 -11.102   7.259   7.259
  382   2HE2  GLN  15          1HE2      GLN  15 -10.390   5.718   5.718
  383    H    ASP  16           H        ASP  16  -5.063   5.731   5.731
  384    HA   ASP  16           HA       ASP  16  -5.133   3.158   3.158
  385   1HB   ASP  16          2HB       ASP  16  -3.712   5.315   5.315
  386   2HB   ASP  16          1HB       ASP  16  -2.512   4.529   4.529
  387    H    ILE  17           H        ILE  17  -3.519   4.427   4.427
  388    HA   ILE  17           HA       ILE  17  -1.993   2.138   2.138
  389    HB   ILE  17           HB       ILE  17  -3.018   4.503   4.503
  390   1HG1  ILE  17          2HG1      ILE  17  -0.186   3.525   3.525
  391   2HG1  ILE  17          1HG1      ILE  17  -0.913   4.322   4.322
  392   1HG2  ILE  17          2HG2      ILE  17  -2.000   1.932   1.932
  393   2HG2  ILE  17          1HG2      ILE  17  -1.399   3.431   3.431
  394   3HG2  ILE  17          3HG2      ILE  17  -3.131   3.097   3.097
  395   1HD1  ILE  17          2HD1      ILE  17  -1.000   5.528   5.528
  396   2HD1  ILE  17          1HD1      ILE  17   0.322   5.843   5.843
  397   3HD1  ILE  17          3HD1      ILE  17  -1.322   6.324   6.324
  398    H    ASP  18           H        ASP  18  -4.804   3.266   3.266
  399    HA   ASP  18           HA       ASP  18  -5.384   1.023   1.023
  400   1HB   ASP  18          2HB       ASP  18  -6.985   3.312   3.312
  401   2HB   ASP  18          1HB       ASP  18  -7.914   1.902   1.902
  402    H    ASP  19           H        ASP  19  -6.081   1.577   1.577
  403    HA   ASP  19           HA       ASP  19  -7.888  -0.642  -0.642
  404   1HB   ASP  19          2HB       ASP  19  -7.688   1.407   1.407
  405   2HB   ASP  19          1HB       ASP  19  -6.271   0.606   0.606
  406    H    LEU  20           H        LEU  20  -4.440  -0.086  -0.086
  407    HA   LEU  20           HA       LEU  20  -3.855  -2.606  -2.606
  408   1HB   LEU  20          2HB       LEU  20  -2.149  -0.610  -0.610
  409   2HB   LEU  20          1HB       LEU  20  -1.497  -2.095  -2.095
  410    HG   LEU  20           HG       LEU  20  -3.154  -0.237  -0.237
  411   1HD1  LEU  20          1HD1      LEU  20  -0.214  -0.001  -0.001
  412   2HD1  LEU  20          3HD1      LEU  20  -0.924   0.735   0.735
  413   3HD1  LEU  20          2HD1      LEU  20  -1.462   1.235   1.235
  414   1HD2  LEU  20          1HD2      LEU  20  -2.382  -2.645  -2.645
  415   2HD2  LEU  20          3HD2      LEU  20  -2.116  -1.361  -1.361
  416   3HD2  LEU  20          2HD2      LEU  20  -0.782  -1.926  -1.926
  417    H    LYS  21           H        LYS  21  -3.677  -1.399  -1.399
  418    HA   LYS  21           HA       LYS  21  -2.648  -3.704  -3.704
  419   1HB   LYS  21          2HB       LYS  21  -2.986  -1.405  -1.405
  420   2HB   LYS  21          1HB       LYS  21  -4.670  -1.870  -1.870
  421   1HG   LYS  21          2HG       LYS  21  -3.531  -2.441  -2.441
  422   2HG   LYS  21          1HG       LYS  21  -3.799  -3.958  -3.958
  423   1HD   LYS  21          2HD       LYS  21  -1.566  -4.221  -4.221
  424   2HD   LYS  21          1HD       LYS  21  -1.262  -2.484  -2.484
  425   1HE   LYS  21          2HE       LYS  21  -0.174  -3.231  -3.231
  426   2HE   LYS  21          1HE       LYS  21  -1.692  -2.543  -2.543
  427   1HZ   LYS  21          1HZ       LYS  21  -2.575  -4.915  -4.915
  428   2HZ   LYS  21          3HZ       LYS  21  -0.945  -5.382  -5.382
  429   3HZ   LYS  21          2HZ       LYS  21  -1.575  -4.579  -4.579
  430    H    ARG  22           H        ARG  22  -5.941  -2.829  -2.829
  431    HA   ARG  22           HA       ARG  22  -7.241  -4.962  -4.962
  432   1HB   ARG  22          2HB       ARG  22  -8.285  -2.825  -2.825
  433   2HB   ARG  22          1HB       ARG  22  -8.276  -3.719  -3.719
  434   1HG   ARG  22          2HG       ARG  22 -10.335  -4.392  -4.392
  435   2HG   ARG  22          1HG       ARG  22  -9.352  -5.607  -5.607
  436   1HD   ARG  22          2HD       ARG  22 -10.441  -3.037  -3.037
  437   2HD   ARG  22          1HD       ARG  22 -10.838  -4.678  -4.678
  438    HE   ARG  22           HE       ARG  22  -8.724  -4.865  -4.865
  439   1HH1  ARG  22          1HH1      ARG  22  -9.206  -1.686  -1.686
  440   2HH1  ARG  22          2HH1      ARG  22  -7.976  -0.959  -0.959
  441   1HH2  ARG  22          1HH2      ARG  22  -7.131  -3.862  -3.862
  442   2HH2  ARG  22          2HH2      ARG  22  -6.811  -2.171  -2.171
  443    H    GLN  23           H        GLN  23  -5.751  -4.617  -4.617
  444    HA   GLN  23           HA       GLN  23  -6.742  -7.067  -7.067
  445   1HB   GLN  23          2HB       GLN  23  -4.607  -5.108  -5.108
  446   2HB   GLN  23          1HB       GLN  23  -4.589  -6.705  -6.705
  447   1HG   GLN  23          2HG       GLN  23  -7.178  -5.202  -5.202
  448   2HG   GLN  23          1HG       GLN  23  -5.975  -4.728  -4.728
  449   1HE2  GLN  23          2HE2      GLN  23  -6.111  -7.989  -7.989
  450   2HE2  GLN  23          1HE2      GLN  23  -4.953  -6.860  -6.860
  451    H    ASN  24           H        ASN  24  -3.511  -6.147  -6.147
  452    HA   ASN  24           HA       ASN  24  -2.408  -8.741  -8.741
  453   1HB   ASN  24          2HB       ASN  24  -1.710  -6.201  -6.201
  454   2HB   ASN  24          1HB       ASN  24  -0.920  -7.691  -7.691
  455   1HD2  ASN  24          2HD2      ASN  24   1.214  -6.310  -6.310
  456   2HD2  ASN  24          1HD2      ASN  24   0.796  -5.896  -5.896
  457    H    ALA  25           H        ALA  25  -4.346  -7.079  -7.079
  458    HA   ALA  25           HA       ALA  25  -3.896  -8.783  -8.783
  459   1HB   ALA  25          2HB       ALA  25  -6.301  -7.121  -7.121
  460   2HB   ALA  25          1HB       ALA  25  -6.166  -7.984  -7.984
  461   3HB   ALA  25          3HB       ALA  25  -5.025  -6.699  -6.699
  462    H    LEU  26           H        LEU  26  -6.548  -8.797  -8.797
  463    HA   LEU  26           HA       LEU  26  -7.655 -11.261 -11.261
  464   1HB   LEU  26          2HB       LEU  26  -8.099  -9.458  -9.458
  465   2HB   LEU  26          1HB       LEU  26  -8.669 -11.122 -11.122
  466    HG   LEU  26           HG       LEU  26  -9.756 -10.767 -10.767
  467   1HD1  LEU  26          3HD1      LEU  26  -8.470  -8.722  -8.722
  468   2HD1  LEU  26          2HD1      LEU  26  -9.260  -7.873  -7.873
  469   3HD1  LEU  26          1HD1      LEU  26 -10.209  -8.431  -8.431
  470   1HD2  LEU  26          1HD2      LEU  26 -10.691  -9.145  -9.145
  471   2HD2  LEU  26          3HD2      LEU  26 -11.067 -10.838 -10.838
  472   3HD2  LEU  26          2HD2      LEU  26 -11.702  -9.579  -9.579
  473    H    LEU  27           H        LEU  27  -5.283 -10.374 -10.374
  474    HA   LEU  27           HA       LEU  27  -5.180 -12.878 -12.878
  475   1HB   LEU  27          2HB       LEU  27  -3.243 -10.581 -10.581
  476   2HB   LEU  27          1HB       LEU  27  -2.841 -12.044 -12.044
  477    HG   LEU  27           HG       LEU  27  -5.406 -10.542 -10.542
  478   1HD1  LEU  27          2HD1      LEU  27  -2.625 -10.007 -10.007
  479   2HD1  LEU  27          1HD1      LEU  27  -4.038  -9.640  -9.640
  480   3HD1  LEU  27          3HD1      LEU  27  -3.828  -8.852  -8.852
  481   1HD2  LEU  27          2HD2      LEU  27  -4.687 -12.986 -12.986
  482   2HD2  LEU  27          1HD2      LEU  27  -5.577 -11.895 -11.895
  483   3HD2  LEU  27          3HD2      LEU  27  -3.828 -12.061 -12.061
  484    H    GLU  28           H        GLU  28  -3.216 -11.462 -11.462
  485    HA   GLU  28           HA       GLU  28  -1.524 -13.722 -13.722
  486   1HB   GLU  28          2HB       GLU  28  -1.001 -11.417 -11.417
  487   2HB   GLU  28          1HB       GLU  28  -2.237 -11.631 -11.631
  488   1HG   GLU  28          2HG       GLU  28  -0.458 -12.402 -12.402
  489   2HG   GLU  28          1HG       GLU  28  -0.835 -13.907 -13.907
  490    H    GLN  29           H        GLN  29  -4.445 -12.618 -12.618
  491    HA   GLN  29           HA       GLN  29  -4.568 -14.650 -14.650
  492   1HB   GLN  29          2HB       GLN  29  -5.977 -12.513 -12.513
  493   2HB   GLN  29          1HB       GLN  29  -7.009 -13.417 -13.417
  494   1HG   GLN  29          2HG       GLN  29  -7.354 -15.150 -15.150
  495   2HG   GLN  29          1HG       GLN  29  -6.298 -14.276 -14.276
  496   1HE2  GLN  29          2HE2      GLN  29  -8.848 -12.107 -12.107
  497   2HE2  GLN  29          1HE2      GLN  29  -7.279 -12.707 -12.707
  498    H    GLN  30           H        GLN  30  -5.250 -14.732 -14.732
  499    HA   GLN  30           HA       GLN  30  -6.692 -17.281 -17.281
  500   1HB   GLN  30          2HB       GLN  30  -7.378 -15.279 -15.279
  501   2HB   GLN  30          1HB       GLN  30  -6.152 -15.959 -15.959
  502   1HG   GLN  30          2HG       GLN  30  -7.305 -17.978 -17.978
  503   2HG   GLN  30          1HG       GLN  30  -8.220 -17.758 -17.758
  504   1HE2  GLN  30          2HE2      GLN  30 -10.926 -16.561 -16.561
  505   2HE2  GLN  30          1HE2      GLN  30 -10.374 -17.625 -17.625
  506    H    VAL  31           H        VAL  31  -3.866 -15.872 -15.872
  507    HA   VAL  31           HA       VAL  31  -2.962 -18.130 -18.130
  508    HB   VAL  31           HB       VAL  31  -2.160 -15.684 -15.684
  509   1HG1  VAL  31          1HG1      VAL  31  -1.438 -15.872 -15.872
  510   2HG1  VAL  31          3HG1      VAL  31   0.034 -16.551 -16.551
  511   3HG1  VAL  31          2HG1      VAL  31  -0.481 -14.923 -14.923
  512   1HG2  VAL  31          1HG2      VAL  31  -0.436 -18.131 -18.131
  513   2HG2  VAL  31          3HG2      VAL  31  -1.198 -17.228 -17.228
  514   3HG2  VAL  31          2HG2      VAL  31   0.189 -16.547 -16.547
  515    H    ARG  32           H        ARG  32  -2.599 -17.214 -17.214
  516    HA   ARG  32           HA       ARG  32  -0.565 -19.023 -19.023
  517   1HB   ARG  32          2HB       ARG  32  -1.487 -18.803 -18.803
  518   2HB   ARG  32          1HB       ARG  32  -1.237 -17.248 -17.248
  519   1HG   ARG  32          2HG       ARG  32  -3.590 -17.063 -17.063
  520   2HG   ARG  32          1HG       ARG  32  -3.892 -18.708 -18.708
  521   1HD   ARG  32          2HD       ARG  32  -2.956 -17.905 -17.905
  522   2HD   ARG  32          1HD       ARG  32  -3.180 -16.278 -16.278
  523    HE   ARG  32           HE       ARG  32  -5.563 -17.808 -17.808
  524   1HH1  ARG  32          1HH1      ARG  32  -3.646 -16.152 -16.152
  525   2HH1  ARG  32          2HH1      ARG  32  -5.003 -15.838 -15.838
  526   1HH2  ARG  32          1HH2      ARG  32  -7.305 -17.378 -17.378
  527   2HH2  ARG  32          2HH2      ARG  32  -7.058 -16.525 -16.525
  528    H    ALA  33           H        ALA  33  -4.011 -19.432 -19.432
  529    HA   ALA  33           HA       ALA  33  -4.219 -21.988 -21.988
  530   1HB   ALA  33          2HB       ALA  33  -6.190 -20.558 -20.558
  531   2HB   ALA  33          1HB       ALA  33  -5.974 -20.757 -20.757
  532   3HB   ALA  33          3HB       ALA  33  -6.385 -22.149 -22.149
  533    H    LEU  34           H        LEU  34  -3.534 -20.878 -20.878
  534    HA   LEU  34           HA       LEU  34  -3.509 -23.584 -23.584
  535   1HB   LEU  34          2HB       LEU  34  -3.217 -20.835 -20.835
  536   2HB   LEU  34          1HB       LEU  34  -2.462 -22.161 -22.161
  537    HG   LEU  34           HG       LEU  34  -4.772 -23.353 -23.353
  538   1HD1  LEU  34          1HD1      LEU  34  -5.509 -20.422 -20.422
  539   2HD1  LEU  34          3HD1      LEU  34  -6.654 -21.744 -21.744
  540   3HD1  LEU  34          2HD1      LEU  34  -5.690 -21.653 -21.653
  541   1HD2  LEU  34          3HD2      LEU  34  -3.704 -22.441 -22.441
  542   2HD2  LEU  34          2HD2      LEU  34  -5.463 -22.568 -22.568
  543   3HD2  LEU  34          1HD2      LEU  34  -4.692 -21.000 -21.000
  544   1HN   NH2  35          1HT       LEU  34  -1.610 -24.761 -24.761
  545   2HN   NH2  35          2HT       LEU  34  -0.052 -24.251 -24.251

  Start of MODEL   22
    1   1H    ACE   2          1HA       ACE   2   1.298  25.406  25.406
    2   2H    ACE   2          2HA       ACE   2   2.450  26.023  26.023
    3   3H    ACE   2          3HA       ACE   2   1.238  27.100  27.100
    4    H    CYS   3           H        CYS   3   1.118  23.837  23.837
    5    HA   CYS   3           HA       CYS   3  -0.967  24.830  24.830
    6   1HB   CYS   3          2HB       CYS   3  -0.764  22.213  22.213
    7   2HB   CYS   3          1HB       CYS   3  -1.755  22.386  22.386
    8    H    GLY   4           H        GLY   4   1.891  24.785  24.785
    9   1HA   GLY   4          2HA       GLY   4   3.066  24.437  24.437
   10   2HA   GLY   4          1HA       GLY   4   1.899  23.194  23.194
   11    H    GLY   5           H        GLY   5   3.337  21.573  21.573
   12   1HA   GLY   5          2HA       GLY   5   5.445  20.849  20.849
   13   2HA   GLY   5          1HA       GLY   5   5.056  20.033  20.033
   14    H    VAL   6           H        VAL   6   3.777  20.565  20.565
   15    HA   VAL   6           HA       VAL   6   2.050  18.267  18.267
   16    HB   VAL   6           HB       VAL   6   3.006  19.772  19.772
   17   1HG1  VAL   6          2HG1      VAL   6   0.681  17.930  17.930
   18   2HG1  VAL   6          1HG1      VAL   6   0.710  18.990  18.990
   19   3HG1  VAL   6          3HG1      VAL   6   1.930  17.729  17.729
   20   1HG2  VAL   6          3HG2      VAL   6   2.018  21.311  21.311
   21   2HG2  VAL   6          2HG2      VAL   6   0.955  21.120  21.120
   22   3HG2  VAL   6          1HG2      VAL   6   0.595  20.273  20.273
   23    H    GLN   7           H        GLN   7   5.153  19.019  19.019
   24    HA   GLN   7           HA       GLN   7   5.522  16.535  16.535
   25   1HB   GLN   7          2HB       GLN   7   7.936  17.144  17.144
   26   2HB   GLN   7          1HB       GLN   7   6.893  18.451  18.451
   27   1HG   GLN   7          2HG       GLN   7   7.046  19.575  19.575
   28   2HG   GLN   7          1HG       GLN   7   7.914  18.210  18.210
   29   1HE2  GLN   7          2HE2      GLN   7   9.937  20.483  20.483
   30   2HE2  GLN   7          1HE2      GLN   7   8.266  20.252  20.252
   31    H    ALA   8           H        ALA   8   6.109  17.596  17.596
   32    HA   ALA   8           HA       ALA   8   7.754  15.414  15.414
   33   1HB   ALA   8          2HB       ALA   8   7.567  17.549  17.549
   34   2HB   ALA   8          1HB       ALA   8   5.922  17.101  17.101
   35   3HB   ALA   8          3HB       ALA   8   7.285  16.127  16.127
   36    H    GLU   9           H        GLU   9   4.276  16.073  16.073
   37    HA   GLU   9           HA       GLU   9   3.693  13.548  13.548
   38   1HB   GLU   9          2HB       GLU   9   2.081  15.796  15.796
   39   2HB   GLU   9          1HB       GLU   9   1.292  14.237  14.237
   40   1HG   GLU   9          2HG       GLU   9   1.783  14.245  14.245
   41   2HG   GLU   9          1HG       GLU   9   2.921  15.582  15.582
   42    H    GLU  10           H        GLU  10   3.784  14.756  14.756
   43    HA   GLU  10           HA       GLU  10   2.456  12.507  12.507
   44   1HB   GLU  10          2HB       GLU  10   2.860  14.895  14.895
   45   2HB   GLU  10          1HB       GLU  10   4.411  14.230  14.230
   46   1HG   GLU  10          2HG       GLU  10   3.150  12.323  12.323
   47   2HG   GLU  10          1HG       GLU  10   1.658  13.194  13.194
   48    H    GLN  11           H        GLN  11   5.819  13.410  13.410
   49    HA   GLN  11           HA       GLN  11   7.049  11.328  11.328
   50   1HB   GLN  11          2HB       GLN  11   7.877  13.159  13.159
   51   2HB   GLN  11          1HB       GLN  11   8.859  11.719  11.719
   52   1HG   GLN  11          2HG       GLN  11   8.706  12.442  12.442
   53   2HG   GLN  11          1HG       GLN  11   8.335  14.028  14.028
   54   1HE2  GLN  11          2HE2      GLN  11  12.019  12.415  12.415
   55   2HE2  GLN  11          1HE2      GLN  11  10.692  11.373  11.373
   56    H    LYS  12           H        LYS  12   5.640  11.461  11.461
   57    HA   LYS  12           HA       LYS  12   6.692   8.907   8.907
   58   1HB   LYS  12          2HB       LYS  12   5.771  10.980  10.980
   59   2HB   LYS  12          1HB       LYS  12   4.272  10.057  10.057
   60   1HG   LYS  12          2HG       LYS  12   5.166   8.209   8.209
   61   2HG   LYS  12          1HG       LYS  12   6.830   8.689   8.689
   62   1HD   LYS  12          2HD       LYS  12   6.694  10.526  10.526
   63   2HD   LYS  12          1HD       LYS  12   4.960  10.283  10.283
   64   1HE   LYS  12          2HE       LYS  12   6.862   8.035   8.035
   65   2HE   LYS  12          1HE       LYS  12   6.617   9.314   9.314
   66   1HZ   LYS  12          3HZ       LYS  12   4.134   8.860   8.860
   67   2HZ   LYS  12          2HZ       LYS  12   4.678   7.368   7.368
   68   3HZ   LYS  12          1HZ       LYS  12   4.995   7.801   7.801
   69    H    LEU  13           H        LEU  13   3.761  10.108  10.108
   70    HA   LEU  13           HA       LEU  13   2.255   7.687   7.687
   71   1HB   LEU  13          2HB       LEU  13   1.915  10.137  10.137
   72   2HB   LEU  13          1HB       LEU  13   0.831   8.751   8.751
   73    HG   LEU  13           HG       LEU  13   1.420   9.993   9.993
   74   1HD1  LEU  13          3HD1      LEU  13   0.640  11.800  11.800
   75   2HD1  LEU  13          2HD1      LEU  13  -0.772  10.826  10.826
   76   3HD1  LEU  13          1HD1      LEU  13  -0.557  11.419  11.419
   77   1HD2  LEU  13          1HD2      LEU  13   0.164   7.721   7.721
   78   2HD2  LEU  13          3HD2      LEU  13  -0.440   8.791   8.791
   79   3HD2  LEU  13          2HD2      LEU  13  -1.186   8.806   8.806
   80    H    ILE  14           H        ILE  14   4.068   9.160   9.160
   81    HA   ILE  14           HA       ILE  14   3.564   7.132   7.132
   82    HB   ILE  14           HB       ILE  14   5.984   8.947   8.947
   83   1HG1  ILE  14          2HG1      ILE  14   3.577   9.394   9.394
   84   2HG1  ILE  14          1HG1      ILE  14   3.561   9.937   9.937
   85   1HG2  ILE  14          2HG2      ILE  14   4.920   7.091   7.091
   86   2HG2  ILE  14          1HG2      ILE  14   5.707   8.583   8.583
   87   3HG2  ILE  14          3HG2      ILE  14   6.590   7.410   7.410
   88   1HD1  ILE  14          2HD1      ILE  14   5.922  10.614  10.614
   89   2HD1  ILE  14          1HD1      ILE  14   4.436  11.547  11.547
   90   3HD1  ILE  14          3HD1      ILE  14   5.259  11.489  11.489
   91    H    SER  15           H        SER  15   6.359   7.665   7.665
   92    HA   SER  15           HA       SER  15   7.820   5.389   5.389
   93   1HB   SER  15          2HB       SER  15   7.724   6.868   6.868
   94   2HB   SER  15          1HB       SER  15   8.891   5.605   5.605
   95    HG   SER  15           HG       SER  15   9.730   6.865   6.865
   96    H    GLU  16           H        GLU  16   5.223   5.815   5.815
   97    HA   GLU  16           HA       GLU  16   5.443   3.220   3.220
   98   1HB   GLU  16          2HB       GLU  16   3.360   5.377   5.377
   99   2HB   GLU  16          1HB       GLU  16   2.948   3.772   3.772
  100   1HG   GLU  16          2HG       GLU  16   5.457   5.142   5.142
  101   2HG   GLU  16          1HG       GLU  16   3.901   5.539   5.539
  102    H    GLU  17           H        GLU  17   3.381   4.610   4.610
  103    HA   GLU  17           HA       GLU  17   1.850   2.294   2.294
  104   1HB   GLU  17          2HB       GLU  17   1.349   4.633   4.633
  105   2HB   GLU  17          1HB       GLU  17   2.608   4.396   4.396
  106   1HG   GLU  17          2HG       GLU  17   1.318   2.194   2.194
  107   2HG   GLU  17          1HG       GLU  17  -0.025   2.969   2.969
  108    H    ASP  18           H        ASP  18   4.980   3.391   3.391
  109    HA   ASP  18           HA       ASP  18   5.307   1.551   1.551
  110   1HB   ASP  18          2HB       ASP  18   6.762   3.572   3.572
  111   2HB   ASP  18          1HB       ASP  18   7.526   2.619   2.619
  112    H    LEU  19           H        LEU  19   5.908   1.336   1.336
  113    HA   LEU  19           HA       LEU  19   7.336  -1.102  -1.102
  114   1HB   LEU  19          2HB       LEU  19   5.787   0.458   0.458
  115   2HB   LEU  19          1HB       LEU  19   6.145  -1.229  -1.229
  116    HG   LEU  19           HG       LEU  19   8.351   0.509   0.509
  117   1HD1  LEU  19          2HD1      LEU  19   7.082   0.651   0.651
  118   2HD1  LEU  19          1HD1      LEU  19   8.815   0.922   0.922
  119   3HD1  LEU  19          3HD1      LEU  19   7.668   1.966   1.966
  120   1HD2  LEU  19          1HD2      LEU  19   8.252  -2.094  -2.094
  121   2HD2  LEU  19          3HD2      LEU  19   9.702  -1.121  -1.121
  122   3HD2  LEU  19          2HD2      LEU  19   8.606  -1.424  -1.424
  123    H    LEU  20           H        LEU  20   3.872  -0.415  -0.415
  124    HA   LEU  20           HA       LEU  20   3.058  -3.119  -3.119
  125   1HB   LEU  20          2HB       LEU  20   1.691  -0.521  -0.521
  126   2HB   LEU  20          1HB       LEU  20   0.818  -2.006  -2.006
  127    HG   LEU  20           HG       LEU  20   2.203  -1.740  -1.740
  128   1HD1  LEU  20          2HD1      LEU  20   0.626   0.266   0.266
  129   2HD1  LEU  20          1HD1      LEU  20  -0.668  -0.917  -0.917
  130   3HD1  LEU  20          3HD1      LEU  20   0.418  -0.568  -0.568
  131   1HD2  LEU  20          3HD2      LEU  20   1.092  -3.870  -3.870
  132   2HD2  LEU  20          2HD2      LEU  20   0.701  -3.436  -3.436
  133   3HD2  LEU  20          1HD2      LEU  20  -0.431  -3.061  -3.061
  134    H    ARG  21           H        ARG  21   3.595  -0.991  -0.991
  135    HA   ARG  21           HA       ARG  21   2.301  -2.506  -2.506
  136   1HB   ARG  21          2HB       ARG  21   4.537  -0.500  -0.500
  137   2HB   ARG  21          1HB       ARG  21   4.117  -1.377  -1.377
  138   1HG   ARG  21          2HG       ARG  21   1.888  -0.528  -0.528
  139   2HG   ARG  21          1HG       ARG  21   2.046   0.069   0.069
  140   1HD   ARG  21          2HD       ARG  21   2.227   1.876   1.876
  141   2HD   ARG  21          1HD       ARG  21   3.651   1.744   1.744
  142    HE   ARG  21           HE       ARG  21   4.057   0.147   0.147
  143   1HH1  ARG  21          1HH1      ARG  21   3.732   3.520   3.520
  144   2HH1  ARG  21          2HH1      ARG  21   4.718   4.073   4.073
  145   1HH2  ARG  21          1HH2      ARG  21   5.337   0.911   0.911
  146   2HH2  ARG  21          2HH2      ARG  21   5.620   2.610   2.610
  147    H    LYS  22           H        LYS  22   5.606  -2.598  -2.598
  148    HA   LYS  22           HA       LYS  22   6.642  -4.508  -4.508
  149   1HB   LYS  22          2HB       LYS  22   7.951  -3.062  -3.062
  150   2HB   LYS  22          1HB       LYS  22   7.493  -4.229  -4.229
  151   1HG   LYS  22          2HG       LYS  22   8.388  -5.978  -5.978
  152   2HG   LYS  22          1HG       LYS  22   9.300  -4.585  -4.585
  153   1HD   LYS  22          2HD       LYS  22   9.278  -5.200  -5.200
  154   2HD   LYS  22          1HD       LYS  22  10.332  -6.126  -6.126
  155   1HE   LYS  22          2HE       LYS  22  11.770  -4.393  -4.393
  156   2HE   LYS  22          1HE       LYS  22  10.891  -3.651  -3.651
  157   1HZ   LYS  22          1HZ       LYS  22   9.360  -2.695  -2.695
  158   2HZ   LYS  22          3HZ       LYS  22  10.363  -3.295  -3.295
  159   3HZ   LYS  22          2HZ       LYS  22  10.953  -2.125  -2.125
  160    H    ARG  23           H        ARG  23   4.884  -4.806  -4.806
  161    HA   ARG  23           HA       ARG  23   5.229  -7.626  -7.626
  162   1HB   ARG  23          2HB       ARG  23   4.547  -6.043  -6.043
  163   2HB   ARG  23          1HB       ARG  23   2.954  -5.960  -5.960
  164   1HG   ARG  23          2HG       ARG  23   2.861  -7.660  -7.660
  165   2HG   ARG  23          1HG       ARG  23   2.844  -8.478  -8.478
  166   1HD   ARG  23          2HD       ARG  23   5.090  -9.157  -9.157
  167   2HD   ARG  23          1HD       ARG  23   5.439  -7.961  -7.961
  168    HE   ARG  23           HE       ARG  23   4.385 -10.597 -10.597
  169   1HH1  ARG  23          1HH1      ARG  23   4.339  -7.318  -7.318
  170   2HH1  ARG  23          2HH1      ARG  23   3.944  -7.807  -7.807
  171   1HH2  ARG  23          1HH2      ARG  23   3.872 -11.189 -11.189
  172   2HH2  ARG  23          2HH2      ARG  23   3.682  -9.979  -9.979
  173    H    ARG  24           H        ARG  24   2.914  -5.576  -5.576
  174    HA   ARG  24           HA       ARG  24   0.949  -7.568  -7.568
  175   1HB   ARG  24          2HB       ARG  24   0.951  -4.910  -4.910
  176   2HB   ARG  24          1HB       ARG  24   1.355  -5.372  -5.372
  177   1HG   ARG  24          2HG       ARG  24  -0.616  -6.819  -6.819
  178   2HG   ARG  24          1HG       ARG  24  -1.005  -6.450  -6.450
  179   1HD   ARG  24          2HD       ARG  24  -1.313  -4.088  -4.088
  180   2HD   ARG  24          1HD       ARG  24  -0.846  -4.402  -4.402
  181    HE   ARG  24           HE       ARG  24  -3.051  -6.048  -6.048
  182   1HH1  ARG  24          1HH1      ARG  24  -2.211  -2.766  -2.766
  183   2HH1  ARG  24          2HH1      ARG  24  -3.785  -2.412  -2.412
  184   1HH2  ARG  24          1HH2      ARG  24  -5.089  -5.543  -5.543
  185   2HH2  ARG  24          2HH2      ARG  24  -5.402  -3.968  -3.968
  186    H    GLU  25           H        GLU  25   3.660  -6.303  -6.303
  187    HA   GLU  25           HA       GLU  25   3.243  -7.906  -7.906
  188   1HB   GLU  25          2HB       GLU  25   4.781  -5.900  -5.900
  189   2HB   GLU  25          1HB       GLU  25   5.930  -6.952  -6.952
  190   1HG   GLU  25          2HG       GLU  25   5.758  -8.521  -8.521
  191   2HG   GLU  25          1HG       GLU  25   4.865  -7.244  -7.244
  192    H    GLN  26           H        GLN  26   5.161  -8.418  -8.418
  193    HA   GLN  26           HA       GLN  26   6.354 -10.863 -10.863
  194   1HB   GLN  26          2HB       GLN  26   6.769  -9.252  -9.252
  195   2HB   GLN  26          1HB       GLN  26   5.697 -10.414 -10.414
  196   1HG   GLN  26          2HG       GLN  26   7.934 -11.467 -11.467
  197   2HG   GLN  26          1HG       GLN  26   8.320 -10.830 -10.830
  198   1HE2  GLN  26          2HE2      GLN  26   7.004 -14.526 -14.526
  199   2HE2  GLN  26          1HE2      GLN  26   7.848 -13.711 -13.711
  200    H    LEU  27           H        LEU  27   3.393 -10.121 -10.121
  201    HA   LEU  27           HA       LEU  27   2.652 -12.790 -12.790
  202   1HB   LEU  27          2HB       LEU  27   1.114 -10.210 -10.210
  203   2HB   LEU  27          1HB       LEU  27   0.286 -11.742 -11.742
  204    HG   LEU  27           HG       LEU  27   2.594 -10.721 -10.721
  205   1HD1  LEU  27          2HD1      LEU  27   0.575  -9.288  -9.288
  206   2HD1  LEU  27          1HD1      LEU  27  -0.382 -10.719 -10.719
  207   3HD1  LEU  27          3HD1      LEU  27   0.893 -10.194 -10.194
  208   1HD2  LEU  27          3HD2      LEU  27   0.742 -13.101 -13.101
  209   2HD2  LEU  27          2HD2      LEU  27   2.503 -13.072 -13.072
  210   3HD2  LEU  27          1HD2      LEU  27   1.531 -12.497 -12.497
  211    H    LYS  28           H        LYS  28   2.081 -10.685 -10.685
  212    HA   LYS  28           HA       LYS  28   0.173 -12.298 -12.298
  213   1HB   LYS  28          2HB       LYS  28   1.106  -9.841  -9.841
  214   2HB   LYS  28          1HB       LYS  28   2.126 -10.732 -10.732
  215   1HG   LYS  28          2HG       LYS  28   0.084 -11.798 -11.798
  216   2HG   LYS  28          1HG       LYS  28  -0.903 -10.804 -10.804
  217   1HD   LYS  28          2HD       LYS  28  -0.881  -9.553  -9.553
  218   2HD   LYS  28          1HD       LYS  28   0.407  -8.804  -8.804
  219   1HE   LYS  28          2HE       LYS  28   2.096  -9.773  -9.773
  220   2HE   LYS  28          1HE       LYS  28   1.068 -11.103 -11.103
  221   1HZ   LYS  28          3HZ       LYS  28  -0.259  -9.366  -9.366
  222   2HZ   LYS  28          2HZ       LYS  28   1.012  -8.283  -8.283
  223   3HZ   LYS  28          1HZ       LYS  28   1.291  -9.676  -9.676
  224    H    HIS  29           H        HIS  29   3.701 -12.252 -12.252
  225    HA   HIS  29           HA       HIS  29   4.103 -14.067 -14.067
  226   1HB   HIS  29          2HB       HIS  29   5.787 -13.338 -13.338
  227   2HB   HIS  29          1HB       HIS  29   6.327 -14.496 -14.496
  228    HD1  HIS  29           HD1      HIS  29   5.963 -13.444 -13.444
  229    HD2  HIS  29           HD2      HIS  29   6.562 -10.782 -10.782
  230    HE1  HIS  29           HE1      HIS  29   6.723 -11.263 -11.263
  231    H    LYS  30           H        LYS  30   3.431 -14.508 -14.508
  232    HA   LYS  30           HA       LYS  30   3.994 -17.320 -17.320
  233   1HB   LYS  30          2HB       LYS  30   3.861 -15.683 -15.683
  234   2HB   LYS  30          1HB       LYS  30   2.116 -15.923 -15.923
  235   1HG   LYS  30          2HG       LYS  30   2.237 -18.119 -18.119
  236   2HG   LYS  30          1HG       LYS  30   3.827 -18.364 -18.364
  237   1HD   LYS  30          2HD       LYS  30   4.305 -18.366 -18.366
  238   2HD   LYS  30          1HD       LYS  30   4.655 -16.702 -16.702
  239   1HE   LYS  30          2HE       LYS  30   2.549 -15.926 -15.926
  240   2HE   LYS  30          1HE       LYS  30   1.958 -17.574 -17.574
  241   1HZ   LYS  30          2HZ       LYS  30   4.371 -16.599 -16.599
  242   2HZ   LYS  30          1HZ       LYS  30   2.815 -16.377 -16.377
  243   3HZ   LYS  30          3HZ       LYS  30   3.402 -17.944 -17.944
  244    H    LEU  31           H        LEU  31   1.105 -15.345 -15.345
  245    HA   LEU  31           HA       LEU  31  -0.773 -17.475 -17.475
  246   1HB   LEU  31          2HB       LEU  31  -0.798 -14.655 -14.655
  247   2HB   LEU  31          1HB       LEU  31  -2.111 -15.750 -15.750
  248    HG   LEU  31           HG       LEU  31  -1.217 -15.460 -15.460
  249   1HD1  LEU  31          2HD1      LEU  31  -3.229 -13.751 -13.751
  250   2HD1  LEU  31          1HD1      LEU  31  -3.050 -13.783 -13.783
  251   3HD1  LEU  31          3HD1      LEU  31  -1.730 -13.195 -13.195
  252   1HD2  LEU  31          2HD2      LEU  31  -2.797 -17.299 -17.299
  253   2HD2  LEU  31          1HD2      LEU  31  -3.300 -16.441 -16.441
  254   3HD2  LEU  31          3HD2      LEU  31  -3.985 -15.998 -15.998
  255    H    GLU  32           H        GLU  32   1.129 -15.940 -15.940
  256    HA   GLU  32           HA       GLU  32  -0.093 -17.262 -17.262
  257   1HB   GLU  32          2HB       GLU  32   1.470 -15.221 -15.221
  258   2HB   GLU  32          1HB       GLU  32   2.790 -16.386 -16.386
  259   1HG   GLU  32          2HG       GLU  32   0.634 -16.785 -16.785
  260   2HG   GLU  32          1HG       GLU  32   1.921 -15.621 -15.621
  261    H    GLN  33           H        GLN  33   3.041 -17.875 -17.875
  262    HA   GLN  33           HA       GLN  33   3.497 -20.348 -20.348
  263   1HB   GLN  33          2HB       GLN  33   4.669 -19.070 -19.070
  264   2HB   GLN  33          1HB       GLN  33   5.141 -20.692 -20.692
  265   1HG   GLN  33          2HG       GLN  33   5.937 -19.887 -19.887
  266   2HG   GLN  33          1HG       GLN  33   5.230 -18.293 -18.293
  267   1HE2  GLN  33          2HE2      GLN  33   8.209 -17.152 -17.152
  268   2HE2  GLN  33          1HE2      GLN  33   6.860 -16.827 -16.827
  269    H    LEU  34           H        LEU  34   2.731 -19.735 -19.735
  270    HA   LEU  34           HA       LEU  34   1.403 -22.380 -22.380
  271   1HB   LEU  34          2HB       LEU  34   2.966 -20.876 -20.876
  272   2HB   LEU  34          1HB       LEU  34   1.832 -22.155 -22.155
  273    HG   LEU  34           HG       LEU  34   3.152 -23.459 -23.459
  274   1HD1  LEU  34          2HD1      LEU  34   4.566 -21.344 -21.344
  275   2HD1  LEU  34          1HD1      LEU  34   5.324 -21.731 -21.731
  276   3HD1  LEU  34          3HD1      LEU  34   5.449 -22.859 -22.859
  277   1HD2  LEU  34          3HD2      LEU  34   2.942 -23.718 -23.718
  278   2HD2  LEU  34          2HD2      LEU  34   4.076 -24.688 -24.688
  279   3HD2  LEU  34          1HD2      LEU  34   4.642 -23.255 -23.255
  280   1HN   NH2  35          1HT       LEU  34  -0.695 -21.465 -21.465
  281   2HN   NH2  35          2HT       LEU  34  -1.572 -20.504 -20.504
  282   1H    ACE   2          1HA       ACE   2  -9.145  21.749  21.749
  283   2H    ACE   2          2HA       ACE   2 -10.349  21.837  21.837
  284   3H    ACE   2          3HA       ACE   2 -10.215  23.146  23.146
  285    H    CYS   3           H        CYS   3  -7.314  21.664  21.664
  286    HA   CYS   3           HA       CYS   3  -6.237  24.098  24.098
  287   1HB   CYS   3          2HB       CYS   3  -5.371  21.220  21.220
  288   2HB   CYS   3          1HB       CYS   3  -4.484  22.505  22.505
  289    H    GLY   4           H        GLY   4  -7.066  21.112  21.112
  290   1HA   GLY   4          2HA       GLY   4  -8.418  21.138  21.138
  291   2HA   GLY   4          1HA       GLY   4  -7.863  22.783  22.783
  292    H    GLY   5           H        GLY   5  -6.560  19.489  19.489
  293   1HA   GLY   5          2HA       GLY   5  -5.455  18.664  18.664
  294   2HA   GLY   5          1HA       GLY   5  -4.493  20.134  20.134
  295    H    MET   6           H        MET   6  -3.680  20.362  20.362
  296    HA   MET   6           HA       MET   6  -1.748  18.301  18.301
  297   1HB   MET   6          2HB       MET   6  -2.564  20.705  20.705
  298   2HB   MET   6          1HB       MET   6  -1.458  19.518  19.518
  299   1HG   MET   6          2HG       MET   6   0.070  20.912  20.912
  300   2HG   MET   6          1HG       MET   6  -0.250  19.782  19.782
  301   1HE   MET   6          2HE       MET   6   0.929  22.467  22.467
  302   2HE   MET   6          1HE       MET   6   0.438  23.366  23.366
  303   3HE   MET   6          3HE       MET   6  -0.162  23.839  23.839
  304    H    ARG   7           H        ARG   7  -4.685  19.182  19.182
  305    HA   ARG   7           HA       ARG   7  -4.469  17.127  17.127
  306   1HB   ARG   7          2HB       ARG   7  -6.011  19.282  19.282
  307   2HB   ARG   7          1HB       ARG   7  -7.149  18.143  18.143
  308   1HG   ARG   7          2HG       ARG   7  -6.904  16.651  16.651
  309   2HG   ARG   7          1HG       ARG   7  -5.746  17.768  17.768
  310   1HD   ARG   7          2HD       ARG   7  -7.589  19.543  19.543
  311   2HD   ARG   7          1HD       ARG   7  -8.690  18.208  18.208
  312    HE   ARG   7           HE       ARG   7  -7.132  17.773  17.773
  313   1HH1  ARG   7          1HH1      ARG   7  -9.929  19.450  19.450
  314   2HH1  ARG   7          2HH1      ARG   7 -10.723  19.524  19.524
  315   1HH2  ARG   7          1HH2      ARG   7  -8.202  17.892  17.892
  316   2HH2  ARG   7          2HH2      ARG   7  -9.755  18.651  18.651
  317    H    ARG   8           H        ARG   8  -5.849  17.285  17.285
  318    HA   ARG   8           HA       ARG   8  -7.409  14.936  14.936
  319   1HB   ARG   8          2HB       ARG   8  -6.183  16.603  16.603
  320   2HB   ARG   8          1HB       ARG   8  -6.722  14.979  14.979
  321   1HG   ARG   8          2HG       ARG   8  -8.590  16.614  16.614
  322   2HG   ARG   8          1HG       ARG   8  -8.378  17.101  17.101
  323   1HD   ARG   8          2HD       ARG   8  -9.236  15.109  15.109
  324   2HD   ARG   8          1HD       ARG   8  -8.811  14.203  14.203
  325    HE   ARG   8           HE       ARG   8 -10.830  16.215  16.215
  326   1HH1  ARG   8          1HH1      ARG   8 -10.239  12.932  12.932
  327   2HH1  ARG   8          2HH1      ARG   8 -11.833  12.394  12.394
  328   1HH2  ARG   8          1HH2      ARG   8 -12.899  15.473  15.473
  329   2HH2  ARG   8          2HH2      ARG   8 -13.328  13.820  13.820
  330    H    LYS   9           H        LYS   9  -4.007  15.496  15.496
  331    HA   LYS   9           HA       LYS   9  -3.403  12.858  12.858
  332   1HB   LYS   9          2HB       LYS   9  -1.661  15.037  15.037
  333   2HB   LYS   9          1HB       LYS   9  -1.029  13.505  13.505
  334   1HG   LYS   9          2HG       LYS   9  -2.295  14.032  14.032
  335   2HG   LYS   9          1HG       LYS   9  -2.463  15.670  15.670
  336   1HD   LYS   9          2HD       LYS   9  -0.025  15.867  15.867
  337   2HD   LYS   9          1HD       LYS   9   0.169  14.209  14.209
  338   1HE   LYS   9          2HE       LYS   9  -0.718  14.774  14.774
  339   2HE   LYS   9          1HE       LYS   9  -1.216  16.370  16.370
  340   1HZ   LYS   9          3HZ       LYS   9   1.593  15.413  15.413
  341   2HZ   LYS   9          2HZ       LYS   9   0.866  16.412  16.412
  342   3HZ   LYS   9          1HZ       LYS   9   1.075  16.972  16.972
  343    H    ASN  10           H        ASN  10  -2.989  14.490  14.490
  344    HA   ASN  10           HA       ASN  10  -1.927  12.286  12.286
  345   1HB   ASN  10          2HB       ASN  10  -3.426  14.744  14.744
  346   2HB   ASN  10          1HB       ASN  10  -2.923  13.511  13.511
  347   1HD2  ASN  10          2HD2      ASN  10  -0.237  16.204  16.204
  348   2HD2  ASN  10          1HD2      ASN  10  -1.920  16.405  16.405
  349    H    ASP  11           H        ASP  11  -5.260  13.377  13.377
  350    HA   ASP  11           HA       ASP  11  -6.520  11.506  11.506
  351   1HB   ASP  11          2HB       ASP  11  -7.453  13.600  13.600
  352   2HB   ASP  11          1HB       ASP  11  -7.879  12.347  12.347
  353    H    THR  12           H        THR  12  -5.858  11.417  11.417
  354    HA   THR  12           HA       THR  12  -6.954   8.852   8.852
  355    HB   THR  12           HB       THR  12  -4.647  10.054  10.054
  356    HG1  THR  12           HG1      THR  12  -7.425  10.592  10.592
  357   1HG2  THR  12          1HG2      THR  12  -5.807   7.656   7.656
  358   2HG2  THR  12          3HG2      THR  12  -6.953   8.633   8.633
  359   3HG2  THR  12          2HG2      THR  12  -5.248   8.617   8.617
  360    H    HIS  13           H        HIS  13  -3.822   9.943   9.943
  361    HA   HIS  13           HA       HIS  13  -2.356   7.566   7.566
  362   1HB   HIS  13          2HB       HIS  13  -2.092   9.968   9.968
  363   2HB   HIS  13          1HB       HIS  13  -1.144   8.540   8.540
  364    HD1  HIS  13           HD1      HIS  13   0.120   7.465   7.465
  365    HD2  HIS  13           HD2      HIS  13  -0.772  11.538  11.538
  366    HE1  HIS  13           HE1      HIS  13   1.601   8.535   8.535
  367    H    GLN  14           H        GLN  14  -4.196   8.758   8.758
  368    HA   GLN  14           HA       GLN  14  -3.718   6.597   6.597
  369   1HB   GLN  14          2HB       GLN  14  -6.046   8.511   8.511
  370   2HB   GLN  14          1HB       GLN  14  -5.908   7.306   7.306
  371   1HG   GLN  14          2HG       GLN  14  -3.567   9.094   9.094
  372   2HG   GLN  14          1HG       GLN  14  -4.942   9.747   9.747
  373   1HE2  GLN  14          2HE2      GLN  14  -2.511   6.998   6.998
  374   2HE2  GLN  14          1HE2      GLN  14  -2.312   7.393   7.393
  375    H    GLN  15           H        GLN  15  -5.982   7.002   7.002
  376    HA   GLN  15           HA       GLN  15  -7.622   4.741   4.741
  377   1HB   GLN  15          2HB       GLN  15  -8.038   6.788   6.788
  378   2HB   GLN  15          1HB       GLN  15  -7.314   5.698   5.698
  379   1HG   GLN  15          2HG       GLN  15  -9.027   4.134   4.134
  380   2HG   GLN  15          1HG       GLN  15  -9.464   4.658   4.658
  381   1HE2  GLN  15          2HE2      GLN  15 -12.000   6.742   6.742
  382   2HE2  GLN  15          1HE2      GLN  15 -11.416   5.756   5.756
  383    H    ASP  16           H        ASP  16  -4.821   5.282   5.282
  384    HA   ASP  16           HA       ASP  16  -4.779   2.753   2.753
  385   1HB   ASP  16          2HB       ASP  16  -3.343   4.963   4.963
  386   2HB   ASP  16          1HB       ASP  16  -2.199   4.100   4.100
  387    H    ILE  17           H        ILE  17  -3.182   3.938   3.938
  388    HA   ILE  17           HA       ILE  17  -1.756   1.605   1.605
  389    HB   ILE  17           HB       ILE  17  -2.763   3.960   3.960
  390   1HG1  ILE  17          2HG1      ILE  17  -0.138   3.771   3.771
  391   2HG1  ILE  17          1HG1      ILE  17  -0.185   2.849   2.849
  392   1HG2  ILE  17          3HG2      ILE  17  -1.818   1.351   1.351
  393   2HG2  ILE  17          2HG2      ILE  17  -1.319   2.853   2.853
  394   3HG2  ILE  17          1HG2      ILE  17  -3.032   2.468   2.468
  395   1HD1  ILE  17          3HD1      ILE  17  -1.439   5.588   5.588
  396   2HD1  ILE  17          2HD1      ILE  17   0.203   5.337   5.337
  397   3HD1  ILE  17          1HD1      ILE  17  -1.170   4.689   4.689
  398    H    ASP  18           H        ASP  18  -4.602   2.707   2.707
  399    HA   ASP  18           HA       ASP  18  -5.233   0.408   0.408
  400   1HB   ASP  18          2HB       ASP  18  -6.822   2.738   2.738
  401   2HB   ASP  18          1HB       ASP  18  -7.731   1.320   1.320
  402    H    ASP  19           H        ASP  19  -5.841   1.122   1.122
  403    HA   ASP  19           HA       ASP  19  -7.657  -1.089  -1.089
  404   1HB   ASP  19          2HB       ASP  19  -7.661   0.990   0.990
  405   2HB   ASP  19          1HB       ASP  19  -6.120   0.466   0.466
  406    H    LEU  20           H        LEU  20  -4.219  -0.454  -0.454
  407    HA   LEU  20           HA       LEU  20  -3.593  -2.829  -2.829
  408   1HB   LEU  20          2HB       LEU  20  -1.966  -0.920  -0.920
  409   2HB   LEU  20          1HB       LEU  20  -1.249  -2.381  -2.381
  410    HG   LEU  20           HG       LEU  20  -2.818  -0.464  -0.464
  411   1HD1  LEU  20          1HD1      LEU  20   0.017  -0.278  -0.278
  412   2HD1  LEU  20          3HD1      LEU  20  -0.380   0.275   0.275
  413   3HD1  LEU  20          2HD1      LEU  20  -1.166   1.009   1.009
  414   1HD2  LEU  20          1HD2      LEU  20  -0.832  -2.695  -2.695
  415   2HD2  LEU  20          3HD2      LEU  20  -2.439  -2.507  -2.507
  416   3HD2  LEU  20          2HD2      LEU  20  -1.112  -1.488  -1.488
  417    H    LYS  21           H        LYS  21  -3.539  -1.998  -1.998
  418    HA   LYS  21           HA       LYS  21  -2.487  -4.440  -4.440
  419   1HB   LYS  21          2HB       LYS  21  -4.162  -2.281  -2.281
  420   2HB   LYS  21          1HB       LYS  21  -3.781  -3.757  -3.757
  421   1HG   LYS  21          2HG       LYS  21  -1.324  -3.283  -3.283
  422   2HG   LYS  21          1HG       LYS  21  -1.902  -1.644  -1.644
  423   1HD   LYS  21          2HD       LYS  21  -2.576  -1.355  -1.355
  424   2HD   LYS  21          1HD       LYS  21  -2.359  -3.069  -3.069
  425   1HE   LYS  21          2HE       LYS  21  -0.044  -1.407  -1.407
  426   2HE   LYS  21          1HE       LYS  21  -0.490  -1.409  -1.409
  427   1HZ   LYS  21          3HZ       LYS  21   0.056  -3.856  -3.856
  428   2HZ   LYS  21          2HZ       LYS  21   1.192  -3.096  -3.096
  429   3HZ   LYS  21          1HZ       LYS  21  -0.220  -3.770  -3.770
  430    H    ARG  22           H        ARG  22  -5.853  -3.328  -3.328
  431    HA   ARG  22           HA       ARG  22  -7.072  -5.691  -5.691
  432   1HB   ARG  22          2HB       ARG  22  -8.110  -3.346  -3.346
  433   2HB   ARG  22          1HB       ARG  22  -8.353  -3.999  -3.999
  434   1HG   ARG  22          2HG       ARG  22  -9.656  -5.843  -5.843
  435   2HG   ARG  22          1HG       ARG  22  -9.271  -5.398  -5.398
  436   1HD   ARG  22          2HD       ARG  22 -11.436  -4.516  -4.516
  437   2HD   ARG  22          1HD       ARG  22 -10.365  -3.132  -3.132
  438    HE   ARG  22           HE       ARG  22 -10.676  -4.202  -4.202
  439   1HH1  ARG  22          1HH1      ARG  22 -12.765  -2.881  -2.881
  440   2HH1  ARG  22          2HH1      ARG  22 -13.932  -2.297  -2.297
  441   1HH2  ARG  22          1HH2      ARG  22 -12.224  -3.422  -3.422
  442   2HH2  ARG  22          2HH2      ARG  22 -13.631  -2.601  -2.601
  443    H    GLN  23           H        GLN  23  -5.908  -4.734  -4.734
  444    HA   GLN  23           HA       GLN  23  -7.070  -6.977  -6.977
  445   1HB   GLN  23          2HB       GLN  23  -6.451  -4.789  -4.789
  446   2HB   GLN  23          1HB       GLN  23  -4.760  -5.256  -5.256
  447   1HG   GLN  23          2HG       GLN  23  -5.483  -5.908  -5.908
  448   2HG   GLN  23          1HG       GLN  23  -5.281  -7.373  -7.373
  449   1HE2  GLN  23          2HE2      GLN  23  -8.616  -8.344  -8.344
  450   2HE2  GLN  23          1HE2      GLN  23  -7.019  -8.788  -8.788
  451    H    ASN  24           H        ASN  24  -3.761  -6.111  -6.111
  452    HA   ASN  24           HA       ASN  24  -2.539  -8.518  -8.518
  453   1HB   ASN  24          2HB       ASN  24  -1.714  -6.650  -6.650
  454   2HB   ASN  24          1HB       ASN  24  -0.689  -7.873  -7.873
  455   1HD2  ASN  24          2HD2      ASN  24   0.328  -5.089  -5.089
  456   2HD2  ASN  24          1HD2      ASN  24   0.739  -6.001  -6.001
  457    H    ALA  25           H        ALA  25  -4.184  -7.583  -7.583
  458    HA   ALA  25           HA       ALA  25  -3.401  -9.856  -9.856
  459   1HB   ALA  25          1HB       ALA  25  -4.247  -7.788  -7.788
  460   2HB   ALA  25          3HB       ALA  25  -5.827  -8.070  -8.070
  461   3HB   ALA  25          2HB       ALA  25  -5.203  -9.190  -9.190
  462    H    LEU  26           H        LEU  26  -6.279  -9.066  -9.066
  463    HA   LEU  26           HA       LEU  26  -7.648 -11.509 -11.509
  464   1HB   LEU  26          2HB       LEU  26  -8.554  -9.252  -9.252
  465   2HB   LEU  26          1HB       LEU  26  -8.088  -9.949  -9.949
  466    HG   LEU  26           HG       LEU  26  -9.662 -11.634 -11.634
  467   1HD1  LEU  26          2HD1      LEU  26 -10.696  -9.303  -9.303
  468   2HD1  LEU  26          1HD1      LEU  26 -11.728 -10.683 -10.683
  469   3HD1  LEU  26          3HD1      LEU  26 -11.042  -9.718  -9.718
  470   1HD2  LEU  26          2HD2      LEU  26  -9.067 -11.466 -11.466
  471   2HD2  LEU  26          1HD2      LEU  26  -9.211 -12.885 -12.885
  472   3HD2  LEU  26          3HD2      LEU  26 -10.661 -12.071 -12.071
  473    H    LEU  27           H        LEU  27  -5.335 -10.476 -10.476
  474    HA   LEU  27           HA       LEU  27  -5.660 -12.593 -12.593
  475   1HB   LEU  27          2HB       LEU  27  -3.362 -10.764 -10.764
  476   2HB   LEU  27          1HB       LEU  27  -3.174 -12.067 -12.067
  477    HG   LEU  27           HG       LEU  27  -5.477 -10.129 -10.129
  478   1HD1  LEU  27          3HD1      LEU  27  -2.706  -9.829  -9.829
  479   2HD1  LEU  27          2HD1      LEU  27  -4.100  -8.831  -8.831
  480   3HD1  LEU  27          1HD1      LEU  27  -3.425  -8.779  -8.779
  481   1HD2  LEU  27          1HD2      LEU  27  -3.999 -11.906 -11.906
  482   2HD2  LEU  27          3HD2      LEU  27  -5.629 -12.159 -12.159
  483   3HD2  LEU  27          2HD2      LEU  27  -5.295 -10.793 -10.793
  484    H    GLU  28           H        GLU  28  -3.308 -12.190 -12.190
  485    HA   GLU  28           HA       GLU  28  -2.048 -14.683 -14.683
  486   1HB   GLU  28          2HB       GLU  28  -1.249 -12.791 -12.791
  487   2HB   GLU  28          1HB       GLU  28  -2.554 -13.139 -13.139
  488   1HG   GLU  28          2HG       GLU  28  -1.549 -15.036 -15.036
  489   2HG   GLU  28          1HG       GLU  28  -0.865 -15.452 -15.452
  490    H    GLN  29           H        GLN  29  -4.891 -13.719 -13.719
  491    HA   GLN  29           HA       GLN  29  -5.352 -16.089 -16.089
  492   1HB   GLN  29          2HB       GLN  29  -6.617 -13.748 -13.748
  493   2HB   GLN  29          1HB       GLN  29  -7.706 -14.627 -14.627
  494   1HG   GLN  29          2HG       GLN  29  -8.590 -15.028 -15.028
  495   2HG   GLN  29          1HG       GLN  29  -7.664 -16.487 -16.487
  496   1HE2  GLN  29          2HE2      GLN  29  -6.089 -13.817 -13.817
  497   2HE2  GLN  29          1HE2      GLN  29  -7.118 -13.239 -13.239
  498    H    GLN  30           H        GLN  30  -6.020 -15.260 -15.260
  499    HA   GLN  30           HA       GLN  30  -7.596 -17.659 -17.659
  500   1HB   GLN  30          2HB       GLN  30  -7.787 -15.335 -15.335
  501   2HB   GLN  30          1HB       GLN  30  -6.464 -15.952 -15.952
  502   1HG   GLN  30          2HG       GLN  30  -7.771 -17.899 -17.899
  503   2HG   GLN  30          1HG       GLN  30  -9.066 -17.434 -17.434
  504   1HE2  GLN  30          2HE2      GLN  30  -8.730 -15.582 -15.582
  505   2HE2  GLN  30          1HE2      GLN  30  -7.513 -16.633 -16.633
  506    H    VAL  31           H        VAL  31  -4.327 -16.487 -16.487
  507    HA   VAL  31           HA       VAL  31  -3.408 -18.525 -18.525
  508    HB   VAL  31           HB       VAL  31  -1.820 -16.970 -16.970
  509   1HG1  VAL  31          3HG1      VAL  31  -1.130 -18.763 -18.763
  510   2HG1  VAL  31          2HG1      VAL  31  -0.107 -17.354 -17.354
  511   3HG1  VAL  31          1HG1      VAL  31  -0.316 -18.562 -18.562
  512   1HG2  VAL  31          1HG2      VAL  31  -3.304 -15.928 -15.928
  513   2HG2  VAL  31          3HG2      VAL  31  -1.902 -15.153 -15.153
  514   3HG2  VAL  31          2HG2      VAL  31  -1.710 -16.128 -16.128
  515    H    ARG  32           H        ARG  32  -3.710 -18.300 -18.300
  516    HA   ARG  32           HA       ARG  32  -2.205 -20.621 -20.621
  517   1HB   ARG  32          2HB       ARG  32  -4.174 -18.888 -18.888
  518   2HB   ARG  32          1HB       ARG  32  -3.906 -20.503 -20.503
  519   1HG   ARG  32          2HG       ARG  32  -2.304 -19.118 -19.118
  520   2HG   ARG  32          1HG       ARG  32  -1.400 -19.983 -19.983
  521   1HD   ARG  32          2HD       ARG  32  -1.649 -18.039 -18.039
  522   2HD   ARG  32          1HD       ARG  32  -2.511 -17.174 -17.174
  523    HE   ARG  32           HE       ARG  32  -0.468 -16.708 -16.708
  524   1HH1  ARG  32          1HH1      ARG  32  -0.101 -19.411 -19.411
  525   2HH1  ARG  32          2HH1      ARG  32   1.617 -19.477 -19.477
  526   1HH2  ARG  32          1HH2      ARG  32   1.773 -16.829 -16.829
  527   2HH2  ARG  32          2HH2      ARG  32   2.671 -18.028 -18.028
  528    H    ALA  33           H        ALA  33  -5.535 -20.075 -20.075
  529    HA   ALA  33           HA       ALA  33  -6.477 -22.699 -22.699
  530   1HB   ALA  33          1HB       ALA  33  -7.834 -20.506 -20.506
  531   2HB   ALA  33          3HB       ALA  33  -7.741 -21.008 -21.008
  532   3HB   ALA  33          2HB       ALA  33  -8.509 -22.057 -22.057
  533    H    LEU  34           H        LEU  34  -5.777 -21.124 -21.124
  534    HA   LEU  34           HA       LEU  34  -5.992 -23.512 -23.512
  535   1HB   LEU  34          2HB       LEU  34  -4.807 -20.794 -20.794
  536   2HB   LEU  34          1HB       LEU  34  -4.596 -22.101 -22.101
  537    HG   LEU  34           HG       LEU  34  -6.569 -20.717 -20.717
  538   1HD1  LEU  34          1HD1      LEU  34  -6.424 -23.354 -23.354
  539   2HD1  LEU  34          3HD1      LEU  34  -7.722 -23.292 -23.292
  540   3HD1  LEU  34          2HD1      LEU  34  -7.925 -22.507 -22.507
  541   1HD2  LEU  34          3HD2      LEU  34  -7.062 -20.101 -20.101
  542   2HD2  LEU  34          2HD2      LEU  34  -8.481 -20.598 -20.598
  543   3HD2  LEU  34          1HD2      LEU  34  -7.733 -21.718 -21.718
  544   1HN   NH2  35          1HT       LEU  34  -4.628 -25.154 -25.154
  545   2HN   NH2  35          2HT       LEU  34  -2.935 -25.051 -25.051

  Start of MODEL   23
    1   1H    ACE   2          1HA       ACE   2  -3.123  26.046  26.046
    2   2H    ACE   2          2HA       ACE   2  -2.139  27.467  27.467
    3   3H    ACE   2          3HA       ACE   2  -2.509  26.311  26.311
    4    H    CYS   3           H        CYS   3  -2.126  23.990  23.990
    5    HA   CYS   3           HA       CYS   3  -0.462  22.513  22.513
    6   1HB   CYS   3          2HB       CYS   3   0.604  25.132  25.132
    7   2HB   CYS   3          1HB       CYS   3   1.685  23.739  23.739
    8    H    GLY   4           H        GLY   4  -0.198  21.905  21.905
    9   1HA   GLY   4          2HA       GLY   4   2.321  22.910  22.910
   10   2HA   GLY   4          1HA       GLY   4   0.908  22.519  22.519
   11    H    GLY   5           H        GLY   5   3.742  21.328  21.328
   12   1HA   GLY   5          2HA       GLY   5   4.785  19.276  19.276
   13   2HA   GLY   5          1HA       GLY   5   3.639  18.843  18.843
   14    H    VAL   6           H        VAL   6   2.682  19.844  19.844
   15    HA   VAL   6           HA       VAL   6   1.258  17.331  17.331
   16    HB   VAL   6           HB       VAL   6   1.448  19.689  19.689
   17   1HG1  VAL   6          3HG1      VAL   6   0.596  17.312  17.312
   18   2HG1  VAL   6          2HG1      VAL   6  -0.828  17.737  17.737
   19   3HG1  VAL   6          1HG1      VAL   6  -0.362  18.730  18.730
   20   1HG2  VAL   6          1HG2      VAL   6  -0.352  19.114  19.114
   21   2HG2  VAL   6          3HG2      VAL   6   0.533  20.596  20.596
   22   3HG2  VAL   6          2HG2      VAL   6  -0.881  20.152  20.152
   23    H    GLN   7           H        GLN   7   3.879  19.144  19.144
   24    HA   GLN   7           HA       GLN   7   4.349  17.367  17.367
   25   1HB   GLN   7          2HB       GLN   7   6.648  18.381  18.381
   26   2HB   GLN   7          1HB       GLN   7   5.341  19.564  19.564
   27   1HG   GLN   7          2HG       GLN   7   5.635  20.072  20.072
   28   2HG   GLN   7          1HG       GLN   7   6.676  18.670  18.670
   29   1HE2  GLN   7          2HE2      GLN   7   8.236  22.093  22.093
   30   2HE2  GLN   7          1HE2      GLN   7   6.558  21.934  21.934
   31    H    ALA   8           H        ALA   8   5.319  17.310  17.310
   32    HA   ALA   8           HA       ALA   8   7.287  15.223  15.223
   33   1HB   ALA   8          3HB       ALA   8   7.025  17.035  17.035
   34   2HB   ALA   8          2HB       ALA   8   6.028  15.777  15.777
   35   3HB   ALA   8          1HB       ALA   8   7.715  15.448  15.448
   36    H    GLU   9           H        GLU   9   3.938  15.447  15.447
   37    HA   GLU   9           HA       GLU   9   3.659  12.737  12.737
   38   1HB   GLU   9          2HB       GLU   9   1.741  14.931  14.931
   39   2HB   GLU   9          1HB       GLU   9   1.146  13.280  13.280
   40   1HG   GLU   9          2HG       GLU   9   2.917  14.531  14.531
   41   2HG   GLU   9          1HG       GLU   9   1.176  14.808  14.808
   42    H    GLU  10           H        GLU  10   3.353  14.397  14.397
   43    HA   GLU  10           HA       GLU  10   2.097  12.236  12.236
   44   1HB   GLU  10          2HB       GLU  10   2.365  14.814  14.814
   45   2HB   GLU  10          1HB       GLU  10   3.793  14.212  14.212
   46   1HG   GLU  10          2HG       GLU  10   2.373  12.535  12.535
   47   2HG   GLU  10          1HG       GLU  10   0.953  13.211  13.211
   48    H    GLN  11           H        GLN  11   5.417  13.242  13.242
   49    HA   GLN  11           HA       GLN  11   6.667  11.517  11.517
   50   1HB   GLN  11          2HB       GLN  11   7.624  12.851  12.851
   51   2HB   GLN  11          1HB       GLN  11   8.669  11.786  11.786
   52   1HG   GLN  11          2HG       GLN  11   8.538  13.185  13.185
   53   2HG   GLN  11          1HG       GLN  11   7.191  14.105  14.105
   54   1HE2  GLN  11          2HE2      GLN  11  10.592  15.815  15.815
   55   2HE2  GLN  11          1HE2      GLN  11   9.974  15.020  15.020
   56    H    LYS  12           H        LYS  12   5.782  11.136  11.136
   57    HA   LYS  12           HA       LYS  12   6.938   8.519   8.519
   58   1HB   LYS  12          2HB       LYS  12   6.373  10.206  10.206
   59   2HB   LYS  12          1HB       LYS  12   4.731   9.572   9.572
   60   1HG   LYS  12          2HG       LYS  12   5.348   7.449   7.449
   61   2HG   LYS  12          1HG       LYS  12   7.022   7.646   7.646
   62   1HD   LYS  12          2HD       LYS  12   5.991   9.464   9.464
   63   2HD   LYS  12          1HD       LYS  12   6.363   7.795   7.795
   64   1HE   LYS  12          2HE       LYS  12   8.335   9.430   9.430
   65   2HE   LYS  12          1HE       LYS  12   8.261   9.574   9.574
   66   1HZ   LYS  12          3HZ       LYS  12   8.520   7.143   7.143
   67   2HZ   LYS  12          2HZ       LYS  12   8.725   7.089   7.089
   68   3HZ   LYS  12          1HZ       LYS  12   9.854   7.906   7.906
   69    H    LEU  13           H        LEU  13   3.798   9.810   9.810
   70    HA   LEU  13           HA       LEU  13   2.277   7.443   7.443
   71   1HB   LEU  13          2HB       LEU  13   1.977  10.010  10.010
   72   2HB   LEU  13          1HB       LEU  13   0.946   8.653   8.653
   73    HG   LEU  13           HG       LEU  13   1.248   9.383   9.383
   74   1HD1  LEU  13          3HD1      LEU  13   0.544  11.350  11.350
   75   2HD1  LEU  13          2HD1      LEU  13  -1.015  10.531  10.531
   76   3HD1  LEU  13          1HD1      LEU  13  -0.249  11.137  11.137
   77   1HD2  LEU  13          2HD2      LEU  13   0.004   7.323   7.323
   78   2HD2  LEU  13          1HD2      LEU  13  -0.629   8.071   8.071
   79   3HD2  LEU  13          3HD2      LEU  13  -1.293   8.515   8.515
   80    H    ILE  14           H        ILE  14   4.036   8.844   8.844
   81    HA   ILE  14           HA       ILE  14   3.349   6.875   6.875
   82    HB   ILE  14           HB       ILE  14   5.892   8.518   8.518
   83   1HG1  ILE  14          2HG1      ILE  14   3.548   9.233   9.233
   84   2HG1  ILE  14          1HG1      ILE  14   3.443   9.593   9.593
   85   1HG2  ILE  14          2HG2      ILE  14   4.512   6.965   6.965
   86   2HG2  ILE  14          1HG2      ILE  14   5.679   8.241   8.241
   87   3HG2  ILE  14          3HG2      ILE  14   6.178   6.809   6.809
   88   1HD1  ILE  14          3HD1      ILE  14   5.622  10.790  10.790
   89   2HD1  ILE  14          2HD1      ILE  14   5.638  10.498  10.498
   90   3HD1  ILE  14          1HD1      ILE  14   4.388  11.517  11.517
   91    H    SER  15           H        SER  15   6.287   7.216   7.216
   92    HA   SER  15           HA       SER  15   7.570   4.871   4.871
   93   1HB   SER  15          2HB       SER  15   7.664   6.363   6.363
   94   2HB   SER  15          1HB       SER  15   8.699   4.982   4.982
   95    HG   SER  15           HG       SER  15   9.862   6.213   6.213
   96    H    GLU  16           H        GLU  16   4.973   5.366   5.366
   97    HA   GLU  16           HA       GLU  16   5.132   2.813   2.813
   98   1HB   GLU  16          2HB       GLU  16   3.100   5.001   5.001
   99   2HB   GLU  16          1HB       GLU  16   2.590   3.410   3.410
  100   1HG   GLU  16          2HG       GLU  16   4.766   3.580   3.580
  101   2HG   GLU  16          1HG       GLU  16   4.572   5.311   5.311
  102    H    GLU  17           H        GLU  17   2.845   4.105   4.105
  103    HA   GLU  17           HA       GLU  17   1.585   1.646   1.646
  104   1HB   GLU  17          2HB       GLU  17   0.813   2.743   2.743
  105   2HB   GLU  17          1HB       GLU  17   0.571   3.761   3.761
  106   1HG   GLU  17          2HG       GLU  17   2.588   5.033   5.033
  107   2HG   GLU  17          1HG       GLU  17   2.949   3.965   3.965
  108    H    ASP  18           H        ASP  18   4.506   3.132   3.132
  109    HA   ASP  18           HA       ASP  18   4.900   1.543   1.543
  110   1HB   ASP  18          2HB       ASP  18   6.205   3.611   3.611
  111   2HB   ASP  18          1HB       ASP  18   7.072   2.641   2.641
  112    H    LEU  19           H        LEU  19   5.620   1.000   1.000
  113    HA   LEU  19           HA       LEU  19   7.185  -1.369  -1.369
  114   1HB   LEU  19          2HB       LEU  19   5.973  -0.003  -0.003
  115   2HB   LEU  19          1HB       LEU  19   6.484  -1.684  -1.684
  116    HG   LEU  19           HG       LEU  19   8.300   0.421   0.421
  117   1HD1  LEU  19          3HD1      LEU  19   7.616  -0.149  -0.149
  118   2HD1  LEU  19          2HD1      LEU  19   9.318   0.109   0.109
  119   3HD1  LEU  19          1HD1      LEU  19   8.130   1.362   1.362
  120   1HD2  LEU  19          2HD2      LEU  19   8.605  -2.367  -2.367
  121   2HD2  LEU  19          1HD2      LEU  19   9.082  -1.770  -1.770
  122   3HD2  LEU  19          3HD2      LEU  19   9.988  -1.283  -1.283
  123    H    LEU  20           H        LEU  20   3.779  -0.671  -0.671
  124    HA   LEU  20           HA       LEU  20   3.048  -3.426  -3.426
  125   1HB   LEU  20          2HB       LEU  20   1.538  -0.867  -0.867
  126   2HB   LEU  20          1HB       LEU  20   0.699  -2.413  -2.413
  127    HG   LEU  20           HG       LEU  20   2.518  -1.968  -1.968
  128   1HD1  LEU  20          3HD1      LEU  20   1.120   0.114   0.114
  129   2HD1  LEU  20          2HD1      LEU  20  -0.319  -0.900  -0.900
  130   3HD1  LEU  20          1HD1      LEU  20   0.797  -0.796  -0.796
  131   1HD2  LEU  20          3HD2      LEU  20   1.336  -4.131  -4.131
  132   2HD2  LEU  20          2HD2      LEU  20   0.875  -3.402  -3.402
  133   3HD2  LEU  20          1HD2      LEU  20  -0.203  -3.283  -3.283
  134    H    ARG  21           H        ARG  21   2.794  -1.138  -1.138
  135    HA   ARG  21           HA       ARG  21   1.446  -2.842  -2.842
  136   1HB   ARG  21          2HB       ARG  21   2.326  -1.392  -1.392
  137   2HB   ARG  21          1HB       ARG  21   1.698  -0.448  -0.448
  138   1HG   ARG  21          2HG       ARG  21   3.989  -0.182  -0.182
  139   2HG   ARG  21          1HG       ARG  21   4.614  -1.116  -1.116
  140   1HD   ARG  21          2HD       ARG  21   3.162   0.706   0.706
  141   2HD   ARG  21          1HD       ARG  21   3.560   1.666   1.666
  142    HE   ARG  21           HE       ARG  21   5.925   0.445   0.445
  143   1HH1  ARG  21          1HH1      ARG  21   3.596   2.802   2.802
  144   2HH1  ARG  21          2HH1      ARG  21   4.756   3.658   3.658
  145   1HH2  ARG  21          1HH2      ARG  21   7.405   1.591   1.591
  146   2HH2  ARG  21          2HH2      ARG  21   6.894   2.980   2.980
  147    H    LYS  22           H        LYS  22   4.825  -2.620  -2.620
  148    HA   LYS  22           HA       LYS  22   5.751  -4.328  -4.328
  149   1HB   LYS  22          2HB       LYS  22   6.981  -2.617  -2.617
  150   2HB   LYS  22          1HB       LYS  22   7.467  -4.220  -4.220
  151   1HG   LYS  22          2HG       LYS  22   7.680  -3.314  -3.314
  152   2HG   LYS  22          1HG       LYS  22   9.004  -3.185  -3.185
  153   1HD   LYS  22          2HD       LYS  22   9.072  -5.570  -5.570
  154   2HD   LYS  22          1HD       LYS  22   7.579  -5.787  -5.787
  155   1HE   LYS  22          2HE       LYS  22   9.456  -6.352  -6.352
  156   2HE   LYS  22          1HE       LYS  22   8.733  -4.850  -4.850
  157   1HZ   LYS  22          2HZ       LYS  22  10.427  -3.627  -3.627
  158   2HZ   LYS  22          1HZ       LYS  22  11.148  -5.094  -5.094
  159   3HZ   LYS  22          3HZ       LYS  22  11.117  -4.645  -4.645
  160    H    ARG  23           H        ARG  23   4.720  -4.679  -4.679
  161    HA   ARG  23           HA       ARG  23   5.579  -7.316  -7.316
  162   1HB   ARG  23          2HB       ARG  23   4.370  -5.480  -5.480
  163   2HB   ARG  23          1HB       ARG  23   2.963  -6.461  -6.461
  164   1HG   ARG  23          2HG       ARG  23   5.478  -7.844  -7.844
  165   2HG   ARG  23          1HG       ARG  23   4.464  -7.080  -7.080
  166   1HD   ARG  23          2HD       ARG  23   2.551  -8.392  -8.392
  167   2HD   ARG  23          1HD       ARG  23   3.411  -9.028  -9.028
  168    HE   ARG  23           HE       ARG  23   3.592  -9.991  -9.991
  169   1HH1  ARG  23          1HH1      ARG  23   5.359  -9.620  -9.620
  170   2HH1  ARG  23          2HH1      ARG  23   6.419 -10.946 -10.946
  171   1HH2  ARG  23          1HH2      ARG  23   4.994 -11.714 -11.714
  172   2HH2  ARG  23          2HH2      ARG  23   6.216 -12.123 -12.123
  173    H    ARG  24           H        ARG  24   2.376  -6.136  -6.136
  174    HA   ARG  24           HA       ARG  24   1.258  -8.679  -8.679
  175   1HB   ARG  24          2HB       ARG  24  -0.390  -7.531  -7.531
  176   2HB   ARG  24          1HB       ARG  24  -0.153  -6.718  -6.718
  177   1HG   ARG  24          2HG       ARG  24   1.588  -5.269  -5.269
  178   2HG   ARG  24          1HG       ARG  24   0.854  -5.899  -5.899
  179   1HD   ARG  24          2HD       ARG  24  -0.126  -3.715  -3.715
  180   2HD   ARG  24          1HD       ARG  24  -1.311  -5.001  -5.001
  181    HE   ARG  24           HE       ARG  24  -0.265  -3.808  -3.808
  182   1HH1  ARG  24          1HH1      ARG  24  -2.364  -6.180  -6.180
  183   2HH1  ARG  24          2HH1      ARG  24  -3.333  -6.372  -6.372
  184   1HH2  ARG  24          1HH2      ARG  24  -1.539  -4.123  -4.123
  185   2HH2  ARG  24          2HH2      ARG  24  -2.871  -5.227  -5.227
  186    H    GLU  25           H        GLU  25   3.440  -6.756  -6.756
  187    HA   GLU  25           HA       GLU  25   3.040  -7.943  -7.943
  188   1HB   GLU  25          2HB       GLU  25   4.653  -5.966  -5.966
  189   2HB   GLU  25          1HB       GLU  25   5.826  -7.279  -7.279
  190   1HG   GLU  25          2HG       GLU  25   3.945  -6.619  -6.619
  191   2HG   GLU  25          1HG       GLU  25   5.549  -5.901  -5.901
  192    H    GLN  26           H        GLN  26   4.839  -8.934  -8.934
  193    HA   GLN  26           HA       GLN  26   5.985 -11.260 -11.260
  194   1HB   GLN  26          2HB       GLN  26   7.003  -9.824  -9.824
  195   2HB   GLN  26          1HB       GLN  26   6.019 -10.892 -10.892
  196   1HG   GLN  26          2HG       GLN  26   7.065 -12.852 -12.852
  197   2HG   GLN  26          1HG       GLN  26   8.149 -11.722 -11.722
  198   1HE2  GLN  26          2HE2      GLN  26   9.878 -10.880 -10.880
  199   2HE2  GLN  26          1HE2      GLN  26   9.298 -10.141 -10.141
  200    H    LEU  27           H        LEU  27   3.402 -10.446 -10.446
  201    HA   LEU  27           HA       LEU  27   2.691 -13.053 -13.053
  202   1HB   LEU  27          2HB       LEU  27   0.922 -10.618 -10.618
  203   2HB   LEU  27          1HB       LEU  27   0.469 -12.083 -12.083
  204    HG   LEU  27           HG       LEU  27   2.925 -10.473 -10.473
  205   1HD1  LEU  27          2HD1      LEU  27   0.057  -9.990  -9.990
  206   2HD1  LEU  27          1HD1      LEU  27   1.148  -9.927  -9.927
  207   3HD1  LEU  27          3HD1      LEU  27   1.414  -8.863  -8.863
  208   1HD2  LEU  27          1HD2      LEU  27   1.397 -12.789 -12.789
  209   2HD2  LEU  27          3HD2      LEU  27   3.141 -12.533 -12.533
  210   3HD2  LEU  27          2HD2      LEU  27   2.183 -11.681 -11.681
  211    H    LYS  28           H        LYS  28   1.722 -11.078 -11.078
  212    HA   LYS  28           HA       LYS  28  -0.173 -12.981 -12.981
  213   1HB   LYS  28          2HB       LYS  28   1.075 -10.457 -10.457
  214   2HB   LYS  28          1HB       LYS  28   0.236 -11.525 -11.525
  215   1HG   LYS  28          2HG       LYS  28  -1.063 -10.723 -10.723
  216   2HG   LYS  28          1HG       LYS  28  -1.139  -9.659  -9.659
  217   1HD   LYS  28          2HD       LYS  28  -2.338 -11.230 -11.230
  218   2HD   LYS  28          1HD       LYS  28  -1.876 -12.571 -12.571
  219   1HE   LYS  28          2HE       LYS  28  -4.219 -11.943 -11.943
  220   2HE   LYS  28          1HE       LYS  28  -3.238 -11.598 -11.598
  221   1HZ   LYS  28          3HZ       LYS  28  -3.646  -9.520  -9.520
  222   2HZ   LYS  28          2HZ       LYS  28  -4.857  -9.816  -9.816
  223   3HZ   LYS  28          1HZ       LYS  28  -3.301  -9.345  -9.345
  224    H    HIS  29           H        HIS  29   3.246 -12.338 -12.338
  225    HA   HIS  29           HA       HIS  29   3.715 -13.780 -13.780
  226   1HB   HIS  29          2HB       HIS  29   5.367 -12.934 -12.934
  227   2HB   HIS  29          1HB       HIS  29   6.018 -14.223 -14.223
  228    HD1  HIS  29           HD1      HIS  29   5.016 -13.316 -13.316
  229    HD2  HIS  29           HD2      HIS  29   6.738 -10.726 -10.726
  230    HE1  HIS  29           HE1      HIS  29   5.892 -11.337 -11.337
  231    H    LYS  30           H        LYS  30   3.116 -14.870 -14.870
  232    HA   LYS  30           HA       LYS  30   3.906 -17.616 -17.616
  233   1HB   LYS  30          2HB       LYS  30   4.261 -16.328 -16.328
  234   2HB   LYS  30          1HB       LYS  30   2.616 -16.888 -16.888
  235   1HG   LYS  30          2HG       LYS  30   3.224 -19.146 -19.146
  236   2HG   LYS  30          1HG       LYS  30   4.681 -18.812 -18.812
  237   1HD   LYS  30          2HD       LYS  30   5.540 -17.555 -17.555
  238   2HD   LYS  30          1HD       LYS  30   4.205 -18.300 -18.300
  239   1HE   LYS  30          2HE       LYS  30   5.097 -20.428 -20.428
  240   2HE   LYS  30          1HE       LYS  30   5.946 -20.067 -20.067
  241   1HZ   LYS  30          2HZ       LYS  30   6.701 -18.787 -18.787
  242   2HZ   LYS  30          1HZ       LYS  30   7.333 -20.295 -20.295
  243   3HZ   LYS  30          3HZ       LYS  30   7.617 -18.930 -18.930
  244    H    LEU  31           H        LEU  31   1.035 -15.863 -15.863
  245    HA   LEU  31           HA       LEU  31  -0.753 -18.042 -18.042
  246   1HB   LEU  31          2HB       LEU  31  -1.022 -15.649 -15.649
  247   2HB   LEU  31          1HB       LEU  31  -1.705 -15.247 -15.247
  248    HG   LEU  31           HG       LEU  31  -2.614 -17.645 -17.645
  249   1HD1  LEU  31          3HD1      LEU  31  -2.922 -15.302 -15.302
  250   2HD1  LEU  31          2HD1      LEU  31  -4.120 -15.041 -15.041
  251   3HD1  LEU  31          1HD1      LEU  31  -4.325 -16.365 -16.365
  252   1HD2  LEU  31          1HD2      LEU  31  -3.524 -16.182 -16.182
  253   2HD2  LEU  31          3HD2      LEU  31  -3.319 -17.916 -17.916
  254   3HD2  LEU  31          2HD2      LEU  31  -4.694 -17.078 -17.078
  255    H    GLU  32           H        GLU  32  -0.193 -15.350 -15.350
  256    HA   GLU  32           HA       GLU  32  -1.979 -16.199 -16.199
  257   1HB   GLU  32          2HB       GLU  32  -0.589 -13.976 -13.976
  258   2HB   GLU  32          1HB       GLU  32   0.575 -14.835 -14.835
  259   1HG   GLU  32          2HG       GLU  32  -0.809 -13.718 -13.718
  260   2HG   GLU  32          1HG       GLU  32  -1.437 -15.366 -15.366
  261    H    GLN  33           H        GLN  33   1.244 -17.273 -17.273
  262    HA   GLN  33           HA       GLN  33   2.007 -18.468 -18.468
  263   1HB   GLN  33          2HB       GLN  33   3.220 -18.221 -18.221
  264   2HB   GLN  33          1HB       GLN  33   2.677 -19.892 -19.892
  265   1HG   GLN  33          2HG       GLN  33   4.659 -20.292 -20.292
  266   2HG   GLN  33          1HG       GLN  33   3.649 -19.987 -19.987
  267   1HE2  GLN  33          2HE2      GLN  33   6.217 -17.020 -17.020
  268   2HE2  GLN  33          1HE2      GLN  33   5.646 -18.139 -18.139
  269    H    LEU  34           H        LEU  34  -0.164 -19.547 -19.547
  270    HA   LEU  34           HA       LEU  34  -0.616 -22.071 -22.071
  271   1HB   LEU  34          2HB       LEU  34  -0.782 -21.312 -21.312
  272   2HB   LEU  34          1HB       LEU  34  -1.945 -22.500 -22.500
  273    HG   LEU  34           HG       LEU  34   1.029 -22.725 -22.725
  274   1HD1  LEU  34          3HD1      LEU  34   0.344 -22.746 -22.746
  275   2HD1  LEU  34          2HD1      LEU  34  -0.530 -24.234 -24.234
  276   3HD1  LEU  34          1HD1      LEU  34   1.220 -24.160 -24.160
  277   1HD2  LEU  34          1HD2      LEU  34  -1.003 -23.966 -23.966
  278   2HD2  LEU  34          3HD2      LEU  34   0.536 -24.766 -24.766
  279   3HD2  LEU  34          2HD2      LEU  34  -0.841 -25.043 -25.043
  280   1HN   NH2  35          1HT       LEU  34  -2.137 -19.072 -19.072
  281   2HN   NH2  35          2HT       LEU  34  -3.679 -19.436 -19.436
  282   1H    ACE   2          1HA       ACE   2   2.953  24.901  24.901
  283   2H    ACE   2          2HA       ACE   2   3.757  25.511  25.511
  284   3H    ACE   2          3HA       ACE   2   3.133  26.638  26.638
  285    H    CYS   3           H        CYS   3   1.901  23.856  23.856
  286    HA   CYS   3           HA       CYS   3  -0.034  23.559  23.559
  287   1HB   CYS   3          2HB       CYS   3   0.971  25.779  25.779
  288   2HB   CYS   3          1HB       CYS   3  -0.421  26.517  26.517
  289    H    GLY   4           H        GLY   4  -1.042  22.801  22.801
  290   1HA   GLY   4          2HA       GLY   4  -3.242  24.573  24.573
  291   2HA   GLY   4          1HA       GLY   4  -2.271  23.749  23.749
  292    H    GLY   5           H        GLY   5  -2.535  21.563  21.563
  293   1HA   GLY   5          2HA       GLY   5  -4.976  20.402  20.402
  294   2HA   GLY   5          1HA       GLY   5  -4.200  19.881  19.881
  295    H    MET   6           H        MET   6  -2.419  20.516  20.516
  296    HA   MET   6           HA       MET   6  -1.219  17.915  17.915
  297   1HB   MET   6          2HB       MET   6  -0.405  20.278  20.278
  298   2HB   MET   6          1HB       MET   6  -1.052  19.553  19.553
  299   1HG   MET   6          2HG       MET   6   0.530  17.882  17.882
  300   2HG   MET   6          1HG       MET   6   0.664  17.821  17.821
  301   1HE   MET   6          1HE       MET   6   1.893  18.534  18.534
  302   2HE   MET   6          3HE       MET   6   3.355  19.517  19.517
  303   3HE   MET   6          2HE       MET   6   1.789  20.290  20.290
  304    H    ARG   7           H        ARG   7  -3.843  19.430  19.430
  305    HA   ARG   7           HA       ARG   7  -4.137  17.513  17.513
  306   1HB   ARG   7          2HB       ARG   7  -5.267  19.807  19.807
  307   2HB   ARG   7          1HB       ARG   7  -6.430  19.020  19.020
  308   1HG   ARG   7          2HG       ARG   7  -7.298  17.694  17.694
  309   2HG   ARG   7          1HG       ARG   7  -5.806  17.735  17.735
  310   1HD   ARG   7          2HD       ARG   7  -6.229  20.166  20.166
  311   2HD   ARG   7          1HD       ARG   7  -7.787  19.997  19.997
  312    HE   ARG   7           HE       ARG   7  -7.707  18.025  18.025
  313   1HH1  ARG   7          1HH1      ARG   7  -7.542  21.520  21.520
  314   2HH1  ARG   7          2HH1      ARG   7  -8.247  21.726  21.726
  315   1HH2  ARG   7          1HH2      ARG   7  -8.624  18.340  18.340
  316   2HH2  ARG   7          2HH2      ARG   7  -8.855  19.943  19.943
  317    H    ARG   8           H        ARG   8  -5.247  17.643  17.643
  318    HA   ARG   8           HA       ARG   8  -7.044  15.417  15.417
  319   1HB   ARG   8          2HB       ARG   8  -5.831  16.984  16.984
  320   2HB   ARG   8          1HB       ARG   8  -6.613  15.441  15.441
  321   1HG   ARG   8          2HG       ARG   8  -8.672  16.218  16.218
  322   2HG   ARG   8          1HG       ARG   8  -7.896  17.753  17.753
  323   1HD   ARG   8          2HD       ARG   8  -9.204  18.101  18.101
  324   2HD   ARG   8          1HD       ARG   8  -7.509  18.097  18.097
  325    HE   ARG   8           HE       ARG   8  -8.299  15.490  15.490
  326   1HH1  ARG   8          1HH1      ARG   8  -9.471  18.579  18.579
  327   2HH1  ARG   8          2HH1      ARG   8 -10.092  17.915  17.915
  328   1HH2  ARG   8          1HH2      ARG   8  -9.126  14.668  14.668
  329   2HH2  ARG   8          2HH2      ARG   8  -9.901  15.722  15.722
  330    H    LYS   9           H        LYS   9  -3.675  15.844  15.844
  331    HA   LYS   9           HA       LYS   9  -3.240  13.188  13.188
  332   1HB   LYS   9          2HB       LYS   9  -1.500  15.477  15.477
  333   2HB   LYS   9          1HB       LYS   9  -0.771  13.873  13.873
  334   1HG   LYS   9          2HG       LYS   9  -2.135  13.822  13.822
  335   2HG   LYS   9          1HG       LYS   9  -1.859  15.560  15.560
  336   1HD   LYS   9          2HD       LYS   9   0.416  15.356  15.356
  337   2HD   LYS   9          1HD       LYS   9   0.467  13.797  13.797
  338   1HE   LYS   9          2HE       LYS   9   0.972  13.472  13.472
  339   2HE   LYS   9          1HE       LYS   9  -0.594  12.746  12.746
  340   1HZ   LYS   9          1HZ       LYS   9  -0.315  15.506  15.506
  341   2HZ   LYS   9          3HZ       LYS   9  -0.490  14.162  14.162
  342   3HZ   LYS   9          2HZ       LYS   9  -1.722  14.556  14.556
  343    H    ASN  10           H        ASN  10  -3.133  14.721  14.721
  344    HA   ASN  10           HA       ASN  10  -1.839  12.537  12.537
  345   1HB   ASN  10          2HB       ASN  10  -3.296  15.008  15.008
  346   2HB   ASN  10          1HB       ASN  10  -2.903  13.744  13.744
  347   1HD2  ASN  10          2HD2      ASN  10   0.225  15.366  15.366
  348   2HD2  ASN  10          1HD2      ASN  10  -1.243  14.962  14.962
  349    H    ASP  11           H        ASP  11  -5.167  13.524  13.524
  350    HA   ASP  11           HA       ASP  11  -6.445  11.709  11.709
  351   1HB   ASP  11          2HB       ASP  11  -7.482  13.686  13.686
  352   2HB   ASP  11          1HB       ASP  11  -7.591  12.592  12.592
  353    H    THR  12           H        THR  12  -5.681  11.475  11.475
  354    HA   THR  12           HA       THR  12  -6.696   8.873   8.873
  355    HB   THR  12           HB       THR  12  -6.169  10.312  10.312
  356    HG1  THR  12           HG1      THR  12  -5.724   8.586   8.586
  357   1HG2  THR  12          2HG2      THR  12  -3.305  10.019  10.019
  358   2HG2  THR  12          1HG2      THR  12  -3.778  10.718  10.718
  359   3HG2  THR  12          3HG2      THR  12  -4.251  11.507  11.507
  360    H    HIS  13           H        HIS  13  -3.626  10.054  10.054
  361    HA   HIS  13           HA       HIS  13  -2.126   7.676   7.676
  362   1HB   HIS  13          2HB       HIS  13  -1.952  10.165  10.165
  363   2HB   HIS  13          1HB       HIS  13  -1.009   8.770   8.770
  364    HD1  HIS  13           HD1      HIS  13  -0.067   7.566   7.566
  365    HD2  HIS  13           HD2      HIS  13  -0.163  11.688  11.688
  366    HE1  HIS  13           HE1      HIS  13   1.574   8.570   8.570
  367    H    GLN  14           H        GLN  14  -4.356   8.883   8.883
  368    HA   GLN  14           HA       GLN  14  -3.847   6.806   6.806
  369   1HB   GLN  14          2HB       GLN  14  -5.881   8.966   8.966
  370   2HB   GLN  14          1HB       GLN  14  -6.276   7.613   7.613
  371   1HG   GLN  14          2HG       GLN  14  -4.631   8.142   8.142
  372   2HG   GLN  14          1HG       GLN  14  -3.562   8.813   8.813
  373   1HE2  GLN  14          2HE2      GLN  14  -4.527  11.936  11.936
  374   2HE2  GLN  14          1HE2      GLN  14  -3.294  10.773  10.773
  375    H    GLN  15           H        GLN  15  -6.337   7.362   7.362
  376    HA   GLN  15           HA       GLN  15  -7.885   5.058   5.058
  377   1HB   GLN  15          2HB       GLN  15  -8.307   7.143   7.143
  378   2HB   GLN  15          1HB       GLN  15  -7.618   6.063   6.063
  379   1HG   GLN  15          2HG       GLN  15  -9.386   4.600   4.600
  380   2HG   GLN  15          1HG       GLN  15  -9.680   4.904   4.904
  381   1HE2  GLN  15          2HE2      GLN  15 -11.064   7.862   7.862
  382   2HE2  GLN  15          1HE2      GLN  15  -9.496   7.253   7.253
  383    H    ASP  16           H        ASP  16  -5.113   5.628   5.628
  384    HA   ASP  16           HA       ASP  16  -5.095   3.118   3.118
  385   1HB   ASP  16          2HB       ASP  16  -3.664   5.332   5.332
  386   2HB   ASP  16          1HB       ASP  16  -2.506   4.459   4.459
  387    H    ILE  17           H        ILE  17  -3.622   4.259   4.259
  388    HA   ILE  17           HA       ILE  17  -2.087   1.988   1.988
  389    HB   ILE  17           HB       ILE  17  -3.338   4.196   4.196
  390   1HG1  ILE  17          2HG1      ILE  17  -1.264   4.611   4.611
  391   2HG1  ILE  17          1HG1      ILE  17  -0.981   4.722   4.722
  392   1HG2  ILE  17          2HG2      ILE  17  -2.328   1.601   1.601
  393   2HG2  ILE  17          1HG2      ILE  17  -1.798   3.063   3.063
  394   3HG2  ILE  17          3HG2      ILE  17  -3.520   2.709   2.709
  395   1HD1  ILE  17          2HD1      ILE  17  -0.510   2.046   2.046
  396   2HD1  ILE  17          1HD1      ILE  17   0.117   2.822   2.822
  397   3HD1  ILE  17          3HD1      ILE  17   0.735   3.287   3.287
  398    H    ASP  18           H        ASP  18  -5.118   2.880   2.880
  399    HA   ASP  18           HA       ASP  18  -5.686   0.548   0.548
  400   1HB   ASP  18          2HB       ASP  18  -7.351   2.759   2.759
  401   2HB   ASP  18          1HB       ASP  18  -8.206   1.277   1.277
  402    H    ASP  19           H        ASP  19  -6.125   1.223   1.223
  403    HA   ASP  19           HA       ASP  19  -7.749  -1.065  -1.065
  404   1HB   ASP  19          2HB       ASP  19  -7.352   1.089   1.089
  405   2HB   ASP  19          1HB       ASP  19  -5.939   0.218   0.218
  406    H    LEU  20           H        LEU  20  -4.296  -0.344  -0.344
  407    HA   LEU  20           HA       LEU  20  -3.493  -2.869  -2.869
  408   1HB   LEU  20          2HB       LEU  20  -1.958  -0.767  -0.767
  409   2HB   LEU  20          1HB       LEU  20  -1.221  -2.172  -2.172
  410    HG   LEU  20           HG       LEU  20  -2.959  -0.250  -0.250
  411   1HD1  LEU  20          3HD1      LEU  20  -0.061  -0.043  -0.043
  412   2HD1  LEU  20          2HD1      LEU  20  -0.589   0.560   0.560
  413   3HD1  LEU  20          1HD1      LEU  20  -1.280   1.228   1.228
  414   1HD2  LEU  20          1HD2      LEU  20  -2.276  -2.625  -2.625
  415   2HD2  LEU  20          3HD2      LEU  20  -2.019  -1.279  -1.279
  416   3HD2  LEU  20          2HD2      LEU  20  -0.664  -1.939  -1.939
  417    H    LYS  21           H        LYS  21  -2.744  -1.535  -1.535
  418    HA   LYS  21           HA       LYS  21  -1.959  -3.785  -3.785
  419   1HB   LYS  21          2HB       LYS  21  -3.572  -1.449  -1.449
  420   2HB   LYS  21          1HB       LYS  21  -2.966  -2.715  -2.715
  421   1HG   LYS  21          2HG       LYS  21  -0.694  -2.201  -2.201
  422   2HG   LYS  21          1HG       LYS  21  -1.462  -0.622  -0.622
  423   1HD   LYS  21          2HD       LYS  21  -1.336  -0.156  -0.156
  424   2HD   LYS  21          1HD       LYS  21  -1.575  -1.839  -1.839
  425   1HE   LYS  21          2HE       LYS  21   0.761  -2.305  -2.305
  426   2HE   LYS  21          1HE       LYS  21   0.971  -0.561  -0.561
  427   1HZ   LYS  21          3HZ       LYS  21   0.038  -1.725  -1.725
  428   2HZ   LYS  21          2HZ       LYS  21   1.695  -1.725  -1.725
  429   3HZ   LYS  21          1HZ       LYS  21   0.845  -0.257  -0.257
  430    H    ARG  22           H        ARG  22  -5.255  -2.956  -2.956
  431    HA   ARG  22           HA       ARG  22  -6.382  -5.066  -5.066
  432   1HB   ARG  22          2HB       ARG  22  -7.571  -2.883  -2.883
  433   2HB   ARG  22          1HB       ARG  22  -7.788  -3.418  -3.418
  434   1HG   ARG  22          2HG       ARG  22  -9.016  -5.391  -5.391
  435   2HG   ARG  22          1HG       ARG  22  -8.729  -4.955  -4.955
  436   1HD   ARG  22          2HD       ARG  22 -10.926  -4.178  -4.178
  437   2HD   ARG  22          1HD       ARG  22  -9.904  -2.745  -2.745
  438    HE   ARG  22           HE       ARG  22 -10.353  -2.555  -2.555
  439   1HH1  ARG  22          1HH1      ARG  22 -11.268  -5.743  -5.743
  440   2HH1  ARG  22          2HH1      ARG  22 -12.035  -6.170  -6.170
  441   1HH2  ARG  22          1HH2      ARG  22 -11.367  -3.150  -3.150
  442   2HH2  ARG  22          2HH2      ARG  22 -12.091  -4.715  -4.715
  443    H    GLN  23           H        GLN  23  -5.629  -4.470  -4.470
  444    HA   GLN  23           HA       GLN  23  -6.963  -6.787  -6.787
  445   1HB   GLN  23          2HB       GLN  23  -6.356  -4.800  -4.800
  446   2HB   GLN  23          1HB       GLN  23  -4.664  -5.275  -5.275
  447   1HG   GLN  23          2HG       GLN  23  -5.561  -6.148  -6.148
  448   2HG   GLN  23          1HG       GLN  23  -5.258  -7.495  -7.495
  449   1HE2  GLN  23          2HE2      GLN  23  -8.574  -8.563  -8.563
  450   2HE2  GLN  23          1HE2      GLN  23  -6.925  -8.965  -8.965
  451    H    ASN  24           H        ASN  24  -3.700  -6.127  -6.127
  452    HA   ASN  24           HA       ASN  24  -2.672  -8.699  -8.699
  453   1HB   ASN  24          2HB       ASN  24  -1.603  -6.343  -6.343
  454   2HB   ASN  24          1HB       ASN  24  -0.841  -7.898  -7.898
  455   1HD2  ASN  24          2HD2      ASN  24   0.794  -6.261  -6.261
  456   2HD2  ASN  24          1HD2      ASN  24   0.510  -5.756  -5.756
  457    H    ALA  25           H        ALA  25  -4.061  -7.287  -7.287
  458    HA   ALA  25           HA       ALA  25  -3.328  -9.282  -9.282
  459   1HB   ALA  25          3HB       ALA  25  -4.308  -7.082  -7.082
  460   2HB   ALA  25          2HB       ALA  25  -5.859  -7.620  -7.620
  461   3HB   ALA  25          1HB       ALA  25  -5.150  -8.439  -8.439
  462    H    LEU  26           H        LEU  26  -5.901  -9.080  -9.080
  463    HA   LEU  26           HA       LEU  26  -7.257 -11.450 -11.450
  464   1HB   LEU  26          2HB       LEU  26  -7.682  -9.514  -9.514
  465   2HB   LEU  26          1HB       LEU  26  -8.401 -11.118 -11.118
  466    HG   LEU  26           HG       LEU  26  -8.716  -9.505  -9.505
  467   1HD1  LEU  26          1HD1      LEU  26  -9.498  -8.393  -8.393
  468   2HD1  LEU  26          3HD1      LEU  26 -10.863  -9.487  -9.487
  469   3HD1  LEU  26          2HD1      LEU  26 -10.485  -8.285  -8.285
  470   1HD2  LEU  26          1HD2      LEU  26  -9.293 -12.046 -12.046
  471   2HD2  LEU  26          3HD2      LEU  26 -10.435 -11.016 -11.016
  472   3HD2  LEU  26          2HD2      LEU  26 -10.704 -11.397 -11.397
  473    H    LEU  27           H        LEU  27  -5.002 -10.579 -10.579
  474    HA   LEU  27           HA       LEU  27  -5.125 -13.081 -13.081
  475   1HB   LEU  27          2HB       LEU  27  -3.075 -10.858 -10.858
  476   2HB   LEU  27          1HB       LEU  27  -2.947 -12.290 -12.290
  477    HG   LEU  27           HG       LEU  27  -5.380 -10.492 -10.492
  478   1HD1  LEU  27          2HD1      LEU  27  -3.201  -9.373  -9.373
  479   2HD1  LEU  27          1HD1      LEU  27  -3.193 -10.519 -10.519
  480   3HD1  LEU  27          3HD1      LEU  27  -4.519  -9.369  -9.369
  481   1HD2  LEU  27          3HD2      LEU  27  -4.459 -12.895 -12.895
  482   2HD2  LEU  27          2HD2      LEU  27  -6.082 -12.467 -12.467
  483   3HD2  LEU  27          1HD2      LEU  27  -5.387 -11.677 -11.677
  484    H    GLU  28           H        GLU  28  -2.719 -11.653 -11.653
  485    HA   GLU  28           HA       GLU  28  -1.005 -13.865 -13.865
  486   1HB   GLU  28          2HB       GLU  28  -0.492 -11.579 -11.579
  487   2HB   GLU  28          1HB       GLU  28  -1.613 -11.868 -11.868
  488   1HG   GLU  28          2HG       GLU  28  -0.200 -13.324 -13.324
  489   2HG   GLU  28          1HG       GLU  28   0.441 -13.964 -13.964
  490    H    GLN  29           H        GLN  29  -3.829 -12.989 -12.989
  491    HA   GLN  29           HA       GLN  29  -3.691 -15.035 -15.035
  492   1HB   GLN  29          2HB       GLN  29  -5.284 -13.070 -13.070
  493   2HB   GLN  29          1HB       GLN  29  -6.259 -13.947 -13.947
  494   1HG   GLN  29          2HG       GLN  29  -6.466 -15.838 -15.838
  495   2HG   GLN  29          1HG       GLN  29  -5.501 -14.957 -14.957
  496   1HE2  GLN  29          2HE2      GLN  29  -9.437 -14.110 -14.110
  497   2HE2  GLN  29          1HE2      GLN  29  -8.695 -15.335 -15.335
  498    H    GLN  30           H        GLN  30  -4.867 -15.053 -15.053
  499    HA   GLN  30           HA       GLN  30  -5.980 -17.732 -17.732
  500   1HB   GLN  30          2HB       GLN  30  -6.660 -15.696 -15.696
  501   2HB   GLN  30          1HB       GLN  30  -5.497 -16.495 -16.495
  502   1HG   GLN  30          2HG       GLN  30  -7.652 -18.074 -18.074
  503   2HG   GLN  30          1HG       GLN  30  -7.976 -17.254 -17.254
  504   1HE2  GLN  30          2HE2      GLN  30  -5.799 -19.401 -19.401
  505   2HE2  GLN  30          1HE2      GLN  30  -6.427 -17.826 -17.826
  506    H    VAL  31           H        VAL  31  -3.110 -16.133 -16.133
  507    HA   VAL  31           HA       VAL  31  -2.027 -18.402 -18.402
  508    HB   VAL  31           HB       VAL  31  -0.593 -15.974 -15.974
  509   1HG1  VAL  31          1HG1      VAL  31   0.179 -18.227 -18.227
  510   2HG1  VAL  31          3HG1      VAL  31   0.881 -16.630 -16.630
  511   3HG1  VAL  31          2HG1      VAL  31   1.118 -17.457 -17.457
  512   1HG2  VAL  31          3HG2      VAL  31  -2.596 -15.983 -15.983
  513   2HG2  VAL  31          2HG2      VAL  31  -1.309 -14.781 -14.781
  514   3HG2  VAL  31          1HG2      VAL  31  -1.154 -16.157 -16.157
  515    H    ARG  32           H        ARG  32  -1.876 -17.157 -17.157
  516    HA   ARG  32           HA       ARG  32   0.294 -18.707 -18.707
  517   1HB   ARG  32          2HB       ARG  32  -1.964 -17.220 -17.220
  518   2HB   ARG  32          1HB       ARG  32  -1.156 -18.434 -18.434
  519   1HG   ARG  32          2HG       ARG  32   0.552 -16.542 -16.542
  520   2HG   ARG  32          1HG       ARG  32  -0.249 -15.932 -15.932
  521   1HD   ARG  32          2HD       ARG  32   0.892 -17.394 -17.394
  522   2HD   ARG  32          1HD       ARG  32   1.213 -18.548 -18.548
  523    HE   ARG  32           HE       ARG  32   3.151 -17.376 -17.376
  524   1HH1  ARG  32          1HH1      ARG  32   1.031 -15.364 -15.364
  525   2HH1  ARG  32          2HH1      ARG  32   2.208 -14.110 -14.110
  526   1HH2  ARG  32          1HH2      ARG  32   4.656 -15.718 -15.718
  527   2HH2  ARG  32          2HH2      ARG  32   4.242 -14.307 -14.307
  528    H    ALA  33           H        ALA  33  -3.182 -19.324 -19.324
  529    HA   ALA  33           HA       ALA  33  -3.214 -21.762 -21.762
  530   1HB   ALA  33          3HB       ALA  33  -5.017 -20.501 -20.501
  531   2HB   ALA  33          2HB       ALA  33  -5.283 -22.178 -22.178
  532   3HB   ALA  33          1HB       ALA  33  -5.344 -20.894 -20.894
  533    H    LEU  34           H        LEU  34  -2.506 -20.976 -20.976
  534    HA   LEU  34           HA       LEU  34  -2.145 -23.832 -23.832
  535   1HB   LEU  34          2HB       LEU  34  -2.516 -21.365 -21.365
  536   2HB   LEU  34          1HB       LEU  34  -1.743 -22.788 -22.788
  537    HG   LEU  34           HG       LEU  34  -3.758 -24.107 -24.107
  538   1HD1  LEU  34          3HD1      LEU  34  -4.525 -21.274 -21.274
  539   2HD1  LEU  34          2HD1      LEU  34  -5.783 -22.339 -22.339
  540   3HD1  LEU  34          1HD1      LEU  34  -4.967 -22.737 -22.737
  541   1HD2  LEU  34          1HD2      LEU  34  -3.942 -22.112 -22.112
  542   2HD2  LEU  34          3HD2      LEU  34  -3.551 -23.830 -23.830
  543   3HD2  LEU  34          2HD2      LEU  34  -5.193 -23.318 -23.318
  544   1HN   NH2  35          1HT       LEU  34  -0.214 -22.086 -22.086
  545   2HN   NH2  35          2HT       LEU  34   1.265 -22.241 -22.241

  Start of MODEL   24
    1   1H    ACE   2          1HA       ACE   2   7.115  25.107  25.107
    2   2H    ACE   2          2HA       ACE   2   7.528  23.403  23.403
    3   3H    ACE   2          3HA       ACE   2   8.468  24.636  24.636
    4    H    CYS   3           H        CYS   3   6.846  22.285  22.285
    5    HA   CYS   3           HA       CYS   3   5.070  23.768  23.768
    6   1HB   CYS   3          2HB       CYS   3   4.778  20.933  20.933
    7   2HB   CYS   3          1HB       CYS   3   3.747  21.682  21.682
    8    H    GLY   4           H        GLY   4   4.737  22.556  22.556
    9   1HA   GLY   4          2HA       GLY   4   7.273  21.282  21.282
   10   2HA   GLY   4          1HA       GLY   4   6.414  22.453  22.453
   11    H    GLY   5           H        GLY   5   6.266  19.225  19.225
   12   1HA   GLY   5          2HA       GLY   5   5.582  17.475  17.475
   13   2HA   GLY   5          1HA       GLY   5   4.190  18.506  18.506
   14    H    VAL   6           H        VAL   6   3.767  19.287  19.287
   15    HA   VAL   6           HA       VAL   6   2.145  17.083  17.083
   16    HB   VAL   6           HB       VAL   6   2.863  19.568  19.568
   17   1HG1  VAL   6          1HG1      VAL   6   1.736  17.573  17.573
   18   2HG1  VAL   6          3HG1      VAL   6   0.351  17.886  17.886
   19   3HG1  VAL   6          2HG1      VAL   6   0.878  19.110  19.110
   20   1HG2  VAL   6          1HG2      VAL   6   0.824  19.061  19.061
   21   2HG2  VAL   6          3HG2      VAL   6   1.970  20.394  20.394
   22   3HG2  VAL   6          2HG2      VAL   6   0.576  20.316  20.316
   23    H    GLN   7           H        GLN   7   5.236  18.451  18.451
   24    HA   GLN   7           HA       GLN   7   5.537  16.914  16.914
   25   1HB   GLN   7          2HB       GLN   7   6.842  19.004  19.004
   26   2HB   GLN   7          1HB       GLN   7   7.779  17.995  17.995
   27   1HG   GLN   7          2HG       GLN   7   8.000  16.452  16.452
   28   2HG   GLN   7          1HG       GLN   7   7.710  17.979  17.979
   29   1HE2  GLN   7          2HE2      GLN   7  11.187  17.473  17.473
   30   2HE2  GLN   7          1HE2      GLN   7   9.881  16.422  16.422
   31    H    ALA   8           H        ALA   8   6.276  16.364  16.364
   32    HA   ALA   8           HA       ALA   8   7.909  14.047  14.047
   33   1HB   ALA   8          1HB       ALA   8   7.577  15.607  15.607
   34   2HB   ALA   8          3HB       ALA   8   6.345  14.408  14.408
   35   3HB   ALA   8          2HB       ALA   8   8.022  13.910  13.910
   36    H    GLU   9           H        GLU   9   4.481  14.583  14.583
   37    HA   GLU   9           HA       GLU   9   3.857  11.776  11.776
   38   1HB   GLU   9          2HB       GLU   9   2.205  14.292  14.292
   39   2HB   GLU   9          1HB       GLU   9   1.455  12.699  12.699
   40   1HG   GLU   9          2HG       GLU   9   2.960  12.206  12.206
   41   2HG   GLU   9          1HG       GLU   9   2.890  13.960  13.960
   42    H    GLU  10           H        GLU  10   3.753  14.280  14.280
   43    HA   GLU  10           HA       GLU  10   2.235  12.879  12.879
   44   1HB   GLU  10          2HB       GLU  10   2.798  15.333  15.333
   45   2HB   GLU  10          1HB       GLU  10   4.433  14.882  14.882
   46   1HG   GLU  10          2HG       GLU  10   3.087  13.420  13.420
   47   2HG   GLU  10          1HG       GLU  10   1.879  14.678  14.678
   48    H    GLN  11           H        GLN  11   5.763  13.272  13.272
   49    HA   GLN  11           HA       GLN  11   6.477  11.552  11.552
   50   1HB   GLN  11          2HB       GLN  11   7.926  13.216  13.216
   51   2HB   GLN  11          1HB       GLN  11   8.205  11.798  11.798
   52   1HG   GLN  11          2HG       GLN  11   8.749  10.593  10.593
   53   2HG   GLN  11          1HG       GLN  11   8.942  12.225  12.225
   54   1HE2  GLN  11          2HE2      GLN  11  12.284  12.058  12.058
   55   2HE2  GLN  11          1HE2      GLN  11  11.251  12.177  12.177
   56    H    LYS  12           H        LYS  12   5.655  10.950  10.950
   57    HA   LYS  12           HA       LYS  12   6.595   8.248   8.248
   58   1HB   LYS  12          2HB       LYS  12   6.039   9.818   9.818
   59   2HB   LYS  12          1HB       LYS  12   4.369   9.308   9.308
   60   1HG   LYS  12          2HG       LYS  12   5.008   6.963   6.963
   61   2HG   LYS  12          1HG       LYS  12   6.703   7.420   7.420
   62   1HD   LYS  12          2HD       LYS  12   6.278   8.582   8.582
   63   2HD   LYS  12          1HD       LYS  12   4.533   8.431   8.431
   64   1HE   LYS  12          2HE       LYS  12   4.864   6.646   6.646
   65   2HE   LYS  12          1HE       LYS  12   5.171   5.830   5.830
   66   1HZ   LYS  12          2HZ       LYS  12   7.240   7.065   7.065
   67   2HZ   LYS  12          1HZ       LYS  12   6.921   5.400   5.400
   68   3HZ   LYS  12          3HZ       LYS  12   7.525   6.243   6.243
   69    H    LEU  13           H        LEU  13   3.443   9.764   9.764
   70    HA   LEU  13           HA       LEU  13   1.917   7.403   7.403
   71   1HB   LEU  13          2HB       LEU  13   1.584  10.180  10.180
   72   2HB   LEU  13          1HB       LEU  13   0.460   8.899   8.899
   73    HG   LEU  13           HG       LEU  13   1.115   9.286   9.286
   74   1HD1  LEU  13          2HD1      LEU  13   0.415  11.497  11.497
   75   2HD1  LEU  13          1HD1      LEU  13  -1.191  10.771  10.771
   76   3HD1  LEU  13          3HD1      LEU  13  -0.299  11.105  11.105
   77   1HD2  LEU  13          3HD2      LEU  13  -0.984   8.029   8.029
   78   2HD2  LEU  13          2HD2      LEU  13  -0.309   7.491   7.491
   79   3HD2  LEU  13          1HD2      LEU  13  -1.535   8.760   8.760
   80    H    ILE  14           H        ILE  14   3.960   9.072   9.072
   81    HA   ILE  14           HA       ILE  14   3.084   7.558   7.558
   82    HB   ILE  14           HB       ILE  14   5.642   9.139   9.139
   83   1HG1  ILE  14          2HG1      ILE  14   3.186  10.125  10.125
   84   2HG1  ILE  14          1HG1      ILE  14   3.287  10.271  10.271
   85   1HG2  ILE  14          3HG2      ILE  14   4.136   8.245   8.245
   86   2HG2  ILE  14          2HG2      ILE  14   5.572   9.266   9.266
   87   3HG2  ILE  14          1HG2      ILE  14   5.677   7.596   7.596
   88   1HD1  ILE  14          2HD1      ILE  14   5.675  11.133  11.133
   89   2HD1  ILE  14          1HD1      ILE  14   4.246  12.164  12.164
   90   3HD1  ILE  14          3HD1      ILE  14   4.982  11.819  11.819
   91    H    SER  15           H        SER  15   6.122   7.593   7.593
   92    HA   SER  15           HA       SER  15   7.269   5.330   5.330
   93   1HB   SER  15          2HB       SER  15   7.705   6.205   6.205
   94   2HB   SER  15          1HB       SER  15   8.814   5.293   5.293
   95    HG   SER  15           HG       SER  15   9.220   7.074   7.074
   96    H    GLU  16           H        GLU  16   5.047   5.656   5.656
   97    HA   GLU  16           HA       GLU  16   5.216   2.989   2.989
   98   1HB   GLU  16          2HB       GLU  16   4.162   4.904   4.904
   99   2HB   GLU  16          1HB       GLU  16   2.798   4.805   4.805
  100   1HG   GLU  16          2HG       GLU  16   2.131   3.487   3.487
  101   2HG   GLU  16          1HG       GLU  16   2.683   2.311   2.311
  102    H    GLU  17           H        GLU  17   3.183   4.564   4.564
  103    HA   GLU  17           HA       GLU  17   1.449   2.396   2.396
  104   1HB   GLU  17          2HB       GLU  17   1.148   4.780   4.780
  105   2HB   GLU  17          1HB       GLU  17   2.359   4.439   4.439
  106   1HG   GLU  17          2HG       GLU  17   0.909   2.418   2.418
  107   2HG   GLU  17          1HG       GLU  17  -0.351   3.152   3.152
  108    H    ASP  18           H        ASP  18   4.477   3.403   3.403
  109    HA   ASP  18           HA       ASP  18   4.576   1.350   1.350
  110   1HB   ASP  18          2HB       ASP  18   6.059   3.503   3.503
  111   2HB   ASP  18          1HB       ASP  18   7.090   2.414   2.414
  112    H    LEU  19           H        LEU  19   5.527   1.465   1.465
  113    HA   LEU  19           HA       LEU  19   7.100  -0.871  -0.871
  114   1HB   LEU  19          2HB       LEU  19   6.787   0.877   0.877
  115   2HB   LEU  19          1HB       LEU  19   5.267   0.067   0.067
  116    HG   LEU  19           HG       LEU  19   6.740  -2.102  -2.102
  117   1HD1  LEU  19          3HD1      LEU  19   8.752  -0.856  -0.856
  118   2HD1  LEU  19          2HD1      LEU  19   8.813   0.010   0.010
  119   3HD1  LEU  19          1HD1      LEU  19   9.048  -1.737  -1.737
  120   1HD2  LEU  19          3HD2      LEU  19   6.763   0.047   0.047
  121   2HD2  LEU  19          2HD2      LEU  19   5.625  -1.291  -1.291
  122   3HD2  LEU  19          1HD2      LEU  19   7.302  -1.608  -1.608
  123    H    LEU  20           H        LEU  20   3.633  -0.352  -0.352
  124    HA   LEU  20           HA       LEU  20   2.981  -3.079  -3.079
  125   1HB   LEU  20          2HB       LEU  20   1.436  -0.644  -0.644
  126   2HB   LEU  20          1HB       LEU  20   0.666  -2.225  -2.225
  127    HG   LEU  20           HG       LEU  20   2.123  -1.551  -1.551
  128   1HD1  LEU  20          2HD1      LEU  20  -0.464  -0.357  -0.357
  129   2HD1  LEU  20          1HD1      LEU  20  -0.257  -0.725  -0.725
  130   3HD1  LEU  20          3HD1      LEU  20   0.841   0.400   0.400
  131   1HD2  LEU  20          2HD2      LEU  20  -0.017  -3.387  -3.387
  132   2HD2  LEU  20          1HD2      LEU  20   1.286  -3.685  -3.685
  133   3HD2  LEU  20          3HD2      LEU  20  -0.157  -2.809  -2.809
  134    H    ARG  21           H        ARG  21   3.566  -1.250  -1.250
  135    HA   ARG  21           HA       ARG  21   2.257  -2.875  -2.875
  136   1HB   ARG  21          2HB       ARG  21   4.840  -1.330  -1.330
  137   2HB   ARG  21          1HB       ARG  21   3.804  -1.922  -1.922
  138   1HG   ARG  21          2HG       ARG  21   2.710  -0.113  -0.113
  139   2HG   ARG  21          1HG       ARG  21   3.528   0.549   0.549
  140   1HD   ARG  21          2HD       ARG  21   1.338  -1.481  -1.481
  141   2HD   ARG  21          1HD       ARG  21   0.939   0.214   0.214
  142    HE   ARG  21           HE       ARG  21   2.873  -0.201  -0.201
  143   1HH1  ARG  21          1HH1      ARG  21  -0.534  -0.098  -0.098
  144   2HH1  ARG  21          2HH1      ARG  21  -1.017   0.282   0.282
  145   1HH2  ARG  21          1HH2      ARG  21   2.201   0.295   0.295
  146   2HH2  ARG  21          2HH2      ARG  21   0.517   0.503   0.503
  147    H    LYS  22           H        LYS  22   5.666  -2.918  -2.918
  148    HA   LYS  22           HA       LYS  22   6.298  -5.310  -5.310
  149   1HB   LYS  22          2HB       LYS  22   7.921  -3.499  -3.499
  150   2HB   LYS  22          1HB       LYS  22   7.804  -4.317  -4.317
  151   1HG   LYS  22          2HG       LYS  22   9.551  -5.536  -5.536
  152   2HG   LYS  22          1HG       LYS  22   8.242  -6.457  -6.457
  153   1HD   LYS  22          2HD       LYS  22   8.413  -4.803  -4.803
  154   2HD   LYS  22          1HD       LYS  22   9.951  -4.306  -4.306
  155   1HE   LYS  22          2HE       LYS  22  10.679  -5.989  -5.989
  156   2HE   LYS  22          1HE       LYS  22  10.397  -6.919  -6.919
  157   1HZ   LYS  22          1HZ       LYS  22   8.357  -6.545  -6.545
  158   2HZ   LYS  22          3HZ       LYS  22   9.398  -7.882  -7.882
  159   3HZ   LYS  22          2HZ       LYS  22   8.286  -7.606  -7.606
  160    H    ARG  23           H        ARG  23   5.204  -4.589  -4.589
  161    HA   ARG  23           HA       ARG  23   5.694  -7.118  -7.118
  162   1HB   ARG  23          2HB       ARG  23   5.007  -4.899  -4.899
  163   2HB   ARG  23          1HB       ARG  23   3.355  -5.385  -5.385
  164   1HG   ARG  23          2HG       ARG  23   3.911  -7.626  -7.626
  165   2HG   ARG  23          1HG       ARG  23   5.365  -6.843  -6.843
  166   1HD   ARG  23          2HD       ARG  23   4.114  -5.270  -5.270
  167   2HD   ARG  23          1HD       ARG  23   2.627  -5.635  -5.635
  168    HE   ARG  23           HE       ARG  23   2.288  -7.428  -7.428
  169   1HH1  ARG  23          1HH1      ARG  23   5.609  -6.348  -6.348
  170   2HH1  ARG  23          2HH1      ARG  23   5.967  -7.376  -7.376
  171   1HH2  ARG  23          1HH2      ARG  23   2.797  -8.752  -8.752
  172   2HH2  ARG  23          2HH2      ARG  23   4.389  -8.726  -8.726
  173    H    ARG  24           H        ARG  24   2.849  -5.773  -5.773
  174    HA   ARG  24           HA       ARG  24   1.152  -8.001  -8.001
  175   1HB   ARG  24          2HB       ARG  24   0.519  -5.662  -5.662
  176   2HB   ARG  24          1HB       ARG  24   1.094  -6.185  -6.185
  177   1HG   ARG  24          2HG       ARG  24  -0.654  -7.636  -7.636
  178   2HG   ARG  24          1HG       ARG  24  -0.761  -8.036  -8.036
  179   1HD   ARG  24          2HD       ARG  24  -2.657  -6.758  -6.758
  180   2HD   ARG  24          1HD       ARG  24  -1.501  -5.459  -5.459
  181    HE   ARG  24           HE       ARG  24  -1.859  -4.740  -4.740
  182   1HH1  ARG  24          1HH1      ARG  24  -3.090  -7.995  -7.995
  183   2HH1  ARG  24          2HH1      ARG  24  -3.841  -8.014  -8.014
  184   1HH2  ARG  24          1HH2      ARG  24  -2.852  -4.806  -4.806
  185   2HH2  ARG  24          2HH2      ARG  24  -3.708  -6.225  -6.225
  186    H    GLU  25           H        GLU  25   3.646  -7.265  -7.265
  187    HA   GLU  25           HA       GLU  25   3.008  -9.308  -9.308
  188   1HB   GLU  25          2HB       GLU  25   5.525  -7.763  -7.763
  189   2HB   GLU  25          1HB       GLU  25   5.491  -9.037  -9.037
  190   1HG   GLU  25          2HG       GLU  25   3.314  -7.717  -7.717
  191   2HG   GLU  25          1HG       GLU  25   4.140  -6.372  -6.372
  192    H    GLN  26           H        GLN  26   5.199  -9.171  -9.171
  193    HA   GLN  26           HA       GLN  26   6.279 -11.778 -11.778
  194   1HB   GLN  26          2HB       GLN  26   6.117  -9.844  -9.844
  195   2HB   GLN  26          1HB       GLN  26   6.712 -11.485 -11.485
  196   1HG   GLN  26          2HG       GLN  26   8.562 -11.178 -11.178
  197   2HG   GLN  26          1HG       GLN  26   7.807  -9.840  -9.840
  198   1HE2  GLN  26          2HE2      GLN  26  10.016  -9.084  -9.084
  199   2HE2  GLN  26          1HE2      GLN  26   9.865 -10.651 -10.651
  200    H    LEU  27           H        LEU  27   3.413 -10.520 -10.520
  201    HA   LEU  27           HA       LEU  27   2.737 -12.792 -12.792
  202   1HB   LEU  27          2HB       LEU  27   1.125 -10.530 -10.530
  203   2HB   LEU  27          1HB       LEU  27   0.346 -11.855 -11.855
  204    HG   LEU  27           HG       LEU  27   2.655 -10.280 -10.280
  205   1HD1  LEU  27          1HD1      LEU  27  -0.328  -9.811  -9.811
  206   2HD1  LEU  27          3HD1      LEU  27   0.789  -9.203  -9.203
  207   3HD1  LEU  27          2HD1      LEU  27   0.929  -8.658  -8.658
  208   1HD2  LEU  27          3HD2      LEU  27   0.607 -12.230 -12.230
  209   2HD2  LEU  27          2HD2      LEU  27   2.363 -12.393 -12.393
  210   3HD2  LEU  27          1HD2      LEU  27   1.586 -11.203 -11.203
  211    H    LYS  28           H        LYS  28   2.132 -11.918 -11.918
  212    HA   LYS  28           HA       LYS  28   0.320 -14.057 -14.057
  213   1HB   LYS  28          2HB       LYS  28   0.905 -11.832 -11.832
  214   2HB   LYS  28          1HB       LYS  28   2.019 -12.923 -12.923
  215   1HG   LYS  28          2HG       LYS  28   0.111 -13.243 -13.243
  216   2HG   LYS  28          1HG       LYS  28  -0.102 -14.510 -14.510
  217   1HD   LYS  28          2HD       LYS  28  -2.190 -13.422 -13.422
  218   2HD   LYS  28          1HD       LYS  28  -1.356 -12.685 -12.685
  219   1HE   LYS  28          2HE       LYS  28  -2.229 -10.838 -10.838
  220   2HE   LYS  28          1HE       LYS  28  -0.547 -10.913 -10.913
  221   1HZ   LYS  28          1HZ       LYS  28  -2.828 -12.138 -12.138
  222   2HZ   LYS  28          3HZ       LYS  28  -2.122 -10.648 -10.648
  223   3HZ   LYS  28          2HZ       LYS  28  -1.211 -12.077 -12.077
  224    H    HIS  29           H        HIS  29   3.803 -13.680 -13.680
  225    HA   HIS  29           HA       HIS  29   4.440 -15.986 -15.986
  226   1HB   HIS  29          2HB       HIS  29   5.940 -14.349 -14.349
  227   2HB   HIS  29          1HB       HIS  29   6.633 -15.837 -15.837
  228    HD1  HIS  29           HD1      HIS  29   6.298 -15.886 -15.886
  229    HD2  HIS  29           HD2      HIS  29   6.687 -12.211 -12.211
  230    HE1  HIS  29           HE1      HIS  29   7.012 -14.221 -14.221
  231    H    LYS  30           H        LYS  30   4.162 -15.463 -15.463
  232    HA   LYS  30           HA       LYS  30   4.800 -18.097 -18.097
  233   1HB   LYS  30          2HB       LYS  30   3.415 -15.782 -15.782
  234   2HB   LYS  30          1HB       LYS  30   3.231 -17.371 -17.371
  235   1HG   LYS  30          2HG       LYS  30   5.159 -16.363 -16.363
  236   2HG   LYS  30          1HG       LYS  30   5.761 -17.586 -17.586
  237   1HD   LYS  30          2HD       LYS  30   6.221 -15.897 -15.897
  238   2HD   LYS  30          1HD       LYS  30   5.482 -14.647 -14.647
  239   1HE   LYS  30          2HE       LYS  30   7.282 -14.525 -14.525
  240   2HE   LYS  30          1HE       LYS  30   7.669 -16.237 -16.237
  241   1HZ   LYS  30          1HZ       LYS  30   8.443 -15.734 -15.734
  242   2HZ   LYS  30          3HZ       LYS  30   8.202 -14.083 -14.083
  243   3HZ   LYS  30          2HZ       LYS  30   9.353 -14.951 -14.951
  244    H    LEU  31           H        LEU  31   1.711 -16.535 -16.535
  245    HA   LEU  31           HA       LEU  31   0.027 -18.695 -18.695
  246   1HB   LEU  31          2HB       LEU  31  -0.253 -16.319 -16.319
  247   2HB   LEU  31          1HB       LEU  31  -1.490 -17.576 -17.576
  248    HG   LEU  31           HG       LEU  31  -0.513 -16.334 -16.334
  249   1HD1  LEU  31          1HD1      LEU  31  -2.617 -15.348 -15.348
  250   2HD1  LEU  31          3HD1      LEU  31  -2.686 -14.963 -14.963
  251   3HD1  LEU  31          2HD1      LEU  31  -1.310 -14.435 -14.435
  252   1HD2  LEU  31          2HD2      LEU  31  -2.732 -18.121 -18.121
  253   2HD2  LEU  31          1HD2      LEU  31  -1.779 -18.177 -18.177
  254   3HD2  LEU  31          3HD2      LEU  31  -3.077 -16.995 -16.995
  255    H    GLU  32           H        GLU  32   1.882 -17.952 -17.952
  256    HA   GLU  32           HA       GLU  32   0.664 -20.013 -20.013
  257   1HB   GLU  32          2HB       GLU  32   1.830 -17.878 -17.878
  258   2HB   GLU  32          1HB       GLU  32   3.340 -18.735 -18.735
  259   1HG   GLU  32          2HG       GLU  32   2.932 -19.315 -19.315
  260   2HG   GLU  32          1HG       GLU  32   2.190 -20.667 -20.667
  261    H    GLN  33           H        GLN  33   3.710 -19.618 -19.618
  262    HA   GLN  33           HA       GLN  33   4.742 -22.194 -22.194
  263   1HB   GLN  33          2HB       GLN  33   5.477 -20.164 -20.164
  264   2HB   GLN  33          1HB       GLN  33   6.280 -21.731 -21.731
  265   1HG   GLN  33          2HG       GLN  33   6.996 -21.287 -21.287
  266   2HG   GLN  33          1HG       GLN  33   6.061 -19.791 -19.791
  267   1HE2  GLN  33          2HE2      GLN  33   9.795 -19.592 -19.592
  268   2HE2  GLN  33          1HE2      GLN  33   9.176 -20.839 -20.839
  269    H    LEU  34           H        LEU  34   3.764 -20.959 -20.959
  270    HA   LEU  34           HA       LEU  34   3.487 -23.548 -23.548
  271   1HB   LEU  34          2HB       LEU  34   2.507 -20.821 -20.821
  272   2HB   LEU  34          1HB       LEU  34   2.205 -22.279 -22.279
  273    HG   LEU  34           HG       LEU  34   4.969 -21.407 -21.407
  274   1HD1  LEU  34          2HD1      LEU  34   3.562 -19.913 -19.913
  275   2HD1  LEU  34          1HD1      LEU  34   4.005 -21.184 -21.184
  276   3HD1  LEU  34          3HD1      LEU  34   5.262 -20.266 -20.266
  277   1HD2  LEU  34          2HD2      LEU  34   3.807 -23.640 -23.640
  278   2HD2  LEU  34          1HD2      LEU  34   5.220 -23.632 -23.632
  279   3HD2  LEU  34          3HD2      LEU  34   5.327 -22.952 -22.952
  280   1HN   NH2  35          1HT       LEU  34   0.988 -21.218 -21.218
  281   2HN   NH2  35          2HT       LEU  34  -0.236 -22.385 -22.385
  282   1H    ACE   2          1HA       ACE   2   5.886  23.996  23.996
  283   2H    ACE   2          2HA       ACE   2   5.415  24.587  24.587
  284   3H    ACE   2          3HA       ACE   2   4.336  24.810  24.810
  285    H    CYS   3           H        CYS   3   2.754  23.741  23.741
  286    HA   CYS   3           HA       CYS   3   3.064  20.797  20.797
  287   1HB   CYS   3          2HB       CYS   3   1.640  22.634  22.634
  288   2HB   CYS   3          1HB       CYS   3   1.251  20.917  20.917
  289    H    GLY   4           H        GLY   4   0.504  23.287  23.287
  290   1HA   GLY   4          2HA       GLY   4  -1.203  23.567  23.567
  291   2HA   GLY   4          1HA       GLY   4  -0.765  22.015  22.015
  292    H    GLY   5           H        GLY   5  -2.192  20.447  20.447
  293   1HA   GLY   5          2HA       GLY   5  -4.355  20.736  20.736
  294   2HA   GLY   5          1HA       GLY   5  -4.128  19.409  19.409
  295    H    MET   6           H        MET   6  -3.572  20.561  20.561
  296    HA   MET   6           HA       MET   6  -1.717  18.545  18.545
  297   1HB   MET   6          2HB       MET   6  -3.599  20.296  20.296
  298   2HB   MET   6          1HB       MET   6  -2.364  19.251  19.251
  299   1HG   MET   6          2HG       MET   6  -0.597  20.503  20.503
  300   2HG   MET   6          1HG       MET   6  -1.664  21.297  21.297
  301   1HE   MET   6          3HE       MET   6  -1.493  23.539  23.539
  302   2HE   MET   6          2HE       MET   6  -3.208  23.370  23.370
  303   3HE   MET   6          1HE       MET   6  -2.232  24.521  24.521
  304    H    ARG   7           H        ARG   7  -5.122  19.020  19.020
  305    HA   ARG   7           HA       ARG   7  -5.396  16.312  16.312
  306   1HB   ARG   7          2HB       ARG   7  -7.202  18.670  18.670
  307   2HB   ARG   7          1HB       ARG   7  -7.942  17.073  17.073
  308   1HG   ARG   7          2HG       ARG   7  -6.306  16.741  16.741
  309   2HG   ARG   7          1HG       ARG   7  -6.210  18.502  18.502
  310   1HD   ARG   7          2HD       ARG   7  -8.393  18.767  18.767
  311   2HD   ARG   7          1HD       ARG   7  -8.929  17.305  17.305
  312    HE   ARG   7           HE       ARG   7  -7.221  16.738  16.738
  313   1HH1  ARG   7          1HH1      ARG   7 -10.499  17.516  17.516
  314   2HH1  ARG   7          2HH1      ARG   7 -11.200  16.772  16.772
  315   1HH2  ARG   7          1HH2      ARG   7  -8.177  15.778  15.778
  316   2HH2  ARG   7          2HH2      ARG   7  -9.900  15.795  15.795
  317    H    ARG   8           H        ARG   8  -6.105  18.049  18.049
  318    HA   ARG   8           HA       ARG   8  -7.806  16.164  16.164
  319   1HB   ARG   8          2HB       ARG   8  -7.114  18.588  18.588
  320   2HB   ARG   8          1HB       ARG   8  -5.834  17.744  17.744
  321   1HG   ARG   8          2HG       ARG   8  -7.494  16.353  16.353
  322   2HG   ARG   8          1HG       ARG   8  -8.794  17.130  17.130
  323   1HD   ARG   8          2HD       ARG   8  -8.691  18.200  18.200
  324   2HD   ARG   8          1HD       ARG   8  -8.040  19.331  19.331
  325    HE   ARG   8           HE       ARG   8  -5.971  19.154  19.154
  326   1HH1  ARG   8          1HH1      ARG   8  -8.053  16.545  16.545
  327   2HH1  ARG   8          2HH1      ARG   8  -6.951  16.012  16.012
  328   1HH2  ARG   8          1HH2      ARG   8  -4.564  18.424  18.424
  329   2HH2  ARG   8          2HH2      ARG   8  -4.992  17.064  17.064
  330    H    LYS   9           H        LYS   9  -4.315  16.689  16.689
  331    HA   LYS   9           HA       LYS   9  -3.939  14.326  14.326
  332   1HB   LYS   9          2HB       LYS   9  -2.377  16.302  16.302
  333   2HB   LYS   9          1HB       LYS   9  -1.839  15.760  15.760
  334   1HG   LYS   9          2HG       LYS   9  -0.722  13.942  13.942
  335   2HG   LYS   9          1HG       LYS   9  -1.872  13.719  13.719
  336   1HD   LYS   9          2HD       LYS   9  -0.020  14.512  14.512
  337   2HD   LYS   9          1HD       LYS   9  -0.885  16.016  16.016
  338   1HE   LYS   9          2HE       LYS   9   0.519  16.498  16.498
  339   2HE   LYS   9          1HE       LYS   9   1.286  14.912  14.912
  340   1HZ   LYS   9          3HZ       LYS   9   2.033  15.574  15.574
  341   2HZ   LYS   9          2HZ       LYS   9   1.486  17.147  17.147
  342   3HZ   LYS   9          1HZ       LYS   9   2.736  16.466  16.466
  343    H    ASN  10           H        ASN  10  -3.801  15.026  15.026
  344    HA   ASN  10           HA       ASN  10  -2.567  12.573  12.573
  345   1HB   ASN  10          2HB       ASN  10  -4.122  14.706  14.706
  346   2HB   ASN  10          1HB       ASN  10  -3.716  13.197  13.197
  347   1HD2  ASN  10          2HD2      ASN  10  -0.939  15.757  15.757
  348   2HD2  ASN  10          1HD2      ASN  10  -2.615  15.858  15.858
  349    H    ASP  11           H        ASP  11  -5.873  13.613  13.613
  350    HA   ASP  11           HA       ASP  11  -7.206  11.439  11.439
  351   1HB   ASP  11          2HB       ASP  11  -7.920  13.479  13.479
  352   2HB   ASP  11          1HB       ASP  11  -8.957  12.061  12.061
  353    H    THR  12           H        THR  12  -6.324  12.000  12.000
  354    HA   THR  12           HA       THR  12  -7.191   9.495   9.495
  355    HB   THR  12           HB       THR  12  -6.722  11.335  11.335
  356    HG1  THR  12           HG1      THR  12  -6.304   9.791   9.791
  357   1HG2  THR  12          1HG2      THR  12  -3.860  10.994  10.994
  358   2HG2  THR  12          3HG2      THR  12  -4.351  11.984  11.984
  359   3HG2  THR  12          2HG2      THR  12  -4.885  12.405  12.405
  360    H    HIS  13           H        HIS  13  -4.203  10.545  10.545
  361    HA   HIS  13           HA       HIS  13  -2.587   8.327   8.327
  362   1HB   HIS  13          2HB       HIS  13  -2.535  10.409  10.409
  363   2HB   HIS  13          1HB       HIS  13  -1.487   9.000   9.000
  364    HD1  HIS  13           HD1      HIS  13  -0.512   8.496   8.496
  365    HD2  HIS  13           HD2      HIS  13  -0.944  12.364  12.364
  366    HE1  HIS  13           HE1      HIS  13   0.990   9.976   9.976
  367    H    GLN  14           H        GLN  14  -4.745   8.954   8.954
  368    HA   GLN  14           HA       GLN  14  -4.179   6.542   6.542
  369   1HB   GLN  14          2HB       GLN  14  -5.445   8.753   8.753
  370   2HB   GLN  14          1HB       GLN  14  -6.861   7.836   7.836
  371   1HG   GLN  14          2HG       GLN  14  -6.644   6.289   6.289
  372   2HG   GLN  14          1HG       GLN  14  -4.884   6.392   6.392
  373   1HE2  GLN  14          2HE2      GLN  14  -5.038   8.388   8.388
  374   2HE2  GLN  14          1HE2      GLN  14  -4.334   7.067   7.067
  375    H    GLN  15           H        GLN  15  -6.426   7.414   7.414
  376    HA   GLN  15           HA       GLN  15  -8.143   5.181   5.181
  377   1HB   GLN  15          2HB       GLN  15  -8.305   7.359   7.359
  378   2HB   GLN  15          1HB       GLN  15  -7.397   6.418   6.418
  379   1HG   GLN  15          2HG       GLN  15  -9.099   4.663   4.663
  380   2HG   GLN  15          1HG       GLN  15  -9.990   5.524   5.524
  381   1HE2  GLN  15          2HE2      GLN  15 -11.048   6.357   6.357
  382   2HE2  GLN  15          1HE2      GLN  15 -10.498   4.869   4.869
  383    H    ASP  16           H        ASP  16  -5.310   5.747   5.747
  384    HA   ASP  16           HA       ASP  16  -5.259   3.165   3.165
  385   1HB   ASP  16          2HB       ASP  16  -3.927   5.389   5.389
  386   2HB   ASP  16          1HB       ASP  16  -2.701   4.642   4.642
  387    H    ILE  17           H        ILE  17  -3.750   4.525   4.525
  388    HA   ILE  17           HA       ILE  17  -2.117   2.322   2.322
  389    HB   ILE  17           HB       ILE  17  -3.326   4.603   4.603
  390   1HG1  ILE  17          2HG1      ILE  17  -1.375   5.029   5.029
  391   2HG1  ILE  17          1HG1      ILE  17  -0.962   5.242   5.242
  392   1HG2  ILE  17          1HG2      ILE  17  -2.096   2.117   2.117
  393   2HG2  ILE  17          3HG2      ILE  17  -1.619   3.654   3.654
  394   3HG2  ILE  17          2HG2      ILE  17  -3.318   3.179   3.179
  395   1HD1  ILE  17          1HD1      ILE  17  -0.185   2.772   2.772
  396   2HD1  ILE  17          3HD1      ILE  17  -0.234   2.959   2.959
  397   3HD1  ILE  17          2HD1      ILE  17   0.836   3.975   3.975
  398    H    ASP  18           H        ASP  18  -5.002   3.305   3.305
  399    HA   ASP  18           HA       ASP  18  -5.481   1.024   1.024
  400   1HB   ASP  18          2HB       ASP  18  -7.163   3.260   3.260
  401   2HB   ASP  18          1HB       ASP  18  -8.052   1.802   1.802
  402    H    ASP  19           H        ASP  19  -6.174   1.575   1.575
  403    HA   ASP  19           HA       ASP  19  -7.885  -0.709  -0.709
  404   1HB   ASP  19          2HB       ASP  19  -7.798   1.321   1.321
  405   2HB   ASP  19          1HB       ASP  19  -6.281   0.676   0.676
  406    H    LEU  20           H        LEU  20  -4.446  -0.034  -0.034
  407    HA   LEU  20           HA       LEU  20  -3.764  -2.523  -2.523
  408   1HB   LEU  20          2HB       LEU  20  -2.152  -0.456  -0.456
  409   2HB   LEU  20          1HB       LEU  20  -1.429  -1.929  -1.929
  410    HG   LEU  20           HG       LEU  20  -3.104  -0.109  -0.109
  411   1HD1  LEU  20          2HD1      LEU  20  -0.112   0.024   0.024
  412   2HD1  LEU  20          1HD1      LEU  20  -0.990   0.929   0.929
  413   3HD1  LEU  20          3HD1      LEU  20  -1.286   1.251   1.251
  414   1HD2  LEU  20          3HD2      LEU  20  -2.478  -2.504  -2.504
  415   2HD2  LEU  20          2HD2      LEU  20  -2.019  -1.249  -1.249
  416   3HD2  LEU  20          1HD2      LEU  20  -0.807  -1.944  -1.944
  417    H    LYS  21           H        LYS  21  -3.690  -1.339  -1.339
  418    HA   LYS  21           HA       LYS  21  -2.582  -3.647  -3.647
  419   1HB   LYS  21          2HB       LYS  21  -4.328  -1.432  -1.432
  420   2HB   LYS  21          1HB       LYS  21  -3.846  -2.785  -2.785
  421   1HG   LYS  21          2HG       LYS  21  -1.442  -2.291  -2.291
  422   2HG   LYS  21          1HG       LYS  21  -2.060  -0.774  -0.774
  423   1HD   LYS  21          2HD       LYS  21  -2.460   0.118   0.118
  424   2HD   LYS  21          1HD       LYS  21  -2.860  -1.448  -1.448
  425   1HE   LYS  21          2HE       LYS  21  -0.799  -1.035  -1.035
  426   2HE   LYS  21          1HE       LYS  21  -0.303  -1.952  -1.952
  427   1HZ   LYS  21          2HZ       LYS  21  -0.443   1.012   1.012
  428   2HZ   LYS  21          1HZ       LYS  21   0.980   0.114   0.114
  429   3HZ   LYS  21          3HZ       LYS  21   0.190   0.065   0.065
  430    H    ARG  22           H        ARG  22  -5.875  -2.795  -2.795
  431    HA   ARG  22           HA       ARG  22  -7.221  -4.847  -4.847
  432   1HB   ARG  22          2HB       ARG  22  -8.189  -2.791  -2.791
  433   2HB   ARG  22          1HB       ARG  22  -8.148  -3.846  -3.846
  434   1HG   ARG  22          2HG       ARG  22  -9.413  -5.563  -5.563
  435   2HG   ARG  22          1HG       ARG  22  -9.639  -4.301  -4.301
  436   1HD   ARG  22          2HD       ARG  22 -10.744  -2.878  -2.878
  437   2HD   ARG  22          1HD       ARG  22 -10.512  -4.130  -4.130
  438    HE   ARG  22           HE       ARG  22 -12.352  -5.224  -5.224
  439   1HH1  ARG  22          1HH1      ARG  22 -11.103  -2.987  -2.987
  440   2HH1  ARG  22          2HH1      ARG  22 -12.401  -3.269  -3.269
  441   1HH2  ARG  22          1HH2      ARG  22 -14.026  -5.561  -5.561
  442   2HH2  ARG  22          2HH2      ARG  22 -14.043  -4.713  -4.713
  443    H    GLN  23           H        GLN  23  -5.828  -4.713  -4.713
  444    HA   GLN  23           HA       GLN  23  -6.673  -7.327  -7.327
  445   1HB   GLN  23          2HB       GLN  23  -4.716  -5.325  -5.325
  446   2HB   GLN  23          1HB       GLN  23  -4.640  -6.985  -6.985
  447   1HG   GLN  23          2HG       GLN  23  -7.197  -5.365  -5.365
  448   2HG   GLN  23          1HG       GLN  23  -6.133  -5.444  -5.444
  449   1HE2  GLN  23          2HE2      GLN  23  -6.755  -9.089  -9.089
  450   2HE2  GLN  23          1HE2      GLN  23  -5.392  -8.087  -8.087
  451    H    ASN  24           H        ASN  24  -3.621  -6.018  -6.018
  452    HA   ASN  24           HA       ASN  24  -2.226  -8.499  -8.499
  453   1HB   ASN  24          2HB       ASN  24  -1.790  -5.840  -5.840
  454   2HB   ASN  24          1HB       ASN  24  -0.809  -7.223  -7.223
  455   1HD2  ASN  24          2HD2      ASN  24   1.125  -5.757  -5.757
  456   2HD2  ASN  24          1HD2      ASN  24   0.794  -5.467  -5.467
  457    H    ALA  25           H        ALA  25  -4.327  -6.895  -6.895
  458    HA   ALA  25           HA       ALA  25  -3.711  -8.403  -8.403
  459   1HB   ALA  25          3HB       ALA  25  -5.084  -6.357  -6.357
  460   2HB   ALA  25          2HB       ALA  25  -6.371  -7.193  -7.193
  461   3HB   ALA  25          1HB       ALA  25  -5.921  -7.716  -7.716
  462    H    LEU  26           H        LEU  26  -6.049  -8.944  -8.944
  463    HA   LEU  26           HA       LEU  26  -7.164 -11.321 -11.321
  464   1HB   LEU  26          2HB       LEU  26  -8.256  -9.875  -9.875
  465   2HB   LEU  26          1HB       LEU  26  -7.119 -10.562 -10.562
  466    HG   LEU  26           HG       LEU  26  -7.928 -12.861 -12.861
  467   1HD1  LEU  26          1HD1      LEU  26  -9.152 -11.495 -11.495
  468   2HD1  LEU  26          3HD1      LEU  26 -10.465 -11.501 -11.501
  469   3HD1  LEU  26          2HD1      LEU  26  -9.785 -13.025 -13.025
  470   1HD2  LEU  26          2HD2      LEU  26  -8.564 -11.699 -11.699
  471   2HD2  LEU  26          1HD2      LEU  26  -9.751 -12.857 -12.857
  472   3HD2  LEU  26          3HD2      LEU  26 -10.017 -11.128 -11.128
  473    H    LEU  27           H        LEU  27  -4.626 -10.669 -10.669
  474    HA   LEU  27           HA       LEU  27  -4.127 -13.373 -13.373
  475   1HB   LEU  27          2HB       LEU  27  -2.232 -11.012 -11.012
  476   2HB   LEU  27          1HB       LEU  27  -2.005 -12.546 -12.546
  477    HG   LEU  27           HG       LEU  27  -4.508 -10.925 -10.925
  478   1HD1  LEU  27          1HD1      LEU  27  -2.432  -9.517  -9.517
  479   2HD1  LEU  27          3HD1      LEU  27  -1.990 -10.680 -10.680
  480   3HD1  LEU  27          2HD1      LEU  27  -3.475  -9.742  -9.742
  481   1HD2  LEU  27          3HD2      LEU  27  -2.950 -12.912 -12.912
  482   2HD2  LEU  27          2HD2      LEU  27  -4.451 -13.244 -13.244
  483   3HD2  LEU  27          1HD2      LEU  27  -4.446 -12.118 -12.118
  484    H    GLU  28           H        GLU  28  -2.376 -11.170 -11.170
  485    HA   GLU  28           HA       GLU  28  -0.530 -13.038 -13.038
  486   1HB   GLU  28          2HB       GLU  28  -0.410 -10.560 -10.560
  487   2HB   GLU  28          1HB       GLU  28  -1.716 -10.703 -10.703
  488   1HG   GLU  28          2HG       GLU  28   0.010 -10.940 -10.940
  489   2HG   GLU  28          1HG       GLU  28  -0.038 -12.616 -12.616
  490    H    GLN  29           H        GLN  29  -3.739 -12.111 -12.111
  491    HA   GLN  29           HA       GLN  29  -3.811 -13.595 -13.595
  492   1HB   GLN  29          2HB       GLN  29  -5.906 -12.662 -12.662
  493   2HB   GLN  29          1HB       GLN  29  -6.363 -13.788 -13.788
  494   1HG   GLN  29          2HG       GLN  29  -4.707 -11.392 -11.392
  495   2HG   GLN  29          1HG       GLN  29  -6.438 -11.180 -11.180
  496   1HE2  GLN  29          2HE2      GLN  29  -5.515 -12.282 -12.282
  497   2HE2  GLN  29          1HE2      GLN  29  -4.686 -11.211 -11.211
  498    H    GLN  30           H        GLN  30  -4.214 -14.626 -14.626
  499    HA   GLN  30           HA       GLN  30  -5.073 -17.304 -17.304
  500   1HB   GLN  30          2HB       GLN  30  -4.674 -15.823 -15.823
  501   2HB   GLN  30          1HB       GLN  30  -4.555 -17.583 -17.583
  502   1HG   GLN  30          2HG       GLN  30  -6.855 -16.369 -16.369
  503   2HG   GLN  30          1HG       GLN  30  -6.902 -16.357 -16.357
  504   1HE2  GLN  30          2HE2      GLN  30  -7.462 -19.839 -19.839
  505   2HE2  GLN  30          1HE2      GLN  30  -7.165 -18.387 -18.387
  506    H    VAL  31           H        VAL  31  -2.175 -15.621 -15.621
  507    HA   VAL  31           HA       VAL  31  -0.586 -17.952 -17.952
  508    HB   VAL  31           HB       VAL  31   0.319 -15.145 -15.145
  509   1HG1  VAL  31          2HG1      VAL  31   1.673 -17.628 -17.628
  510   2HG1  VAL  31          1HG1      VAL  31   2.241 -16.071 -16.071
  511   3HG1  VAL  31          3HG1      VAL  31   2.257 -16.404 -16.404
  512   1HG2  VAL  31          2HG2      VAL  31  -1.228 -15.868 -15.868
  513   2HG2  VAL  31          1HG2      VAL  31  -0.111 -14.506 -14.506
  514   3HG2  VAL  31          3HG2      VAL  31   0.400 -16.057 -16.057
  515    H    ARG  32           H        ARG  32  -1.301 -15.948 -15.948
  516    HA   ARG  32           HA       ARG  32   0.744 -16.844 -16.844
  517   1HB   ARG  32          2HB       ARG  32  -1.139 -14.964 -14.964
  518   2HB   ARG  32          1HB       ARG  32  -1.942 -16.257 -16.257
  519   1HG   ARG  32          2HG       ARG  32  -0.703 -15.418 -15.418
  520   2HG   ARG  32          1HG       ARG  32   0.533 -16.475 -16.475
  521   1HD   ARG  32          2HD       ARG  32   1.113 -14.421 -14.421
  522   2HD   ARG  32          1HD       ARG  32   0.231 -13.495 -13.495
  523    HE   ARG  32           HE       ARG  32   2.852 -14.619 -14.619
  524   1HH1  ARG  32          1HH1      ARG  32  -0.079 -13.836 -13.836
  525   2HH1  ARG  32          2HH1      ARG  32   0.733 -13.664 -13.664
  526   1HH2  ARG  32          1HH2      ARG  32   3.873 -14.385 -14.385
  527   2HH2  ARG  32          2HH2      ARG  32   2.953 -13.972 -13.972
  528    H    ALA  33           H        ALA  33  -2.523 -18.067 -18.067
  529    HA   ALA  33           HA       ALA  33  -2.524 -20.103 -20.103
  530   1HB   ALA  33          1HB       ALA  33  -4.495 -19.216 -19.216
  531   2HB   ALA  33          3HB       ALA  33  -3.945 -20.350 -20.350
  532   3HB   ALA  33          2HB       ALA  33  -4.450 -20.944 -20.944
  533    H    LEU  34           H        LEU  34  -2.013 -20.385 -20.385
  534    HA   LEU  34           HA       LEU  34  -1.137 -23.069 -23.069
  535   1HB   LEU  34          2HB       LEU  34  -0.997 -20.841 -20.841
  536   2HB   LEU  34          1HB       LEU  34   0.040 -22.241 -22.241
  537    HG   LEU  34           HG       LEU  34  -2.124 -22.502 -22.502
  538   1HD1  LEU  34          2HD1      LEU  34  -0.815 -24.397 -24.397
  539   2HD1  LEU  34          1HD1      LEU  34  -2.346 -24.447 -24.447
  540   3HD1  LEU  34          3HD1      LEU  34  -2.315 -24.735 -24.735
  541   1HD2  LEU  34          2HD2      LEU  34  -3.271 -22.305 -22.305
  542   2HD2  LEU  34          1HD2      LEU  34  -3.543 -21.174 -21.174
  543   3HD2  LEU  34          3HD2      LEU  34  -4.184 -22.815 -22.815
  544   1HN   NH2  35          1HT       LEU  34   0.490 -23.233 -23.233
  545   2HN   NH2  35          2HT       LEU  34   2.056 -22.616 -22.616

  Start of MODEL   25
    1   1H    ACE   2          1HA       ACE   2   5.145  19.521  19.521
    2   2H    ACE   2          2HA       ACE   2   3.827  20.422  20.422
    3   3H    ACE   2          3HA       ACE   2   4.767  19.276  19.276
    4    H    CYS   3           H        CYS   3   4.631  21.629  21.629
    5    HA   CYS   3           HA       CYS   3   7.258  22.871  22.871
    6   1HB   CYS   3          2HB       CYS   3   4.666  24.305  24.305
    7   2HB   CYS   3          1HB       CYS   3   6.256  25.070  25.070
    8    H    GLY   4           H        GLY   4   6.481  20.820  20.820
    9   1HA   GLY   4          2HA       GLY   4   7.683  20.715  20.715
   10   2HA   GLY   4          1HA       GLY   4   6.997  22.296  22.296
   11    H    GLY   5           H        GLY   5   6.655  19.001  19.001
   12   1HA   GLY   5          2HA       GLY   5   5.105  17.994  17.994
   13   2HA   GLY   5          1HA       GLY   5   4.029  19.370  19.370
   14    H    VAL   6           H        VAL   6   3.581  19.577  19.577
   15    HA   VAL   6           HA       VAL   6   1.966  17.261  17.261
   16    HB   VAL   6           HB       VAL   6   2.509  19.663  19.663
   17   1HG1  VAL   6          2HG1      VAL   6   0.548  17.391  17.391
   18   2HG1  VAL   6          1HG1      VAL   6   0.044  18.956  18.956
   19   3HG1  VAL   6          3HG1      VAL   6   1.416  18.110  18.110
   20   1HG2  VAL   6          3HG2      VAL   6   1.647  20.182  20.182
   21   2HG2  VAL   6          2HG2      VAL   6   0.614  20.723  20.723
   22   3HG2  VAL   6          1HG2      VAL   6   0.202  19.264  19.264
   23    H    GLN   7           H        GLN   7   4.995  18.632  18.632
   24    HA   GLN   7           HA       GLN   7   5.307  17.112  17.112
   25   1HB   GLN   7          2HB       GLN   7   6.716  19.119  19.119
   26   2HB   GLN   7          1HB       GLN   7   7.684  17.816  17.816
   27   1HG   GLN   7          2HG       GLN   7   6.924  17.607  17.607
   28   2HG   GLN   7          1HG       GLN   7   8.184  18.760  18.760
   29   1HE2  GLN   7          2HE2      GLN   7   9.600  15.265  15.265
   30   2HE2  GLN   7          1HE2      GLN   7   8.514  16.194  16.194
   31    H    ALA   8           H        ALA   8   6.066  16.452  16.452
   32    HA   ALA   8           HA       ALA   8   7.439  13.979  13.979
   33   1HB   ALA   8          1HB       ALA   8   6.526  15.421  15.421
   34   2HB   ALA   8          3HB       ALA   8   6.899  13.701  13.701
   35   3HB   ALA   8          2HB       ALA   8   8.136  14.835  14.835
   36    H    GLU   9           H        GLU   9   4.177  14.941  14.941
   37    HA   GLU   9           HA       GLU   9   3.184  12.330  12.330
   38   1HB   GLU   9          2HB       GLU   9   2.123  14.602  14.602
   39   2HB   GLU   9          1HB       GLU   9   1.492  14.596  14.596
   40   1HG   GLU   9          2HG       GLU   9   0.382  12.454  12.454
   41   2HG   GLU   9          1HG       GLU   9   1.073  12.369  12.369
   42    H    GLU  10           H        GLU  10   3.489  14.283  14.283
   43    HA   GLU  10           HA       GLU  10   1.898  12.556  12.556
   44   1HB   GLU  10          2HB       GLU  10   2.527  15.054  15.054
   45   2HB   GLU  10          1HB       GLU  10   4.018  14.401  14.401
   46   1HG   GLU  10          2HG       GLU  10   2.368  12.830  12.830
   47   2HG   GLU  10          1HG       GLU  10   1.200  14.106  14.106
   48    H    GLN  11           H        GLN  11   5.375  13.036  13.036
   49    HA   GLN  11           HA       GLN  11   6.297  11.172  11.172
   50   1HB   GLN  11          2HB       GLN  11   7.712  12.874  12.874
   51   2HB   GLN  11          1HB       GLN  11   7.638  11.838  11.838
   52   1HG   GLN  11          2HG       GLN  11   8.788  10.066  10.066
   53   2HG   GLN  11          1HG       GLN  11   8.565  10.805  10.805
   54   1HE2  GLN  11          2HE2      GLN  11  11.374  12.931  12.931
   55   2HE2  GLN  11          1HE2      GLN  11  10.024  12.494  12.494
   56    H    LYS  12           H        LYS  12   5.135  10.805  10.805
   57    HA   LYS  12           HA       LYS  12   6.032   8.108   8.108
   58   1HB   LYS  12          2HB       LYS  12   5.245   9.878   9.878
   59   2HB   LYS  12          1HB       LYS  12   3.650   9.201   9.201
   60   1HG   LYS  12          2HG       LYS  12   4.292   7.724   7.724
   61   2HG   LYS  12          1HG       LYS  12   5.038   6.908   6.908
   62   1HD   LYS  12          2HD       LYS  12   6.750   7.062   7.062
   63   2HD   LYS  12          1HD       LYS  12   7.119   8.318   8.318
   64   1HE   LYS  12          2HE       LYS  12   5.596   9.797   9.797
   65   2HE   LYS  12          1HE       LYS  12   6.056   8.590   8.590
   66   1HZ   LYS  12          3HZ       LYS  12   8.412   8.997   8.997
   67   2HZ   LYS  12          2HZ       LYS  12   7.809  10.388  10.388
   68   3HZ   LYS  12          1HZ       LYS  12   7.693  10.228  10.228
   69    H    LEU  13           H        LEU  13   3.086   9.630   9.630
   70    HA   LEU  13           HA       LEU  13   1.502   7.266   7.266
   71   1HB   LEU  13          2HB       LEU  13   1.327   9.965   9.965
   72   2HB   LEU  13          1HB       LEU  13   0.223   8.666   8.666
   73    HG   LEU  13           HG       LEU  13   0.641   9.324   9.324
   74   1HD1  LEU  13          2HD1      LEU  13  -0.011  11.362  11.362
   75   2HD1  LEU  13          1HD1      LEU  13  -1.601  10.600  10.600
   76   3HD1  LEU  13          3HD1      LEU  13  -0.818  11.124  11.124
   77   1HD2  LEU  13          1HD2      LEU  13  -0.609   7.282   7.282
   78   2HD2  LEU  13          3HD2      LEU  13  -1.610   8.404   8.404
   79   3HD2  LEU  13          2HD2      LEU  13  -1.756   8.329   8.329
   80    H    ILE  14           H        ILE  14   3.479   8.974   8.974
   81    HA   ILE  14           HA       ILE  14   2.916   7.232   7.232
   82    HB   ILE  14           HB       ILE  14   5.393   8.917   8.917
   83   1HG1  ILE  14          2HG1      ILE  14   2.844   9.588   9.588
   84   2HG1  ILE  14          1HG1      ILE  14   3.214  10.163  10.163
   85   1HG2  ILE  14          2HG2      ILE  14   4.169   7.672   7.672
   86   2HG2  ILE  14          1HG2      ILE  14   5.438   8.897   8.897
   87   3HG2  ILE  14          3HG2      ILE  14   5.753   7.324   7.324
   88   1HD1  ILE  14          1HD1      ILE  14   5.196  10.589  10.589
   89   2HD1  ILE  14          3HD1      ILE  14   3.816  11.675  11.675
   90   3HD1  ILE  14          2HD1      ILE  14   4.975  11.515  11.515
   91    H    SER  15           H        SER  15   5.724   7.414   7.414
   92    HA   SER  15           HA       SER  15   7.093   5.180   5.180
   93   1HB   SER  15          2HB       SER  15   8.252   5.140   5.140
   94   2HB   SER  15          1HB       SER  15   8.164   6.766   6.766
   95    HG   SER  15           HG       SER  15   6.992   5.697   5.697
   96    H    GLU  16           H        GLU  16   4.427   5.436   5.436
   97    HA   GLU  16           HA       GLU  16   4.598   2.676   2.676
   98   1HB   GLU  16          2HB       GLU  16   2.690   4.941   4.941
   99   2HB   GLU  16          1HB       GLU  16   2.207   3.290   3.290
  100   1HG   GLU  16          2HG       GLU  16   4.420   3.100   3.100
  101   2HG   GLU  16          1HG       GLU  16   4.544   4.852   4.852
  102    H    GLU  17           H        GLU  17   2.797   4.562   4.562
  103    HA   GLU  17           HA       GLU  17   0.985   2.431   2.431
  104   1HB   GLU  17          2HB       GLU  17   0.529   4.909   4.909
  105   2HB   GLU  17          1HB       GLU  17   1.652   4.851   4.851
  106   1HG   GLU  17          2HG       GLU  17  -0.473   2.767   2.767
  107   2HG   GLU  17          1HG       GLU  17  -0.979   4.411   4.411
  108    H    ASP  18           H        ASP  18   4.015   3.718   3.718
  109    HA   ASP  18           HA       ASP  18   4.067   2.170   2.170
  110   1HB   ASP  18          2HB       ASP  18   5.538   4.239   4.239
  111   2HB   ASP  18          1HB       ASP  18   6.621   2.943   2.943
  112    H    LEU  19           H        LEU  19   5.404   1.691   1.691
  113    HA   LEU  19           HA       LEU  19   6.812  -0.699  -0.699
  114   1HB   LEU  19          2HB       LEU  19   6.736   0.878   0.878
  115   2HB   LEU  19          1HB       LEU  19   5.537  -0.301  -0.301
  116    HG   LEU  19           HG       LEU  19   7.300  -2.074  -2.074
  117   1HD1  LEU  19          1HD1      LEU  19   8.671  -0.025  -0.025
  118   2HD1  LEU  19          3HD1      LEU  19   9.275   0.075   0.075
  119   3HD1  LEU  19          2HD1      LEU  19   9.506  -1.403  -1.403
  120   1HD2  LEU  19          2HD2      LEU  19   6.580  -1.431  -1.431
  121   2HD2  LEU  19          1HD2      LEU  19   8.203  -2.106  -2.106
  122   3HD2  LEU  19          3HD2      LEU  19   7.985  -0.366  -0.366
  123    H    LEU  20           H        LEU  20   3.455  -0.036  -0.036
  124    HA   LEU  20           HA       LEU  20   2.684  -2.721  -2.721
  125   1HB   LEU  20          2HB       LEU  20   1.263  -0.171  -0.171
  126   2HB   LEU  20          1HB       LEU  20   0.368  -1.677  -1.677
  127    HG   LEU  20           HG       LEU  20   1.949  -1.095  -1.095
  128   1HD1  LEU  20          3HD1      LEU  20  -0.972  -0.480  -0.480
  129   2HD1  LEU  20          2HD1      LEU  20  -0.171  -0.341  -0.341
  130   3HD1  LEU  20          1HD1      LEU  20   0.301   0.717   0.717
  131   1HD2  LEU  20          2HD2      LEU  20   1.155  -3.438  -3.438
  132   2HD2  LEU  20          1HD2      LEU  20   0.600  -2.840  -2.840
  133   3HD2  LEU  20          3HD2      LEU  20  -0.492  -2.832  -2.832
  134    H    ARG  21           H        ARG  21   2.933  -0.801  -0.801
  135    HA   ARG  21           HA       ARG  21   1.500  -2.509  -2.509
  136   1HB   ARG  21          2HB       ARG  21   3.762  -0.572  -0.572
  137   2HB   ARG  21          1HB       ARG  21   2.893  -1.420  -1.420
  138   1HG   ARG  21          2HG       ARG  21   0.750  -0.483  -0.483
  139   2HG   ARG  21          1HG       ARG  21   1.835   0.626   0.626
  140   1HD   ARG  21          2HD       ARG  21   1.574   0.300   0.300
  141   2HD   ARG  21          1HD       ARG  21   1.012   1.671   1.671
  142    HE   ARG  21           HE       ARG  21   3.835   1.163   1.163
  143   1HH1  ARG  21          1HH1      ARG  21   1.413   2.714   2.714
  144   2HH1  ARG  21          2HH1      ARG  21   2.520   3.880   3.880
  145   1HH2  ARG  21          1HH2      ARG  21   5.246   2.702   2.702
  146   2HH2  ARG  21          2HH2      ARG  21   4.672   3.874   3.874
  147    H    LYS  22           H        LYS  22   4.972  -2.297  -2.297
  148    HA   LYS  22           HA       LYS  22   5.786  -4.421  -4.421
  149   1HB   LYS  22          2HB       LYS  22   7.018  -3.180  -3.180
  150   2HB   LYS  22          1HB       LYS  22   7.793  -4.500  -4.500
  151   1HG   LYS  22          2HG       LYS  22   8.276  -3.191  -3.191
  152   2HG   LYS  22          1HG       LYS  22   6.828  -2.203  -2.203
  153   1HD   LYS  22          2HD       LYS  22   8.568  -0.730  -0.730
  154   2HD   LYS  22          1HD       LYS  22   7.985  -1.317  -1.317
  155   1HE   LYS  22          2HE       LYS  22  10.140  -2.887  -2.887
  156   2HE   LYS  22          1HE       LYS  22  10.586  -1.341  -1.341
  157   1HZ   LYS  22          3HZ       LYS  22   9.392  -2.140  -2.140
  158   2HZ   LYS  22          2HZ       LYS  22   9.341  -3.679  -3.679
  159   3HZ   LYS  22          1HZ       LYS  22  10.836  -2.952  -2.952
  160    H    ARG  23           H        ARG  23   4.671  -4.301  -4.301
  161    HA   ARG  23           HA       ARG  23   5.285  -7.008  -7.008
  162   1HB   ARG  23          2HB       ARG  23   4.778  -5.142  -5.142
  163   2HB   ARG  23          1HB       ARG  23   3.078  -5.350  -5.350
  164   1HG   ARG  23          2HG       ARG  23   3.471  -6.707  -6.707
  165   2HG   ARG  23          1HG       ARG  23   3.349  -7.809  -7.809
  166   1HD   ARG  23          2HD       ARG  23   5.741  -8.029  -8.029
  167   2HD   ARG  23          1HD       ARG  23   5.983  -6.733  -6.733
  168    HE   ARG  23           HE       ARG  23   4.506  -8.583  -8.583
  169   1HH1  ARG  23          1HH1      ARG  23   7.501  -8.701  -8.701
  170   2HH1  ARG  23          2HH1      ARG  23   8.161  -9.980  -9.980
  171   1HH2  ARG  23          1HH2      ARG  23   5.405 -10.250 -10.250
  172   2HH2  ARG  23          2HH2      ARG  23   6.987 -10.850 -10.850
  173    H    ARG  24           H        ARG  24   2.496  -5.392  -5.392
  174    HA   ARG  24           HA       ARG  24   0.654  -7.524  -7.524
  175   1HB   ARG  24          2HB       ARG  24   0.377  -4.997  -4.997
  176   2HB   ARG  24          1HB       ARG  24   0.605  -5.704  -5.704
  177   1HG   ARG  24          2HG       ARG  24  -1.337  -6.972  -6.972
  178   2HG   ARG  24          1HG       ARG  24  -1.312  -7.017  -7.017
  179   1HD   ARG  24          2HD       ARG  24  -3.095  -5.541  -5.541
  180   2HD   ARG  24          1HD       ARG  24  -1.774  -4.522  -4.522
  181    HE   ARG  24           HE       ARG  24  -1.593  -3.657  -3.657
  182   1HH1  ARG  24          1HH1      ARG  24  -3.501  -6.593  -6.593
  183   2HH1  ARG  24          2HH1      ARG  24  -3.960  -6.390  -6.390
  184   1HH2  ARG  24          1HH2      ARG  24  -2.218  -3.433  -3.433
  185   2HH2  ARG  24          2HH2      ARG  24  -3.241  -4.617  -4.617
  186    H    GLU  25           H        GLU  25   3.206  -6.760  -6.760
  187    HA   GLU  25           HA       GLU  25   2.436  -8.729  -8.729
  188   1HB   GLU  25          2HB       GLU  25   4.990  -7.177  -7.177
  189   2HB   GLU  25          1HB       GLU  25   4.786  -8.332  -8.332
  190   1HG   GLU  25          2HG       GLU  25   2.802  -7.061  -7.061
  191   2HG   GLU  25          1HG       GLU  25   3.069  -5.882  -5.882
  192    H    GLN  26           H        GLN  26   4.997  -8.549  -8.549
  193    HA   GLN  26           HA       GLN  26   6.008 -11.163 -11.163
  194   1HB   GLN  26          2HB       GLN  26   6.140  -9.371  -9.371
  195   2HB   GLN  26          1HB       GLN  26   7.024 -10.889 -10.889
  196   1HG   GLN  26          2HG       GLN  26   7.747  -9.753  -9.753
  197   2HG   GLN  26          1HG       GLN  26   7.461  -8.287  -8.287
  198   1HE2  GLN  26          2HE2      GLN  26   9.952  -9.503  -9.503
  199   2HE2  GLN  26          1HE2      GLN  26   8.291  -9.156  -9.156
  200    H    LEU  27           H        LEU  27   3.491  -9.869  -9.869
  201    HA   LEU  27           HA       LEU  27   3.064 -12.169 -12.169
  202   1HB   LEU  27          2HB       LEU  27   1.447  -9.757  -9.757
  203   2HB   LEU  27          1HB       LEU  27   0.628 -11.126 -11.126
  204    HG   LEU  27           HG       LEU  27   3.135  -9.840  -9.840
  205   1HD1  LEU  27          2HD1      LEU  27   0.209  -9.427  -9.427
  206   2HD1  LEU  27          1HD1      LEU  27   1.522  -8.950  -8.950
  207   3HD1  LEU  27          3HD1      LEU  27   1.374  -8.206  -8.206
  208   1HD2  LEU  27          3HD2      LEU  27   1.243 -12.008 -12.008
  209   2HD2  LEU  27          2HD2      LEU  27   3.005 -12.033 -12.033
  210   3HD2  LEU  27          1HD2      LEU  27   2.172 -11.086 -11.086
  211    H    LYS  28           H        LYS  28   1.740 -11.142 -11.142
  212    HA   LYS  28           HA       LYS  28  -0.138 -13.279 -13.279
  213   1HB   LYS  28          2HB       LYS  28   0.153 -10.979 -10.979
  214   2HB   LYS  28          1HB       LYS  28   1.013 -12.046 -12.046
  215   1HG   LYS  28          2HG       LYS  28  -0.953 -13.570 -13.570
  216   2HG   LYS  28          1HG       LYS  28  -1.817 -12.436 -12.436
  217   1HD   LYS  28          2HD       LYS  28  -1.083 -10.719 -10.719
  218   2HD   LYS  28          1HD       LYS  28  -1.096 -12.194 -12.194
  219   1HE   LYS  28          2HE       LYS  28  -3.390 -11.132 -11.132
  220   2HE   LYS  28          1HE       LYS  28  -3.303 -11.142 -11.142
  221   1HZ   LYS  28          1HZ       LYS  28  -2.978 -13.641 -13.641
  222   2HZ   LYS  28          3HZ       LYS  28  -3.547 -13.436 -13.436
  223   3HZ   LYS  28          2HZ       LYS  28  -4.537 -13.022 -13.022
  224    H    HIS  29           H        HIS  29   3.234 -12.848 -12.848
  225    HA   HIS  29           HA       HIS  29   3.529 -15.062 -15.062
  226   1HB   HIS  29          2HB       HIS  29   5.397 -13.446 -13.446
  227   2HB   HIS  29          1HB       HIS  29   5.975 -14.957 -14.957
  228    HD1  HIS  29           HD1      HIS  29   5.377 -15.150 -15.150
  229    HD2  HIS  29           HD2      HIS  29   5.602 -11.333 -11.333
  230    HE1  HIS  29           HE1      HIS  29   5.691 -13.545 -13.545
  231    H    LYS  30           H        LYS  30   3.863 -14.741 -14.741
  232    HA   LYS  30           HA       LYS  30   4.744 -17.374 -17.374
  233   1HB   LYS  30          2HB       LYS  30   3.405 -15.249 -15.249
  234   2HB   LYS  30          1HB       LYS  30   3.590 -16.875 -16.875
  235   1HG   LYS  30          2HG       LYS  30   5.902 -16.747 -16.747
  236   2HG   LYS  30          1HG       LYS  30   5.966 -15.579 -15.579
  237   1HD   LYS  30          2HD       LYS  30   5.188 -13.803 -13.803
  238   2HD   LYS  30          1HD       LYS  30   4.871 -14.941 -14.941
  239   1HE   LYS  30          2HE       LYS  30   6.951 -14.099 -14.099
  240   2HE   LYS  30          1HE       LYS  30   7.423 -15.528 -15.528
  241   1HZ   LYS  30          1HZ       LYS  30   7.115 -12.896 -12.896
  242   2HZ   LYS  30          3HZ       LYS  30   8.568 -13.340 -13.340
  243   3HZ   LYS  30          2HZ       LYS  30   7.972 -14.256 -14.256
  244    H    LEU  31           H        LEU  31   1.484 -15.946 -15.946
  245    HA   LEU  31           HA       LEU  31   0.137 -18.352 -18.352
  246   1HB   LEU  31          2HB       LEU  31  -0.612 -15.730 -15.730
  247   2HB   LEU  31          1HB       LEU  31  -1.364 -16.372 -16.372
  248    HG   LEU  31           HG       LEU  31  -2.909 -16.536 -16.536
  249   1HD1  LEU  31          3HD1      LEU  31  -2.842 -18.335 -18.335
  250   2HD1  LEU  31          2HD1      LEU  31  -1.844 -19.292 -19.292
  251   3HD1  LEU  31          1HD1      LEU  31  -3.494 -18.867 -18.867
  252   1HD2  LEU  31          3HD2      LEU  31  -0.859 -16.801 -16.801
  253   2HD2  LEU  31          2HD2      LEU  31  -2.390 -17.580 -17.580
  254   3HD2  LEU  31          1HD2      LEU  31  -1.080 -18.524 -18.524
  255    H    GLU  32           H        GLU  32   1.023 -16.823 -16.823
  256    HA   GLU  32           HA       GLU  32  -0.489 -18.532 -18.532
  257   1HB   GLU  32          2HB       GLU  32   0.519 -16.323 -16.323
  258   2HB   GLU  32          1HB       GLU  32   2.095 -17.117 -17.117
  259   1HG   GLU  32          2HG       GLU  32   1.511 -18.517 -18.517
  260   2HG   GLU  32          1HG       GLU  32  -0.218 -18.278 -18.278
  261    H    GLN  33           H        GLN  33   2.957 -18.531 -18.531
  262    HA   GLN  33           HA       GLN  33   3.638 -20.909 -20.909
  263   1HB   GLN  33          2HB       GLN  33   5.119 -19.057 -19.057
  264   2HB   GLN  33          1HB       GLN  33   5.047 -20.219 -20.219
  265   1HG   GLN  33          2HG       GLN  33   6.926 -20.959 -20.959
  266   2HG   GLN  33          1HG       GLN  33   5.654 -21.964 -21.964
  267   1HE2  GLN  33          2HE2      GLN  33   6.535 -20.816 -20.816
  268   2HE2  GLN  33          1HE2      GLN  33   6.174 -22.134 -22.134
  269    H    LEU  34           H        LEU  34   3.325 -20.467 -20.467
  270    HA   LEU  34           HA       LEU  34   3.050 -23.282 -23.282
  271   1HB   LEU  34          2HB       LEU  34   2.910 -20.814 -20.814
  272   2HB   LEU  34          1HB       LEU  34   2.247 -22.320 -22.320
  273    HG   LEU  34           HG       LEU  34   4.558 -23.297 -23.297
  274   1HD1  LEU  34          3HD1      LEU  34   5.066 -20.872 -20.872
  275   2HD1  LEU  34          2HD1      LEU  34   5.433 -20.549 -20.549
  276   3HD1  LEU  34          1HD1      LEU  34   6.346 -21.775 -21.775
  277   1HD2  LEU  34          1HD2      LEU  34   3.737 -23.348 -23.348
  278   2HD2  LEU  34          3HD2      LEU  34   5.460 -22.982 -22.982
  279   3HD2  LEU  34          2HD2      LEU  34   4.297 -21.690 -21.690
  280   1HN   NH2  35          1HT       LEU  34   1.046 -24.155 -24.155
  281   2HN   NH2  35          2HT       LEU  34  -0.472 -23.635 -23.635
  282   1H    ACE   2          1HA       ACE   2   4.462  27.307  27.307
  283   2H    ACE   2          2HA       ACE   2   3.173  26.637  26.637
  284   3H    ACE   2          3HA       ACE   2   4.851  26.517  26.517
  285    H    CYS   3           H        CYS   3   2.738  25.607  25.607
  286    HA   CYS   3           HA       CYS   3   4.471  23.373  23.373
  287   1HB   CYS   3          2HB       CYS   3   1.785  24.168  24.168
  288   2HB   CYS   3          1HB       CYS   3   2.909  22.993  22.993
  289    H    GLY   4           H        GLY   4   4.372  21.620  21.620
  290   1HA   GLY   4          2HA       GLY   4   1.913  20.881  20.881
  291   2HA   GLY   4          1HA       GLY   4   3.479  20.093  20.093
  292    H    GLY   5           H        GLY   5   0.899  18.835  18.835
  293   1HA   GLY   5          2HA       GLY   5   0.781  16.665  16.665
  294   2HA   GLY   5          1HA       GLY   5   1.425  17.459  17.459
  295    H    MET   6           H        MET   6   0.089  18.988  18.988
  296    HA   MET   6           HA       MET   6  -1.879  19.667  19.667
  297   1HB   MET   6          2HB       MET   6  -3.014  19.180  19.180
  298   2HB   MET   6          1HB       MET   6  -3.806  20.078  20.078
  299   1HG   MET   6          2HG       MET   6  -1.587  21.480  21.480
  300   2HG   MET   6          1HG       MET   6  -1.381  20.825  20.825
  301   1HE   MET   6          2HE       MET   6  -1.891  22.028  22.028
  302   2HE   MET   6          1HE       MET   6  -2.870  23.491  23.491
  303   3HE   MET   6          3HE       MET   6  -1.434  23.447  23.447
  304    H    ARG   7           H        ARG   7  -4.219  18.934  18.934
  305    HA   ARG   7           HA       ARG   7  -4.157  16.229  16.229
  306   1HB   ARG   7          2HB       ARG   7  -6.590  16.607  16.607
  307   2HB   ARG   7          1HB       ARG   7  -5.505  17.801  17.801
  308   1HG   ARG   7          2HG       ARG   7  -6.190  19.484  19.484
  309   2HG   ARG   7          1HG       ARG   7  -6.641  18.352  18.352
  310   1HD   ARG   7          2HD       ARG   7  -8.651  19.331  19.331
  311   2HD   ARG   7          1HD       ARG   7  -8.573  17.608  17.608
  312    HE   ARG   7           HE       ARG   7  -7.352  18.840  18.840
  313   1HH1  ARG   7          1HH1      ARG   7 -10.485  19.016  19.016
  314   2HH1  ARG   7          2HH1      ARG   7 -11.311  19.435  19.435
  315   1HH2  ARG   7          1HH2      ARG   7  -8.469  19.387  19.387
  316   2HH2  ARG   7          2HH2      ARG   7 -10.182  19.644  19.644
  317    H    ARG   8           H        ARG   8  -5.286  17.781  17.781
  318    HA   ARG   8           HA       ARG   8  -7.079  15.829  15.829
  319   1HB   ARG   8          2HB       ARG   8  -5.236  17.666  17.666
  320   2HB   ARG   8          1HB       ARG   8  -6.544  16.724  16.724
  321   1HG   ARG   8          2HG       ARG   8  -8.204  17.902  17.902
  322   2HG   ARG   8          1HG       ARG   8  -6.970  18.683  18.683
  323   1HD   ARG   8          2HD       ARG   8  -6.276  20.089  20.089
  324   2HD   ARG   8          1HD       ARG   8  -6.985  19.056  19.056
  325    HE   ARG   8           HE       ARG   8  -9.137  19.909  19.909
  326   1HH1  ARG   8          1HH1      ARG   8  -6.513  21.507  21.507
  327   2HH1  ARG   8          2HH1      ARG   8  -7.449  22.917  22.917
  328   1HH2  ARG   8          1HH2      ARG   8 -10.323  21.764  21.764
  329   2HH2  ARG   8          2HH2      ARG   8  -9.588  23.063  23.063
  330    H    LYS   9           H        LYS   9  -3.599  16.226  16.226
  331    HA   LYS   9           HA       LYS   9  -3.321  13.881  13.881
  332   1HB   LYS   9          2HB       LYS   9  -1.656  15.776  15.776
  333   2HB   LYS   9          1HB       LYS   9  -1.169  15.131  15.131
  334   1HG   LYS   9          2HG       LYS   9   0.342  14.043  14.043
  335   2HG   LYS   9          1HG       LYS   9  -0.969  12.864  12.864
  336   1HD   LYS   9          2HD       LYS   9  -0.550  13.063  13.063
  337   2HD   LYS   9          1HD       LYS   9  -1.878  14.200  14.200
  338   1HE   LYS   9          2HE       LYS   9  -0.187  16.031  16.031
  339   2HE   LYS   9          1HE       LYS   9   1.075  14.870  14.870
  340   1HZ   LYS   9          1HZ       LYS   9  -0.165  14.449  14.449
  341   2HZ   LYS   9          3HZ       LYS   9  -1.188  15.746  15.746
  342   3HZ   LYS   9          2HZ       LYS   9   0.469  16.020  16.020
  343    H    ASN  10           H        ASN  10  -3.098  14.492  14.492
  344    HA   ASN  10           HA       ASN  10  -2.082  11.922  11.922
  345   1HB   ASN  10          2HB       ASN  10  -3.684  13.867  13.867
  346   2HB   ASN  10          1HB       ASN  10  -2.721  12.518  12.518
  347   1HD2  ASN  10          2HD2      ASN  10  -0.780  15.834  15.834
  348   2HD2  ASN  10          1HD2      ASN  10  -2.374  15.523  15.523
  349    H    ASP  11           H        ASP  11  -5.295  13.263  13.263
  350    HA   ASP  11           HA       ASP  11  -6.784  11.169  11.169
  351   1HB   ASP  11          2HB       ASP  11  -7.606  13.486  13.486
  352   2HB   ASP  11          1HB       ASP  11  -7.737  12.753  12.753
  353    H    THR  12           H        THR  12  -5.349  11.586  11.586
  354    HA   THR  12           HA       THR  12  -6.677   9.356   9.356
  355    HB   THR  12           HB       THR  12  -4.024  10.458  10.458
  356    HG1  THR  12           HG1      THR  12  -5.137  12.116  12.116
  357   1HG2  THR  12          2HG2      THR  12  -5.452   8.462   8.462
  358   2HG2  THR  12          1HG2      THR  12  -6.348   9.793   9.793
  359   3HG2  THR  12          3HG2      THR  12  -4.620   9.616   9.616
  360    H    HIS  13           H        HIS  13  -3.703   9.831   9.831
  361    HA   HIS  13           HA       HIS  13  -2.563   7.274   7.274
  362   1HB   HIS  13          2HB       HIS  13  -2.014   9.268   9.268
  363   2HB   HIS  13          1HB       HIS  13  -1.098   7.775   7.775
  364    HD1  HIS  13           HD1      HIS  13  -0.268   7.511   7.511
  365    HD2  HIS  13           HD2      HIS  13  -0.808  11.339  11.339
  366    HE1  HIS  13           HE1      HIS  13   1.033   9.087   9.087
  367    H    GLN  14           H        GLN  14  -4.705   8.528   8.528
  368    HA   GLN  14           HA       GLN  14  -4.551   6.323   6.323
  369   1HB   GLN  14          2HB       GLN  14  -5.654   8.743   8.743
  370   2HB   GLN  14          1HB       GLN  14  -7.098   7.849   7.849
  371   1HG   GLN  14          2HG       GLN  14  -6.875   6.333   6.333
  372   2HG   GLN  14          1HG       GLN  14  -5.265   6.942   6.942
  373   1HE2  GLN  14          2HE2      GLN  14  -7.958   8.566   8.566
  374   2HE2  GLN  14          1HE2      GLN  14  -7.692   6.940   6.940
  375    H    GLN  15           H        GLN  15  -6.754   7.125   7.125
  376    HA   GLN  15           HA       GLN  15  -8.477   4.906   4.906
  377   1HB   GLN  15          2HB       GLN  15  -8.582   7.073   7.073
  378   2HB   GLN  15          1HB       GLN  15  -7.891   5.958   5.958
  379   1HG   GLN  15          2HG       GLN  15  -9.782   4.660   4.660
  380   2HG   GLN  15          1HG       GLN  15 -10.182   4.943   4.943
  381   1HE2  GLN  15          2HE2      GLN  15 -12.151   7.042   7.042
  382   2HE2  GLN  15          1HE2      GLN  15 -11.376   5.559   5.559
  383    H    ASP  16           H        ASP  16  -5.693   5.399   5.399
  384    HA   ASP  16           HA       ASP  16  -5.701   2.804   2.804
  385   1HB   ASP  16          2HB       ASP  16  -4.330   5.021   5.021
  386   2HB   ASP  16          1HB       ASP  16  -3.097   4.203   4.203
  387    H    ILE  17           H        ILE  17  -4.099   4.171   4.171
  388    HA   ILE  17           HA       ILE  17  -2.496   1.947   1.947
  389    HB   ILE  17           HB       ILE  17  -3.597   4.293   4.293
  390   1HG1  ILE  17          2HG1      ILE  17  -0.751   3.334   3.334
  391   2HG1  ILE  17          1HG1      ILE  17  -1.549   4.319   4.319
  392   1HG2  ILE  17          3HG2      ILE  17  -2.281   1.847   1.847
  393   2HG2  ILE  17          2HG2      ILE  17  -2.110   3.432   3.432
  394   3HG2  ILE  17          1HG2      ILE  17  -3.709   2.712   2.712
  395   1HD1  ILE  17          3HD1      ILE  17  -2.144   5.887   5.887
  396   2HD1  ILE  17          2HD1      ILE  17  -0.829   5.048   5.048
  397   3HD1  ILE  17          1HD1      ILE  17  -0.511   5.938   5.938
  398    H    ASP  18           H        ASP  18  -5.372   2.994   2.994
  399    HA   ASP  18           HA       ASP  18  -5.861   0.770   0.770
  400   1HB   ASP  18          2HB       ASP  18  -7.573   2.931   2.931
  401   2HB   ASP  18          1HB       ASP  18  -8.424   1.491   1.491
  402    H    ASP  19           H        ASP  19  -6.534   1.185   1.185
  403    HA   ASP  19           HA       ASP  19  -8.211  -1.132  -1.132
  404   1HB   ASP  19          2HB       ASP  19  -8.031   0.891   0.891
  405   2HB   ASP  19          1HB       ASP  19  -6.597   0.082   0.082
  406    H    LEU  20           H        LEU  20  -4.789  -0.409  -0.409
  407    HA   LEU  20           HA       LEU  20  -4.083  -2.996  -2.996
  408   1HB   LEU  20          2HB       LEU  20  -2.409  -0.813  -0.813
  409   2HB   LEU  20          1HB       LEU  20  -1.746  -2.274  -2.274
  410    HG   LEU  20           HG       LEU  20  -3.646  -0.535  -0.535
  411   1HD1  LEU  20          3HD1      LEU  20  -0.654  -0.150  -0.150
  412   2HD1  LEU  20          2HD1      LEU  20  -1.640   0.630   0.630
  413   3HD1  LEU  20          1HD1      LEU  20  -1.912   0.996   0.996
  414   1HD2  LEU  20          1HD2      LEU  20  -1.421  -2.483  -2.483
  415   2HD2  LEU  20          3HD2      LEU  20  -3.144  -2.672  -2.672
  416   3HD2  LEU  20          2HD2      LEU  20  -2.204  -1.470  -1.470
  417    H    LYS  21           H        LYS  21  -3.970  -1.445  -1.445
  418    HA   LYS  21           HA       LYS  21  -2.710  -3.548  -3.548
  419   1HB   LYS  21          2HB       LYS  21  -3.369  -1.069  -1.069
  420   2HB   LYS  21          1HB       LYS  21  -4.773  -1.900  -1.900
  421   1HG   LYS  21          2HG       LYS  21  -3.332  -2.099  -2.099
  422   2HG   LYS  21          1HG       LYS  21  -2.893  -3.562  -3.562
  423   1HD   LYS  21          2HD       LYS  21  -0.926  -2.614  -2.614
  424   2HD   LYS  21          1HD       LYS  21  -1.493  -0.964  -0.964
  425   1HE   LYS  21          2HE       LYS  21  -1.233  -1.178  -1.178
  426   2HE   LYS  21          1HE       LYS  21  -0.910  -2.907  -2.907
  427   1HZ   LYS  21          3HZ       LYS  21   0.785  -0.854  -0.854
  428   2HZ   LYS  21          2HZ       LYS  21   1.089  -1.439  -1.439
  429   3HZ   LYS  21          1HZ       LYS  21   1.134  -2.496  -2.496
  430    H    ARG  22           H        ARG  22  -6.057  -2.950  -2.950
  431    HA   ARG  22           HA       ARG  22  -7.287  -4.869  -4.869
  432   1HB   ARG  22          2HB       ARG  22  -8.483  -3.095  -3.095
  433   2HB   ARG  22          1HB       ARG  22  -8.193  -4.062  -4.062
  434   1HG   ARG  22          2HG       ARG  22 -10.358  -4.712  -4.712
  435   2HG   ARG  22          1HG       ARG  22  -9.294  -6.002  -6.002
  436   1HD   ARG  22          2HD       ARG  22  -9.129  -4.415  -4.415
  437   2HD   ARG  22          1HD       ARG  22 -10.706  -3.887  -3.887
  438    HE   ARG  22           HE       ARG  22 -10.620  -6.719  -6.719
  439   1HH1  ARG  22          1HH1      ARG  22 -10.722  -3.971  -3.971
  440   2HH1  ARG  22          2HH1      ARG  22 -11.524  -4.847  -4.847
  441   1HH2  ARG  22          1HH2      ARG  22 -11.665  -7.824  -7.824
  442   2HH2  ARG  22          2HH2      ARG  22 -12.054  -7.011  -7.011
  443    H    GLN  23           H        GLN  23  -6.374  -5.109  -5.109
  444    HA   GLN  23           HA       GLN  23  -6.934  -7.869  -7.869
  445   1HB   GLN  23          2HB       GLN  23  -6.413  -6.015  -6.015
  446   2HB   GLN  23          1HB       GLN  23  -4.765  -6.619  -6.619
  447   1HG   GLN  23          2HG       GLN  23  -6.059  -8.973  -8.973
  448   2HG   GLN  23          1HG       GLN  23  -7.171  -7.978  -7.978
  449   1HE2  GLN  23          2HE2      GLN  23  -4.280  -9.331  -9.331
  450   2HE2  GLN  23          1HE2      GLN  23  -5.264 -10.106 -10.106
  451    H    ASN  24           H        ASN  24  -3.880  -6.135  -6.135
  452    HA   ASN  24           HA       ASN  24  -2.219  -8.409  -8.409
  453   1HB   ASN  24          2HB       ASN  24  -1.893  -5.743  -5.743
  454   2HB   ASN  24          1HB       ASN  24  -0.624  -6.945  -6.945
  455   1HD2  ASN  24          2HD2      ASN  24   0.082  -4.968  -4.968
  456   2HD2  ASN  24          1HD2      ASN  24   0.542  -5.254  -5.254
  457    H    ALA  25           H        ALA  25  -4.256  -6.815  -6.815
  458    HA   ALA  25           HA       ALA  25  -3.239  -8.016  -8.016
  459   1HB   ALA  25          2HB       ALA  25  -6.004  -7.012  -7.012
  460   2HB   ALA  25          1HB       ALA  25  -5.565  -7.603  -7.603
  461   3HB   ALA  25          3HB       ALA  25  -4.756  -6.185  -6.185
  462    H    LEU  26           H        LEU  26  -5.463  -9.160  -9.160
  463    HA   LEU  26           HA       LEU  26  -6.272 -11.492 -11.492
  464   1HB   LEU  26          2HB       LEU  26  -7.402 -10.158 -10.158
  465   2HB   LEU  26          1HB       LEU  26  -6.639 -11.501 -11.501
  466    HG   LEU  26           HG       LEU  26  -8.931 -12.095 -12.095
  467   1HD1  LEU  26          1HD1      LEU  26  -6.956 -13.760 -13.760
  468   2HD1  LEU  26          3HD1      LEU  26  -7.106 -13.595 -13.595
  469   3HD1  LEU  26          2HD1      LEU  26  -8.459 -14.214 -14.214
  470   1HD2  LEU  26          2HD2      LEU  26  -8.582 -10.529 -10.529
  471   2HD2  LEU  26          1HD2      LEU  26  -9.802 -11.801 -11.801
  472   3HD2  LEU  26          3HD2      LEU  26  -8.255 -12.098 -12.098
  473    H    LEU  27           H        LEU  27  -3.904 -10.690 -10.690
  474    HA   LEU  27           HA       LEU  27  -3.180 -13.380 -13.380
  475   1HB   LEU  27          2HB       LEU  27  -1.980 -10.681 -10.681
  476   2HB   LEU  27          1HB       LEU  27  -0.995 -12.120 -12.120
  477    HG   LEU  27           HG       LEU  27  -3.259 -12.898 -12.898
  478   1HD1  LEU  27          3HD1      LEU  27  -3.243  -9.898  -9.898
  479   2HD1  LEU  27          2HD1      LEU  27  -3.807 -10.724 -10.724
  480   3HD1  LEU  27          1HD1      LEU  27  -4.609 -11.007 -11.007
  481   1HD2  LEU  27          1HD2      LEU  27  -0.856 -12.711 -12.711
  482   2HD2  LEU  27          3HD2      LEU  27  -2.115 -12.435 -12.435
  483   3HD2  LEU  27          2HD2      LEU  27  -1.257 -11.067 -11.067
  484    H    GLU  28           H        GLU  28  -1.616 -10.875 -10.875
  485    HA   GLU  28           HA       GLU  28   0.503 -12.453 -12.453
  486   1HB   GLU  28          2HB       GLU  28  -0.851 -10.283 -10.283
  487   2HB   GLU  28          1HB       GLU  28   0.834 -10.781 -10.781
  488   1HG   GLU  28          2HG       GLU  28   0.226 -10.056 -10.056
  489   2HG   GLU  28          1HG       GLU  28  -0.370  -8.774  -8.774
  490    H    GLN  29           H        GLN  29  -2.760 -11.914 -11.914
  491    HA   GLN  29           HA       GLN  29  -2.551 -13.263 -13.263
  492   1HB   GLN  29          2HB       GLN  29  -4.511 -11.881 -11.881
  493   2HB   GLN  29          1HB       GLN  29  -4.995 -13.242 -13.242
  494   1HG   GLN  29          2HG       GLN  29  -5.540 -14.582 -14.582
  495   2HG   GLN  29          1HG       GLN  29  -4.428 -13.742 -13.742
  496   1HE2  GLN  29          2HE2      GLN  29  -6.774 -10.918 -10.918
  497   2HE2  GLN  29          1HE2      GLN  29  -5.136 -11.139 -11.139
  498    H    GLN  30           H        GLN  30  -2.951 -14.472 -14.472
  499    HA   GLN  30           HA       GLN  30  -3.413 -17.205 -17.205
  500   1HB   GLN  30          2HB       GLN  30  -4.467 -16.062 -16.062
  501   2HB   GLN  30          1HB       GLN  30  -2.928 -16.468 -16.468
  502   1HG   GLN  30          2HG       GLN  30  -4.207 -18.376 -18.376
  503   2HG   GLN  30          1HG       GLN  30  -3.345 -18.842 -18.842
  504   1HE2  GLN  30          2HE2      GLN  30  -6.310 -19.289 -19.289
  505   2HE2  GLN  30          1HE2      GLN  30  -4.650 -19.608 -19.608
  506    H    VAL  31           H        VAL  31  -0.934 -15.250 -15.250
  507    HA   VAL  31           HA       VAL  31   0.890 -17.363 -17.363
  508    HB   VAL  31           HB       VAL  31   1.477 -14.429 -14.429
  509   1HG1  VAL  31          2HG1      VAL  31   3.043 -16.714 -16.714
  510   2HG1  VAL  31          1HG1      VAL  31   3.392 -15.039 -15.039
  511   3HG1  VAL  31          3HG1      VAL  31   3.548 -15.573 -15.573
  512   1HG2  VAL  31          3HG2      VAL  31  -0.170 -15.472 -15.472
  513   2HG2  VAL  31          2HG2      VAL  31   0.754 -13.981 -13.981
  514   3HG2  VAL  31          1HG2      VAL  31   1.391 -15.495 -15.495
  515    H    ARG  32           H        ARG  32   0.382 -15.231 -15.231
  516    HA   ARG  32           HA       ARG  32   2.703 -15.985 -15.985
  517   1HB   ARG  32          2HB       ARG  32   0.103 -14.672 -14.672
  518   2HB   ARG  32          1HB       ARG  32   1.156 -15.243 -15.243
  519   1HG   ARG  32          2HG       ARG  32   2.993 -13.991 -13.991
  520   2HG   ARG  32          1HG       ARG  32   1.573 -13.029 -13.029
  521   1HD   ARG  32          2HD       ARG  32   2.204 -11.883 -11.883
  522   2HD   ARG  32          1HD       ARG  32   1.235 -13.131 -13.131
  523    HE   ARG  32           HE       ARG  32   3.966 -13.949 -13.949
  524   1HH1  ARG  32          1HH1      ARG  32   1.820 -11.979 -11.979
  525   2HH1  ARG  32          2HH1      ARG  32   2.815 -12.083 -12.083
  526   1HH2  ARG  32          1HH2      ARG  32   5.233 -14.060 -14.060
  527   2HH2  ARG  32          2HH2      ARG  32   4.732 -13.251 -13.251
  528    H    ALA  33           H        ALA  33  -0.520 -17.341 -17.341
  529    HA   ALA  33           HA       ALA  33  -0.307 -19.151 -19.151
  530   1HB   ALA  33          1HB       ALA  33  -2.089 -19.166 -19.166
  531   2HB   ALA  33          3HB       ALA  33  -2.235 -20.311 -20.311
  532   3HB   ALA  33          2HB       ALA  33  -2.503 -18.589 -18.589
  533    H    LEU  34           H        LEU  34   0.442 -19.317 -19.317
  534    HA   LEU  34           HA       LEU  34   1.136 -22.140 -22.140
  535   1HB   LEU  34          2HB       LEU  34   1.200 -20.075 -20.075
  536   2HB   LEU  34          1HB       LEU  34   1.926 -21.671 -21.671
  537    HG   LEU  34           HG       LEU  34  -0.906 -21.380 -21.380
  538   1HD1  LEU  34          3HD1      LEU  34   0.166 -21.052 -21.052
  539   2HD1  LEU  34          2HD1      LEU  34  -1.334 -21.957 -21.957
  540   3HD1  LEU  34          1HD1      LEU  34  -1.229 -20.286 -20.286
  541   1HD2  LEU  34          1HD2      LEU  34   0.831 -23.527 -23.527
  542   2HD2  LEU  34          3HD2      LEU  34  -0.185 -23.593 -23.593
  543   3HD2  LEU  34          2HD2      LEU  34  -0.922 -23.633 -23.633
  544   1HN   NH2  35          1HT       LEU  34   3.161 -22.816 -22.816
  545   2HN   NH2  35          2HT       LEU  34   4.577 -21.883 -21.883

  Start of MODEL   26
    1   1H    ACE   2          1HA       ACE   2   1.286  26.748  26.748
    2   2H    ACE   2          2HA       ACE   2   2.557  27.177  27.177
    3   3H    ACE   2          3HA       ACE   2   2.841  27.340  27.340
    4    H    CYS   3           H        CYS   3   1.281  24.745  24.745
    5    HA   CYS   3           HA       CYS   3   1.761  22.514  22.514
    6   1HB   CYS   3          2HB       CYS   3   3.058  23.102  23.102
    7   2HB   CYS   3          1HB       CYS   3   3.258  21.521  21.521
    8    H    GLY   4           H        GLY   4   2.939  23.100  23.100
    9   1HA   GLY   4          2HA       GLY   4   5.871  22.786  22.786
   10   2HA   GLY   4          1HA       GLY   4   5.125  23.768  23.768
   11    H    GLY   5           H        GLY   5   3.567  22.559  22.559
   12   1HA   GLY   5          2HA       GLY   5   4.902  20.448  20.448
   13   2HA   GLY   5          1HA       GLY   5   3.230  20.922  20.922
   14    H    VAL   6           H        VAL   6   2.449  20.491  20.491
   15    HA   VAL   6           HA       VAL   6   1.588  17.811  17.811
   16    HB   VAL   6           HB       VAL   6   1.817  19.472  19.472
   17   1HG1  VAL   6          3HG1      VAL   6   1.285  17.052  17.052
   18   2HG1  VAL   6          2HG1      VAL   6  -0.095  17.257  17.257
   19   3HG1  VAL   6          1HG1      VAL   6  -0.059  18.090  18.090
   20   1HG2  VAL   6          3HG2      VAL   6  -0.231  19.449  19.449
   21   2HG2  VAL   6          2HG2      VAL   6   0.625  20.836  20.836
   22   3HG2  VAL   6          1HG2      VAL   6  -0.621  20.022  20.022
   23    H    GLN   7           H        GLN   7   4.418  19.296  19.296
   24    HA   GLN   7           HA       GLN   7   5.245  17.193  17.193
   25   1HB   GLN   7          2HB       GLN   7   6.834  19.285  19.285
   26   2HB   GLN   7          1HB       GLN   7   7.554  18.161  18.161
   27   1HG   GLN   7          2HG       GLN   7   5.170  19.844  19.844
   28   2HG   GLN   7          1HG       GLN   7   6.811  20.480  20.480
   29   1HE2  GLN   7          2HE2      GLN   7   5.573  18.436  18.436
   30   2HE2  GLN   7          1HE2      GLN   7   4.651  19.428  19.428
   31    H    ALA   8           H        ALA   8   5.738  17.785  17.785
   32    HA   ALA   8           HA       ALA   8   7.547  15.600  15.600
   33   1HB   ALA   8          3HB       ALA   8   7.152  17.673  17.673
   34   2HB   ALA   8          2HB       ALA   8   5.801  16.744  16.744
   35   3HB   ALA   8          1HB       ALA   8   7.443  16.113  16.113
   36    H    GLU   9           H        GLU   9   4.064  16.067  16.067
   37    HA   GLU   9           HA       GLU   9   3.559  13.483  13.483
   38   1HB   GLU   9          2HB       GLU   9   2.010  15.473  15.473
   39   2HB   GLU   9          1HB       GLU   9   1.603  15.200  15.200
   40   1HG   GLU   9          2HG       GLU   9  -0.066  13.984  13.984
   41   2HG   GLU   9          1HG       GLU   9   1.143  12.742  12.742
   42    H    GLU  10           H        GLU  10   3.504  14.814  14.814
   43    HA   GLU  10           HA       GLU  10   2.430  12.521  12.521
   44   1HB   GLU  10          2HB       GLU  10   2.857  14.992  14.992
   45   2HB   GLU  10          1HB       GLU  10   4.373  14.285  14.285
   46   1HG   GLU  10          2HG       GLU  10   3.250  12.685  12.685
   47   2HG   GLU  10          1HG       GLU  10   1.703  12.987  12.987
   48    H    GLN  11           H        GLN  11   5.684  13.489  13.489
   49    HA   GLN  11           HA       GLN  11   7.108  11.556  11.556
   50   1HB   GLN  11          2HB       GLN  11   8.069  13.590  13.590
   51   2HB   GLN  11          1HB       GLN  11   7.963  12.643  12.643
   52   1HG   GLN  11          2HG       GLN  11   9.506  11.028  11.028
   53   2HG   GLN  11          1HG       GLN  11   9.339  11.557  11.557
   54   1HE2  GLN  11          2HE2      GLN  11  12.450  13.002  13.002
   55   2HE2  GLN  11          1HE2      GLN  11  11.808  11.431  11.431
   56    H    LYS  12           H        LYS  12   5.495  11.463  11.463
   57    HA   LYS  12           HA       LYS  12   6.581   8.894   8.894
   58   1HB   LYS  12          2HB       LYS  12   4.295  10.529  10.529
   59   2HB   LYS  12          1HB       LYS  12   4.859   9.007   9.007
   60   1HG   LYS  12          2HG       LYS  12   6.787  11.263  11.263
   61   2HG   LYS  12          1HG       LYS  12   5.824  11.223  11.223
   62   1HD   LYS  12          2HD       LYS  12   6.747   9.092   9.092
   63   2HD   LYS  12          1HD       LYS  12   7.537   8.905   8.905
   64   1HE   LYS  12          2HE       LYS  12   8.196  11.364  11.364
   65   2HE   LYS  12          1HE       LYS  12   8.836   9.844   9.844
   66   1HZ   LYS  12          3HZ       LYS  12   9.128  10.743  10.743
   67   2HZ   LYS  12          2HZ       LYS  12  10.312  10.969  10.969
   68   3HZ   LYS  12          1HZ       LYS  12   9.867   9.400   9.400
   69    H    LEU  13           H        LEU  13   3.615  10.116  10.116
   70    HA   LEU  13           HA       LEU  13   2.111   7.724   7.724
   71   1HB   LEU  13          2HB       LEU  13   2.013  10.182  10.182
   72   2HB   LEU  13          1HB       LEU  13   0.998   8.792   8.792
   73    HG   LEU  13           HG       LEU  13   1.085  10.036  10.036
   74   1HD1  LEU  13          2HD1      LEU  13   0.309  11.633  11.633
   75   2HD1  LEU  13          1HD1      LEU  13  -1.011  10.509  10.509
   76   3HD1  LEU  13          3HD1      LEU  13  -0.879  11.297  11.297
   77   1HD2  LEU  13          2HD2      LEU  13  -0.436   7.874   7.874
   78   2HD2  LEU  13          1HD2      LEU  13   0.072   7.990   7.990
   79   3HD2  LEU  13          3HD2      LEU  13  -1.338   8.889   8.889
   80    H    ILE  14           H        ILE  14   4.078   9.118   9.118
   81    HA   ILE  14           HA       ILE  14   3.781   6.953   6.953
   82    HB   ILE  14           HB       ILE  14   6.079   8.920   8.920
   83   1HG1  ILE  14          2HG1      ILE  14   3.571   9.014   9.014
   84   2HG1  ILE  14          1HG1      ILE  14   3.804   9.948   9.948
   85   1HG2  ILE  14          1HG2      ILE  14   5.234   6.906   6.906
   86   2HG2  ILE  14          3HG2      ILE  14   6.061   8.382   8.382
   87   3HG2  ILE  14          2HG2      ILE  14   6.851   7.259   7.259
   88   1HD1  ILE  14          1HD1      ILE  14   5.658  10.086  10.086
   89   2HD1  ILE  14          3HD1      ILE  14   4.343  11.224  11.224
   90   3HD1  ILE  14          2HD1      ILE  14   5.690  11.122  11.122
   91    H    SER  15           H        SER  15   6.341   7.727   7.727
   92    HA   SER  15           HA       SER  15   8.038   5.572   5.572
   93   1HB   SER  15          2HB       SER  15   7.543   7.025   7.025
   94   2HB   SER  15          1HB       SER  15   8.852   5.876   5.876
   95    HG   SER  15           HG       SER  15   9.202   8.261   8.261
   96    H    GLU  16           H        GLU  16   5.553   5.827   5.827
   97    HA   GLU  16           HA       GLU  16   5.774   3.156   3.156
   98   1HB   GLU  16          2HB       GLU  16   3.490   5.133   5.133
   99   2HB   GLU  16          1HB       GLU  16   3.452   3.550   3.550
  100   1HG   GLU  16          2HG       GLU  16   5.249   4.085   4.085
  101   2HG   GLU  16          1HG       GLU  16   5.731   5.473   5.473
  102    H    GLU  17           H        GLU  17   3.735   4.688   4.688
  103    HA   GLU  17           HA       GLU  17   2.138   2.414   2.414
  104   1HB   GLU  17          2HB       GLU  17   1.611   4.783   4.783
  105   2HB   GLU  17          1HB       GLU  17   2.863   4.646   4.646
  106   1HG   GLU  17          2HG       GLU  17   1.652   2.599   2.599
  107   2HG   GLU  17          1HG       GLU  17   0.335   2.996   2.996
  108    H    ASP  18           H        ASP  18   5.287   3.501   3.501
  109    HA   ASP  18           HA       ASP  18   5.565   1.867   1.867
  110   1HB   ASP  18          2HB       ASP  18   7.094   3.779   3.779
  111   2HB   ASP  18          1HB       ASP  18   7.866   2.532   2.532
  112    H    LEU  19           H        LEU  19   6.334   1.301   1.301
  113    HA   LEU  19           HA       LEU  19   7.529  -1.238  -1.238
  114   1HB   LEU  19          2HB       LEU  19   6.237   0.223   0.223
  115   2HB   LEU  19          1HB       LEU  19   6.567  -1.499  -1.499
  116    HG   LEU  19           HG       LEU  19   8.942  -0.963  -0.963
  117   1HD1  LEU  19          1HD1      LEU  19   8.366   1.297   1.297
  118   2HD1  LEU  19          3HD1      LEU  19   8.047   1.829   1.829
  119   3HD1  LEU  19          2HD1      LEU  19   9.678   1.352   1.352
  120   1HD2  LEU  19          2HD2      LEU  19   7.993  -1.268  -1.268
  121   2HD2  LEU  19          1HD2      LEU  19   9.650  -0.717  -0.717
  122   3HD2  LEU  19          3HD2      LEU  19   8.382   0.447   0.447
  123    H    LEU  20           H        LEU  20   4.201  -0.373  -0.373
  124    HA   LEU  20           HA       LEU  20   3.185  -3.005  -3.005
  125   1HB   LEU  20          2HB       LEU  20   1.997  -0.272  -0.272
  126   2HB   LEU  20          1HB       LEU  20   0.967  -1.635  -1.635
  127    HG   LEU  20           HG       LEU  20   2.603  -1.568  -1.568
  128   1HD1  LEU  20          3HD1      LEU  20   0.817   0.282   0.282
  129   2HD1  LEU  20          2HD1      LEU  20  -0.363  -1.028  -1.028
  130   3HD1  LEU  20          1HD1      LEU  20   0.713  -0.751  -0.751
  131   1HD2  LEU  20          3HD2      LEU  20   0.548  -3.365  -3.365
  132   2HD2  LEU  20          2HD2      LEU  20   2.007  -3.786  -3.786
  133   3HD2  LEU  20          1HD2      LEU  20   0.578  -3.213  -3.213
  134    H    ARG  21           H        ARG  21   3.660  -0.663  -0.663
  135    HA   ARG  21           HA       ARG  21   2.034  -1.829  -1.829
  136   1HB   ARG  21          2HB       ARG  21   4.429  -0.033  -0.033
  137   2HB   ARG  21          1HB       ARG  21   3.872  -0.751  -0.751
  138   1HG   ARG  21          2HG       ARG  21   1.801   0.335   0.335
  139   2HG   ARG  21          1HG       ARG  21   1.904   0.590   0.590
  140   1HD   ARG  21          2HD       ARG  21   2.276   2.682   2.682
  141   2HD   ARG  21          1HD       ARG  21   3.647   2.254   2.254
  142    HE   ARG  21           HE       ARG  21   4.151   1.098   1.098
  143   1HH1  ARG  21          1HH1      ARG  21   3.601   4.326   4.326
  144   2HH1  ARG  21          2HH1      ARG  21   4.575   5.082   5.082
  145   1HH2  ARG  21          1HH2      ARG  21   5.412   2.123   2.123
  146   2HH2  ARG  21          2HH2      ARG  21   5.592   3.847   3.847
  147    H    LYS  22           H        LYS  22   5.431  -2.351  -2.351
  148    HA   LYS  22           HA       LYS  22   6.060  -4.181  -4.181
  149   1HB   LYS  22          2HB       LYS  22   7.573  -2.981  -2.981
  150   2HB   LYS  22          1HB       LYS  22   7.297  -4.478  -4.478
  151   1HG   LYS  22          2HG       LYS  22   8.013  -5.732  -5.732
  152   2HG   LYS  22          1HG       LYS  22   8.518  -4.180  -4.180
  153   1HD   LYS  22          2HD       LYS  22  10.505  -4.834  -4.834
  154   2HD   LYS  22          1HD       LYS  22   9.772  -3.987  -3.987
  155   1HE   LYS  22          2HE       LYS  22   9.221  -5.955  -5.955
  156   2HE   LYS  22          1HE       LYS  22   9.175  -6.900  -6.900
  157   1HZ   LYS  22          2HZ       LYS  22  11.613  -6.587  -6.587
  158   2HZ   LYS  22          1HZ       LYS  22  11.586  -5.864  -5.864
  159   3HZ   LYS  22          3HZ       LYS  22  11.128  -7.487  -7.487
  160    H    ARG  23           H        ARG  23   4.497  -4.557  -4.557
  161    HA   ARG  23           HA       ARG  23   4.637  -7.403  -7.403
  162   1HB   ARG  23          2HB       ARG  23   3.142  -5.268  -5.268
  163   2HB   ARG  23          1HB       ARG  23   2.469  -6.898  -6.898
  164   1HG   ARG  23          2HG       ARG  23   5.376  -6.324  -6.324
  165   2HG   ARG  23          1HG       ARG  23   4.128  -6.308  -6.308
  166   1HD   ARG  23          2HD       ARG  23   4.858  -8.638  -8.638
  167   2HD   ARG  23          1HD       ARG  23   5.163  -8.512  -8.512
  168    HE   ARG  23           HE       ARG  23   2.661  -9.215  -9.215
  169   1HH1  ARG  23          1HH1      ARG  23   4.150  -7.845  -7.845
  170   2HH1  ARG  23          2HH1      ARG  23   2.816  -8.244  -8.244
  171   1HH2  ARG  23          1HH2      ARG  23   0.943  -9.718  -9.718
  172   2HH2  ARG  23          2HH2      ARG  23   1.016  -9.295  -9.295
  173    H    ARG  24           H        ARG  24   2.308  -5.104  -5.104
  174    HA   ARG  24           HA       ARG  24   0.399  -7.158  -7.158
  175   1HB   ARG  24          2HB       ARG  24  -0.251  -4.789  -4.789
  176   2HB   ARG  24          1HB       ARG  24   0.505  -4.295  -4.295
  177   1HG   ARG  24          2HG       ARG  24  -1.090  -5.376  -5.376
  178   2HG   ARG  24          1HG       ARG  24  -1.511  -6.518  -6.518
  179   1HD   ARG  24          2HD       ARG  24  -3.341  -4.981  -4.981
  180   2HD   ARG  24          1HD       ARG  24  -2.460  -4.563  -4.563
  181    HE   ARG  24           HE       ARG  24  -1.354  -2.980  -2.980
  182   1HH1  ARG  24          1HH1      ARG  24  -4.566  -3.494  -3.494
  183   2HH1  ARG  24          2HH1      ARG  24  -5.083  -1.878  -1.878
  184   1HH2  ARG  24          1HH2      ARG  24  -2.068  -0.885  -0.885
  185   2HH2  ARG  24          2HH2      ARG  24  -3.683  -0.412  -0.412
  186    H    GLU  25           H        GLU  25   3.006  -5.397  -5.397
  187    HA   GLU  25           HA       GLU  25   2.419  -5.980  -5.980
  188   1HB   GLU  25          2HB       GLU  25   4.912  -5.286  -5.286
  189   2HB   GLU  25          1HB       GLU  25   5.049  -5.858  -5.858
  190   1HG   GLU  25          2HG       GLU  25   3.016  -3.749  -3.749
  191   2HG   GLU  25          1HG       GLU  25   4.713  -3.272  -3.272
  192    H    GLN  26           H        GLN  26   4.317  -7.752  -7.752
  193    HA   GLN  26           HA       GLN  26   5.063  -9.870  -9.870
  194   1HB   GLN  26          2HB       GLN  26   5.204  -9.409  -9.409
  195   2HB   GLN  26          1HB       GLN  26   5.395 -11.054 -11.054
  196   1HG   GLN  26          2HG       GLN  26   7.020  -9.767  -9.767
  197   2HG   GLN  26          1HG       GLN  26   7.174  -8.691  -8.691
  198   1HE2  GLN  26          2HE2      GLN  26   8.880 -12.375 -12.375
  199   2HE2  GLN  26          1HE2      GLN  26   7.973 -11.870 -11.870
  200    H    LEU  27           H        LEU  27   2.434  -9.333  -9.333
  201    HA   LEU  27           HA       LEU  27   1.379 -11.983 -11.983
  202   1HB   LEU  27          2HB       LEU  27   0.248  -9.325  -9.325
  203   2HB   LEU  27          1HB       LEU  27  -0.743 -10.784 -10.784
  204    HG   LEU  27           HG       LEU  27   1.936 -10.736 -10.736
  205   1HD1  LEU  27          2HD1      LEU  27  -0.772 -10.013 -10.013
  206   2HD1  LEU  27          1HD1      LEU  27   0.696 -10.282 -10.282
  207   3HD1  LEU  27          3HD1      LEU  27   0.603  -8.924  -8.924
  208   1HD2  LEU  27          3HD2      LEU  27  -0.550 -12.453 -12.453
  209   2HD2  LEU  27          2HD2      LEU  27   1.104 -12.944 -12.944
  210   3HD2  LEU  27          1HD2      LEU  27   0.654 -12.516 -12.516
  211    H    LYS  28           H        LYS  28   0.654  -8.973  -8.973
  212    HA   LYS  28           HA       LYS  28  -1.566  -9.908  -9.908
  213   1HB   LYS  28          2HB       LYS  28  -0.453  -7.492  -7.492
  214   2HB   LYS  28          1HB       LYS  28   0.288  -7.957  -7.957
  215   1HG   LYS  28          2HG       LYS  28  -1.706  -6.964  -6.964
  216   2HG   LYS  28          1HG       LYS  28  -2.150  -8.669  -8.669
  217   1HD   LYS  28          2HD       LYS  28  -3.902  -7.820  -7.820
  218   2HD   LYS  28          1HD       LYS  28  -2.735  -8.017  -8.017
  219   1HE   LYS  28          2HE       LYS  28  -2.380  -5.763  -5.763
  220   2HE   LYS  28          1HE       LYS  28  -2.583  -5.467  -5.467
  221   1HZ   LYS  28          2HZ       LYS  28  -4.767  -6.065  -6.065
  222   2HZ   LYS  28          1HZ       LYS  28  -4.411  -4.536  -4.536
  223   3HZ   LYS  28          3HZ       LYS  28  -4.963  -5.780  -5.780
  224    H    HIS  29           H        HIS  29   1.902 -10.097 -10.097
  225    HA   HIS  29           HA       HIS  29   1.834 -10.977 -10.977
  226   1HB   HIS  29          2HB       HIS  29   3.844 -11.308 -11.308
  227   2HB   HIS  29          1HB       HIS  29   4.096 -12.031 -12.031
  228    HD1  HIS  29           HD1      HIS  29   2.949  -9.785  -9.785
  229    HD2  HIS  29           HD2      HIS  29   5.541  -9.104  -9.104
  230    HE1  HIS  29           HE1      HIS  29   4.055  -7.548  -7.548
  231    H    LYS  30           H        LYS  30   1.768 -12.728 -12.728
  232    HA   LYS  30           HA       LYS  30   1.906 -15.340 -15.340
  233   1HB   LYS  30          2HB       LYS  30   1.027 -14.148 -14.148
  234   2HB   LYS  30          1HB       LYS  30   0.516 -15.798 -15.798
  235   1HG   LYS  30          2HG       LYS  30   2.591 -16.076 -16.076
  236   2HG   LYS  30          1HG       LYS  30   2.992 -16.225 -16.225
  237   1HD   LYS  30          2HD       LYS  30   3.441 -13.685 -13.685
  238   2HD   LYS  30          1HD       LYS  30   3.440 -13.864 -13.864
  239   1HE   LYS  30          2HE       LYS  30   5.295 -15.359 -15.359
  240   2HE   LYS  30          1HE       LYS  30   5.149 -15.599 -15.599
  241   1HZ   LYS  30          2HZ       LYS  30   5.725 -13.270 -13.270
  242   2HZ   LYS  30          1HZ       LYS  30   5.894 -13.061 -13.061
  243   3HZ   LYS  30          3HZ       LYS  30   6.953 -14.090 -14.090
  244    H    LEU  31           H        LEU  31  -0.894 -13.365 -13.365
  245    HA   LEU  31           HA       LEU  31  -2.851 -15.258 -15.258
  246   1HB   LEU  31          2HB       LEU  31  -3.000 -13.050 -13.050
  247   2HB   LEU  31          1HB       LEU  31  -3.515 -12.357 -12.357
  248    HG   LEU  31           HG       LEU  31  -5.037 -14.525 -14.525
  249   1HD1  LEU  31          1HD1      LEU  31  -3.839 -15.072 -15.072
  250   2HD1  LEU  31          3HD1      LEU  31  -5.194 -14.115 -14.115
  251   3HD1  LEU  31          2HD1      LEU  31  -5.493 -15.571 -15.571
  252   1HD2  LEU  31          2HD2      LEU  31  -5.461 -11.958 -11.958
  253   2HD2  LEU  31          1HD2      LEU  31  -6.108 -12.430 -12.430
  254   3HD2  LEU  31          3HD2      LEU  31  -6.747 -13.159 -13.159
  255    H    GLU  32           H        GLU  32  -1.425 -12.400 -12.400
  256    HA   GLU  32           HA       GLU  32  -3.000 -12.425 -12.425
  257   1HB   GLU  32          2HB       GLU  32  -0.281 -11.324 -11.324
  258   2HB   GLU  32          1HB       GLU  32  -0.901 -11.252 -11.252
  259   1HG   GLU  32          2HG       GLU  32  -2.988 -10.166 -10.166
  260   2HG   GLU  32          1HG       GLU  32  -2.166 -10.063 -10.063
  261    H    GLN  33           H        GLN  33   0.294 -13.682 -13.682
  262    HA   GLN  33           HA       GLN  33   0.575 -14.909 -14.909
  263   1HB   GLN  33          2HB       GLN  33   2.323 -14.454 -14.454
  264   2HB   GLN  33          1HB       GLN  33   1.896 -16.100 -16.100
  265   1HG   GLN  33          2HG       GLN  33   3.619 -16.532 -16.532
  266   2HG   GLN  33          1HG       GLN  33   2.236 -16.574 -16.574
  267   1HE2  GLN  33          2HE2      GLN  33   5.102 -13.912 -13.912
  268   2HE2  GLN  33          1HE2      GLN  33   5.293 -15.286 -15.286
  269    H    LEU  34           H        LEU  34  -0.404 -16.246 -16.246
  270    HA   LEU  34           HA       LEU  34  -1.639 -18.512 -18.512
  271   1HB   LEU  34          2HB       LEU  34  -0.205 -18.550 -18.550
  272   2HB   LEU  34          1HB       LEU  34  -1.166 -19.889 -19.889
  273    HG   LEU  34           HG       LEU  34   0.983 -18.701 -18.701
  274   1HD1  LEU  34          1HD1      LEU  34   1.863 -19.237 -19.237
  275   2HD1  LEU  34          3HD1      LEU  34   1.540 -20.924 -20.924
  276   3HD1  LEU  34          2HD1      LEU  34   2.693 -19.995 -19.995
  277   1HD2  LEU  34          2HD2      LEU  34  -0.234 -21.456 -21.456
  278   2HD2  LEU  34          1HD2      LEU  34  -0.499 -20.358 -20.358
  279   3HD2  LEU  34          3HD2      LEU  34   1.084 -21.100 -21.100
  280   1HN   NH2  35          1HT       LEU  34  -3.843 -18.626 -18.626
  281   2HN   NH2  35          2HT       LEU  34  -4.657 -17.946 -17.946
  282   1H    ACE   2          1HA       ACE   2   5.116  23.234  23.234
  283   2H    ACE   2          2HA       ACE   2   5.404  22.495  22.495
  284   3H    ACE   2          3HA       ACE   2   6.668  22.470  22.470
  285    H    CYS   3           H        CYS   3   3.191  21.661  21.661
  286    HA   CYS   3           HA       CYS   3   3.867  18.950  18.950
  287   1HB   CYS   3          2HB       CYS   3   1.884  19.055  19.055
  288   2HB   CYS   3          1HB       CYS   3   3.176  20.162  20.162
  289    H    GLY   4           H        GLY   4   2.787  17.358  17.358
  290   1HA   GLY   4          2HA       GLY   4   0.772  18.128  18.128
  291   2HA   GLY   4          1HA       GLY   4   1.694  16.626  16.626
  292    H    GLY   5           H        GLY   5  -1.300  17.836  17.836
  293   1HA   GLY   5          2HA       GLY   5  -3.252  16.997  16.997
  294   2HA   GLY   5          1HA       GLY   5  -2.410  15.457  15.457
  295    H    MET   6           H        MET   6  -3.242  18.439  18.439
  296    HA   MET   6           HA       MET   6  -1.827  17.988  17.988
  297   1HB   MET   6          2HB       MET   6  -2.813  20.186  20.186
  298   2HB   MET   6          1HB       MET   6  -4.405  19.536  19.536
  299   1HG   MET   6          2HG       MET   6  -3.504  19.020  19.020
  300   2HG   MET   6          1HG       MET   6  -2.089  19.979  19.979
  301   1HE   MET   6          2HE       MET   6  -2.052  22.138  22.138
  302   2HE   MET   6          1HE       MET   6  -3.083  23.470  23.470
  303   3HE   MET   6          3HE       MET   6  -2.102  22.591  22.591
  304    H    ARG   7           H        ARG   7  -5.357  17.798  17.798
  305    HA   ARG   7           HA       ARG   7  -5.566  15.962  15.962
  306   1HB   ARG   7          2HB       ARG   7  -7.398  17.748  17.748
  307   2HB   ARG   7          1HB       ARG   7  -8.115  16.215  16.215
  308   1HG   ARG   7          2HG       ARG   7  -6.551  17.999  17.999
  309   2HG   ARG   7          1HG       ARG   7  -8.303  18.078  18.078
  310   1HD   ARG   7          2HD       ARG   7  -7.787  15.355  15.355
  311   2HD   ARG   7          1HD       ARG   7  -6.674  16.137  16.137
  312    HE   ARG   7           HE       ARG   7  -8.496  16.782  16.782
  313   1HH1  ARG   7          1HH1      ARG   7  -9.591  15.772  15.772
  314   2HH1  ARG   7          2HH1      ARG   7 -11.264  15.830  15.830
  315   1HH2  ARG   7          1HH2      ARG   7 -10.688  16.842  16.842
  316   2HH2  ARG   7          2HH2      ARG   7 -11.881  16.430  16.430
  317    H    ARG   8           H        ARG   8  -6.055  15.988  15.988
  318    HA   ARG   8           HA       ARG   8  -7.310  13.484  13.484
  319   1HB   ARG   8          2HB       ARG   8  -6.473  13.496  13.496
  320   2HB   ARG   8          1HB       ARG   8  -7.237  15.017  15.017
  321   1HG   ARG   8          2HG       ARG   8  -4.730  15.628  15.628
  322   2HG   ARG   8          1HG       ARG   8  -4.359  14.425  14.425
  323   1HD   ARG   8          2HD       ARG   8  -6.426  16.113  16.113
  324   2HD   ARG   8          1HD       ARG   8  -5.165  17.147  17.147
  325    HE   ARG   8           HE       ARG   8  -3.778  15.310  15.310
  326   1HH1  ARG   8          1HH1      ARG   8  -6.465  17.445  17.445
  327   2HH1  ARG   8          2HH1      ARG   8  -6.046  17.623  17.623
  328   1HH2  ARG   8          1HH2      ARG   8  -3.266  15.570  15.570
  329   2HH2  ARG   8          2HH2      ARG   8  -4.251  16.572  16.572
  330    H    LYS   9           H        LYS   9  -3.868  14.349  14.349
  331    HA   LYS   9           HA       LYS   9  -3.037  11.602  11.602
  332   1HB   LYS   9          2HB       LYS   9  -1.770  13.853  13.853
  333   2HB   LYS   9          1HB       LYS   9  -1.166  13.671  13.671
  334   1HG   LYS   9          2HG       LYS   9   0.416  12.390  12.390
  335   2HG   LYS   9          1HG       LYS   9  -0.817  11.144  11.144
  336   1HD   LYS   9          2HD       LYS   9  -1.705  11.690  11.690
  337   2HD   LYS   9          1HD       LYS   9  -0.410  12.870  12.870
  338   1HE   LYS   9          2HE       LYS   9   0.181   9.989   9.989
  339   2HE   LYS   9          1HE       LYS   9  -0.025  10.522  10.522
  340   1HZ   LYS   9          1HZ       LYS   9   1.826  11.899  11.899
  341   2HZ   LYS   9          3HZ       LYS   9   2.315  10.538  10.538
  342   3HZ   LYS   9          2HZ       LYS   9   1.799  11.938  11.938
  343    H    ASN  10           H        ASN  10  -3.342  13.864  13.864
  344    HA   ASN  10           HA       ASN  10  -2.081  12.171  12.171
  345   1HB   ASN  10          2HB       ASN  10  -3.865  14.586  14.586
  346   2HB   ASN  10          1HB       ASN  10  -3.398  13.683  13.683
  347   1HD2  ASN  10          2HD2      ASN  10  -0.312  15.340  15.340
  348   2HD2  ASN  10          1HD2      ASN  10  -1.612  14.627  14.627
  349    H    ASP  11           H        ASP  11  -5.369  12.583  12.583
  350    HA   ASP  11           HA       ASP  11  -6.646  11.055  11.055
  351   1HB   ASP  11          2HB       ASP  11  -7.818  12.644  12.644
  352   2HB   ASP  11          1HB       ASP  11  -7.599  11.455  11.455
  353    H    THR  12           H        THR  12  -5.615  10.264  10.264
  354    HA   THR  12           HA       THR  12  -6.394   7.556   7.556
  355    HB   THR  12           HB       THR  12  -5.823   8.676   8.676
  356    HG1  THR  12           HG1      THR  12  -5.017   6.900   6.900
  357   1HG2  THR  12          2HG2      THR  12  -3.013   8.753   8.753
  358   2HG2  THR  12          1HG2      THR  12  -3.446   9.177   9.177
  359   3HG2  THR  12          3HG2      THR  12  -4.048  10.148  10.148
  360    H    HIS  13           H        HIS  13  -3.513   9.196   9.196
  361    HA   HIS  13           HA       HIS  13  -1.836   6.962   6.962
  362   1HB   HIS  13          2HB       HIS  13  -1.979   9.700   9.700
  363   2HB   HIS  13          1HB       HIS  13  -0.925   8.500   8.500
  364    HD1  HIS  13           HD1      HIS  13   0.160   7.027   7.027
  365    HD2  HIS  13           HD2      HIS  13  -0.227  11.177  11.177
  366    HE1  HIS  13           HE1      HIS  13   1.780   7.950   7.950
  367    H    GLN  14           H        GLN  14  -4.217   8.481   8.481
  368    HA   GLN  14           HA       GLN  14  -3.717   6.875   6.875
  369   1HB   GLN  14          2HB       GLN  14  -5.202   9.068   9.068
  370   2HB   GLN  14          1HB       GLN  14  -6.481   7.858   7.858
  371   1HG   GLN  14          2HG       GLN  14  -5.446   6.877   6.877
  372   2HG   GLN  14          1HG       GLN  14  -4.632   8.436   8.436
  373   1HE2  GLN  14          2HE2      GLN  14  -7.586   9.383   9.383
  374   2HE2  GLN  14          1HE2      GLN  14  -5.961   8.922   8.922
  375    H    GLN  15           H        GLN  15  -6.397   6.690   6.690
  376    HA   GLN  15           HA       GLN  15  -7.494   4.288   4.288
  377   1HB   GLN  15          2HB       GLN  15  -8.547   4.105   4.105
  378   2HB   GLN  15          1HB       GLN  15  -8.712   5.721   5.721
  379   1HG   GLN  15          2HG       GLN  15  -6.714   6.439   6.439
  380   2HG   GLN  15          1HG       GLN  15  -6.681   4.844   4.844
  381   1HE2  GLN  15          2HE2      GLN  15  -9.545   5.456   5.456
  382   2HE2  GLN  15          1HE2      GLN  15  -8.584   4.238   4.238
  383    H    ASP  16           H        ASP  16  -4.958   4.869   4.869
  384    HA   ASP  16           HA       ASP  16  -4.693   2.259   2.259
  385   1HB   ASP  16          2HB       ASP  16  -3.560   4.301   4.301
  386   2HB   ASP  16          1HB       ASP  16  -2.430   4.221   4.221
  387    H    ILE  17           H        ILE  17  -3.211   3.819   3.819
  388    HA   ILE  17           HA       ILE  17  -1.490   1.717   1.717
  389    HB   ILE  17           HB       ILE  17  -2.760   4.011   4.011
  390   1HG1  ILE  17          2HG1      ILE  17   0.160   3.327   3.327
  391   2HG1  ILE  17          1HG1      ILE  17  -0.734   4.144   4.144
  392   1HG2  ILE  17          2HG2      ILE  17  -1.423   1.616   1.616
  393   2HG2  ILE  17          1HG2      ILE  17  -0.979   3.194   3.194
  394   3HG2  ILE  17          3HG2      ILE  17  -2.660   2.666   2.666
  395   1HD1  ILE  17          3HD1      ILE  17  -1.473   5.816   5.816
  396   2HD1  ILE  17          2HD1      ILE  17  -0.209   5.110   5.110
  397   3HD1  ILE  17          1HD1      ILE  17   0.213   5.898   5.898
  398    H    ASP  18           H        ASP  18  -4.341   2.626   2.626
  399    HA   ASP  18           HA       ASP  18  -4.674   0.337   0.337
  400   1HB   ASP  18          2HB       ASP  18  -6.481   2.512   2.512
  401   2HB   ASP  18          1HB       ASP  18  -7.287   1.030   1.030
  402    H    ASP  19           H        ASP  19  -5.552   0.849   0.849
  403    HA   ASP  19           HA       ASP  19  -7.208  -1.497  -1.497
  404   1HB   ASP  19          2HB       ASP  19  -7.376   0.489   0.489
  405   2HB   ASP  19          1HB       ASP  19  -5.822   0.021   0.021
  406    H    LEU  20           H        LEU  20  -3.826  -0.699  -0.699
  407    HA   LEU  20           HA       LEU  20  -3.070  -3.062  -3.062
  408   1HB   LEU  20          2HB       LEU  20  -1.561  -1.066  -1.066
  409   2HB   LEU  20          1HB       LEU  20  -0.765  -2.506  -2.506
  410    HG   LEU  20           HG       LEU  20  -2.399  -0.803  -0.803
  411   1HD1  LEU  20          2HD1      LEU  20   0.268  -0.141  -0.141
  412   2HD1  LEU  20          1HD1      LEU  20  -0.037   0.270   0.270
  413   3HD1  LEU  20          3HD1      LEU  20  -1.064   0.934   0.934
  414   1HD2  LEU  20          1HD2      LEU  20  -1.374  -3.067  -3.067
  415   2HD2  LEU  20          3HD2      LEU  20  -0.941  -1.732  -1.732
  416   3HD2  LEU  20          2HD2      LEU  20   0.202  -2.291  -2.291
  417    H    LYS  21           H        LYS  21  -3.206  -2.232  -2.232
  418    HA   LYS  21           HA       LYS  21  -2.047  -4.642  -4.642
  419   1HB   LYS  21          2HB       LYS  21  -3.608  -2.399  -2.399
  420   2HB   LYS  21          1HB       LYS  21  -3.533  -3.908  -3.908
  421   1HG   LYS  21          2HG       LYS  21  -1.039  -3.865  -3.865
  422   2HG   LYS  21          1HG       LYS  21  -1.177  -2.279  -2.279
  423   1HD   LYS  21          2HD       LYS  21  -2.647  -1.817  -1.817
  424   2HD   LYS  21          1HD       LYS  21  -1.566  -3.055  -3.055
  425   1HE   LYS  21          2HE       LYS  21   0.351  -1.688  -1.688
  426   2HE   LYS  21          1HE       LYS  21  -0.828  -0.391  -0.391
  427   1HZ   LYS  21          1HZ       LYS  21  -1.323  -0.878  -0.878
  428   2HZ   LYS  21          3HZ       LYS  21   0.220  -1.581  -1.581
  429   3HZ   LYS  21          2HZ       LYS  21   0.033   0.058   0.058
  430    H    ARG  22           H        ARG  22  -5.437  -3.581  -3.581
  431    HA   ARG  22           HA       ARG  22  -6.600  -5.978  -5.978
  432   1HB   ARG  22          2HB       ARG  22  -7.589  -3.684  -3.684
  433   2HB   ARG  22          1HB       ARG  22  -8.590  -5.117  -5.117
  434   1HG   ARG  22          2HG       ARG  22  -7.326  -3.814  -3.814
  435   2HG   ARG  22          1HG       ARG  22  -8.808  -3.142  -3.142
  436   1HD   ARG  22          2HD       ARG  22  -8.467  -6.040  -6.040
  437   2HD   ARG  22          1HD       ARG  22  -9.222  -4.812  -4.812
  438    HE   ARG  22           HE       ARG  22 -10.459  -4.884  -4.884
  439   1HH1  ARG  22          1HH1      ARG  22 -10.243  -6.656  -6.656
  440   2HH1  ARG  22          2HH1      ARG  22 -11.816  -7.355  -7.355
  441   1HH2  ARG  22          1HH2      ARG  22 -12.505  -5.817  -5.817
  442   2HH2  ARG  22          2HH2      ARG  22 -13.087  -6.886  -6.886
  443    H    GLN  23           H        GLN  23  -5.718  -4.867  -4.867
  444    HA   GLN  23           HA       GLN  23  -6.817  -7.102  -7.102
  445   1HB   GLN  23          2HB       GLN  23  -4.894  -4.914  -4.914
  446   2HB   GLN  23          1HB       GLN  23  -5.018  -6.312  -6.312
  447   1HG   GLN  23          2HG       GLN  23  -7.461  -4.804  -4.804
  448   2HG   GLN  23          1HG       GLN  23  -6.580  -4.339  -4.339
  449   1HE2  GLN  23          1HE2      GLN  23  -6.010  -6.568  -6.568
  450   2HE2  GLN  23          2HE2      GLN  23  -7.378  -7.534  -7.534
  451    H    ASN  24           H        ASN  24  -3.484  -6.277  -6.277
  452    HA   ASN  24           HA       ASN  24  -2.296  -8.666  -8.666
  453   1HB   ASN  24          2HB       ASN  24  -1.485  -6.631  -6.631
  454   2HB   ASN  24          1HB       ASN  24  -0.510  -8.069  -8.069
  455   1HD2  ASN  24          2HD2      ASN  24   0.508  -5.207  -5.207
  456   2HD2  ASN  24          1HD2      ASN  24   0.272  -5.281  -5.281
  457    H    ALA  25           H        ALA  25  -3.727  -7.767  -7.767
  458    HA   ALA  25           HA       ALA  25  -2.957 -10.028 -10.028
  459   1HB   ALA  25          2HB       ALA  25  -3.997  -7.967  -7.967
  460   2HB   ALA  25          1HB       ALA  25  -5.542  -8.479  -8.479
  461   3HB   ALA  25          3HB       ALA  25  -4.756  -9.460  -9.460
  462    H    LEU  26           H        LEU  26  -5.949  -9.409  -9.409
  463    HA   LEU  26           HA       LEU  26  -6.966 -12.064 -12.064
  464   1HB   LEU  26          2HB       LEU  26  -8.188  -9.775  -9.775
  465   2HB   LEU  26          1HB       LEU  26  -7.962 -10.419 -10.419
  466    HG   LEU  26           HG       LEU  26  -8.992 -12.286 -12.286
  467   1HD1  LEU  26          1HD1      LEU  26 -10.527  -9.975  -9.975
  468   2HD1  LEU  26          3HD1      LEU  26 -11.341 -11.452 -11.452
  469   3HD1  LEU  26          2HD1      LEU  26 -10.443 -10.479 -10.479
  470   1HD2  LEU  26          2HD2      LEU  26  -8.490 -12.546 -12.546
  471   2HD2  LEU  26          1HD2      LEU  26  -9.778 -13.442 -13.442
  472   3HD2  LEU  26          3HD2      LEU  26 -10.154 -11.972 -11.972
  473    H    LEU  27           H        LEU  27  -5.025 -10.478 -10.478
  474    HA   LEU  27           HA       LEU  27  -5.346 -12.290 -12.290
  475   1HB   LEU  27          2HB       LEU  27  -3.230 -10.342 -10.342
  476   2HB   LEU  27          1HB       LEU  27  -2.845 -11.526 -11.526
  477    HG   LEU  27           HG       LEU  27  -5.358  -9.852  -9.852
  478   1HD1  LEU  27          3HD1      LEU  27  -3.054  -8.581  -8.581
  479   2HD1  LEU  27          2HD1      LEU  27  -2.896  -9.209  -9.209
  480   3HD1  LEU  27          1HD1      LEU  27  -4.256  -8.166  -8.166
  481   1HD2  LEU  27          3HD2      LEU  27  -3.755 -11.451 -11.451
  482   2HD2  LEU  27          2HD2      LEU  27  -5.377 -11.812 -11.812
  483   3HD2  LEU  27          1HD2      LEU  27  -5.105 -10.401 -10.401
  484    H    GLU  28           H        GLU  28  -2.727 -12.163 -12.163
  485    HA   GLU  28           HA       GLU  28  -1.484 -14.577 -14.577
  486   1HB   GLU  28          2HB       GLU  28  -1.575 -13.512 -13.512
  487   2HB   GLU  28          1HB       GLU  28  -0.302 -14.449 -14.449
  488   1HG   GLU  28          2HG       GLU  28  -0.640 -12.162 -12.162
  489   2HG   GLU  28          1HG       GLU  28  -0.678 -11.579 -11.579
  490    H    GLN  29           H        GLN  29  -4.051 -13.856 -13.856
  491    HA   GLN  29           HA       GLN  29  -4.298 -16.373 -16.373
  492   1HB   GLN  29          2HB       GLN  29  -6.179 -14.088 -14.088
  493   2HB   GLN  29          1HB       GLN  29  -6.817 -15.617 -15.617
  494   1HG   GLN  29          2HG       GLN  29  -4.698 -15.391 -15.391
  495   2HG   GLN  29          1HG       GLN  29  -4.968 -13.678 -13.678
  496   1HE2  GLN  29          2HE2      GLN  29  -7.127 -14.947 -14.947
  497   2HE2  GLN  29          1HE2      GLN  29  -5.477 -15.169 -15.169
  498    H    GLN  30           H        GLN  30  -5.449 -15.177 -15.177
  499    HA   GLN  30           HA       GLN  30  -7.027 -17.582 -17.582
  500   1HB   GLN  30          2HB       GLN  30  -7.471 -15.080 -15.080
  501   2HB   GLN  30          1HB       GLN  30  -6.456 -15.598 -15.598
  502   1HG   GLN  30          2HG       GLN  30  -8.748 -16.082 -16.082
  503   2HG   GLN  30          1HG       GLN  30  -7.951 -17.617 -17.617
  504   1HE2  GLN  30          2HE2      GLN  30 -10.137 -18.399 -18.399
  505   2HE2  GLN  30          1HE2      GLN  30  -8.937 -18.923 -18.923
  506    H    VAL  31           H        VAL  31  -4.050 -16.027 -16.027
  507    HA   VAL  31           HA       VAL  31  -3.410 -17.866 -17.866
  508    HB   VAL  31           HB       VAL  31  -1.524 -16.206 -16.206
  509   1HG1  VAL  31          1HG1      VAL  31  -1.245 -17.603 -17.603
  510   2HG1  VAL  31          3HG1      VAL  31  -0.149 -16.327 -16.327
  511   3HG1  VAL  31          2HG1      VAL  31  -0.259 -17.828 -17.828
  512   1HG2  VAL  31          3HG2      VAL  31  -3.581 -15.259 -15.259
  513   2HG2  VAL  31          2HG2      VAL  31  -2.088 -14.377 -14.377
  514   3HG2  VAL  31          1HG2      VAL  31  -2.256 -15.314 -15.314
  515    H    ARG  32           H        ARG  32  -2.886 -17.850 -17.850
  516    HA   ARG  32           HA       ARG  32  -1.105 -20.128 -20.128
  517   1HB   ARG  32          2HB       ARG  32  -1.480 -18.167 -18.167
  518   2HB   ARG  32          1HB       ARG  32  -2.538 -19.397 -19.397
  519   1HG   ARG  32          2HG       ARG  32   0.353 -19.870 -19.870
  520   2HG   ARG  32          1HG       ARG  32  -0.195 -19.541 -19.541
  521   1HD   ARG  32          2HD       ARG  32  -0.343 -21.808 -21.808
  522   2HD   ARG  32          1HD       ARG  32  -1.881 -21.563 -21.563
  523    HE   ARG  32           HE       ARG  32  -0.067 -21.772 -21.772
  524   1HH1  ARG  32          1HH1      ARG  32  -0.888 -23.757 -23.757
  525   2HH1  ARG  32          2HH1      ARG  32  -0.447 -25.234 -25.234
  526   1HH2  ARG  32          1HH2      ARG  32   0.494 -23.720 -23.720
  527   2HH2  ARG  32          2HH2      ARG  32   0.327 -25.215 -25.215
  528    H    ALA  33           H        ALA  33  -4.507 -19.521 -19.521
  529    HA   ALA  33           HA       ALA  33  -5.154 -22.130 -22.130
  530   1HB   ALA  33          1HB       ALA  33  -6.608 -20.132 -20.132
  531   2HB   ALA  33          3HB       ALA  33  -6.984 -20.153 -20.153
  532   3HB   ALA  33          2HB       ALA  33  -7.472 -21.503 -21.503
  533    H    LEU  34           H        LEU  34  -5.589 -20.570 -20.570
  534    HA   LEU  34           HA       LEU  34  -6.581 -22.856 -22.856
  535   1HB   LEU  34          2HB       LEU  34  -5.425 -20.238 -20.238
  536   2HB   LEU  34          1HB       LEU  34  -5.447 -21.523 -21.523
  537    HG   LEU  34           HG       LEU  34  -7.497 -20.145 -20.145
  538   1HD1  LEU  34          3HD1      LEU  34  -7.375 -22.782 -22.782
  539   2HD1  LEU  34          2HD1      LEU  34  -8.423 -22.745 -22.745
  540   3HD1  LEU  34          1HD1      LEU  34  -8.922 -21.937 -21.937
  541   1HD2  LEU  34          3HD2      LEU  34  -7.448 -19.650 -19.650
  542   2HD2  LEU  34          2HD2      LEU  34  -9.032 -19.980 -19.980
  543   3HD2  LEU  34          1HD2      LEU  34  -8.197 -21.233 -21.233
  544   1HN   NH2  35          1HT       LEU  34  -5.196 -24.673 -24.673
  545   2HN   NH2  35          2HT       LEU  34  -3.640 -24.826 -24.826

  Start of MODEL   27
    1   1H    ACE   2          1HA       ACE   2   3.842  24.754  24.754
    2   2H    ACE   2          2HA       ACE   2   4.001  26.114  26.114
    3   3H    ACE   2          3HA       ACE   2   4.935  24.641  24.641
    4    H    CYS   3           H        CYS   3   4.178  23.490  23.490
    5    HA   CYS   3           HA       CYS   3   1.275  23.530  23.530
    6   1HB   CYS   3          2HB       CYS   3   3.066  24.278  24.278
    7   2HB   CYS   3          1HB       CYS   3   3.316  22.545  22.545
    8    H    GLY   4           H        GLY   4   2.535  21.857  21.857
    9   1HA   GLY   4          2HA       GLY   4   2.361  19.687  19.687
   10   2HA   GLY   4          1HA       GLY   4   1.307  19.375  19.375
   11    H    GLY   5           H        GLY   5   2.084  18.304  18.304
   12   1HA   GLY   5          2HA       GLY   5   4.833  18.102  18.102
   13   2HA   GLY   5          1HA       GLY   5   4.332  16.671  16.671
   14    H    VAL   6           H        VAL   6   2.811  18.730  18.730
   15    HA   VAL   6           HA       VAL   6   1.495  16.535  16.535
   16    HB   VAL   6           HB       VAL   6   2.086  19.254  19.254
   17   1HG1  VAL   6          2HG1      VAL   6   1.250  17.452  17.452
   18   2HG1  VAL   6          1HG1      VAL   6  -0.172  17.293  17.293
   19   3HG1  VAL   6          3HG1      VAL   6   0.126  18.800  18.800
   20   1HG2  VAL   6          1HG2      VAL   6   0.059  18.317  18.317
   21   2HG2  VAL   6          3HG2      VAL   6   0.968  19.827  19.827
   22   3HG2  VAL   6          2HG2      VAL   6  -0.382  19.581  19.581
   23    H    GLN   7           H        GLN   7   4.467  18.336  18.336
   24    HA   GLN   7           HA       GLN   7   5.067  17.125  17.125
   25   1HB   GLN   7          2HB       GLN   7   6.125  19.222  19.222
   26   2HB   GLN   7          1HB       GLN   7   7.185  18.068  18.068
   27   1HG   GLN   7          2HG       GLN   7   8.314  18.716  18.716
   28   2HG   GLN   7          1HG       GLN   7   7.682  17.094  17.094
   29   1HE2  GLN   7          2HE2      GLN   7   6.049  18.248  18.248
   30   2HE2  GLN   7          1HE2      GLN   7   7.015  17.058  17.058
   31    H    ALA   8           H        ALA   8   5.759  16.255  16.255
   32    HA   ALA   8           HA       ALA   8   7.548  14.106  14.106
   33   1HB   ALA   8          1HB       ALA   8   6.131  15.037  15.037
   34   2HB   ALA   8          3HB       ALA   8   6.833  13.421  13.421
   35   3HB   ALA   8          2HB       ALA   8   7.858  14.831  14.831
   36    H    GLU   9           H        GLU   9   4.098  14.365  14.365
   37    HA   GLU   9           HA       GLU   9   3.598  11.550  11.550
   38   1HB   GLU   9          2HB       GLU   9   2.139  13.442  13.442
   39   2HB   GLU   9          1HB       GLU   9   1.518  13.629  13.629
   40   1HG   GLU   9          2HG       GLU   9   0.029  12.085  12.085
   41   2HG   GLU   9          1HG       GLU   9   1.141  11.067  11.067
   42    H    GLU  10           H        GLU  10   3.608  14.085  14.085
   43    HA   GLU  10           HA       GLU  10   2.255  12.713  12.713
   44   1HB   GLU  10          2HB       GLU  10   2.984  15.198  15.198
   45   2HB   GLU  10          1HB       GLU  10   4.524  14.619  14.619
   46   1HG   GLU  10          2HG       GLU  10   3.021  13.389  13.389
   47   2HG   GLU  10          1HG       GLU  10   1.810  14.582  14.582
   48    H    GLN  11           H        GLN  11   5.750  13.087  13.087
   49    HA   GLN  11           HA       GLN  11   6.615  11.381  11.381
   50   1HB   GLN  11          2HB       GLN  11   8.741  11.235  11.235
   51   2HB   GLN  11          1HB       GLN  11   8.175  12.891  12.891
   52   1HG   GLN  11          2HG       GLN  11   7.292  12.952  12.952
   53   2HG   GLN  11          1HG       GLN  11   7.583  11.227  11.227
   54   1HE2  GLN  11          2HE2      GLN  11  11.107  11.627  11.627
   55   2HE2  GLN  11          1HE2      GLN  11   9.924  10.526  10.526
   56    H    LYS  12           H        LYS  12   5.496  10.742  10.742
   57    HA   LYS  12           HA       LYS  12   6.428   8.034   8.034
   58   1HB   LYS  12          2HB       LYS  12   4.572   9.728   9.728
   59   2HB   LYS  12          1HB       LYS  12   4.507   7.977   7.977
   60   1HG   LYS  12          2HG       LYS  12   7.185   9.320   9.320
   61   2HG   LYS  12          1HG       LYS  12   6.178   9.432   9.432
   62   1HD   LYS  12          2HD       LYS  12   6.125   7.077   7.077
   63   2HD   LYS  12          1HD       LYS  12   6.713   6.789   6.789
   64   1HE   LYS  12          2HE       LYS  12   8.615   6.431   6.431
   65   2HE   LYS  12          1HE       LYS  12   8.832   8.067   8.067
   66   1HZ   LYS  12          2HZ       LYS  12   7.460   7.561   7.561
   67   2HZ   LYS  12          1HZ       LYS  12   9.151   7.698   7.698
   68   3HZ   LYS  12          3HZ       LYS  12   8.172   9.000   9.000
   69    H    LEU  13           H        LEU  13   3.331   9.578   9.578
   70    HA   LEU  13           HA       LEU  13   1.810   7.233   7.233
   71   1HB   LEU  13          2HB       LEU  13   1.573  10.008  10.008
   72   2HB   LEU  13          1HB       LEU  13   0.434   8.729   8.729
   73    HG   LEU  13           HG       LEU  13   1.060   9.309   9.309
   74   1HD1  LEU  13          1HD1      LEU  13   0.378  11.445  11.445
   75   2HD1  LEU  13          3HD1      LEU  13  -1.106  10.652  10.652
   76   3HD1  LEU  13          2HD1      LEU  13  -0.794  10.885  10.885
   77   1HD2  LEU  13          2HD2      LEU  13  -1.080   7.928   7.928
   78   2HD2  LEU  13          1HD2      LEU  13  -0.207   7.356   7.356
   79   3HD2  LEU  13          3HD2      LEU  13  -1.472   8.574   8.574
   80    H    ILE  14           H        ILE  14   3.934   8.999   8.999
   81    HA   ILE  14           HA       ILE  14   3.246   7.494   7.494
   82    HB   ILE  14           HB       ILE  14   5.768   9.075   9.075
   83   1HG1  ILE  14          2HG1      ILE  14   3.381  10.064  10.064
   84   2HG1  ILE  14          1HG1      ILE  14   3.418  10.213  10.213
   85   1HG2  ILE  14          2HG2      ILE  14   4.498   7.907   7.907
   86   2HG2  ILE  14          1HG2      ILE  14   5.549   9.320   9.320
   87   3HG2  ILE  14          3HG2      ILE  14   6.176   7.802   7.802
   88   1HD1  ILE  14          2HD1      ILE  14   5.818  11.098  11.098
   89   2HD1  ILE  14          1HD1      ILE  14   4.395  12.141  12.141
   90   3HD1  ILE  14          3HD1      ILE  14   5.191  11.706  11.706
   91    H    SER  15           H        SER  15   6.147   7.499   7.499
   92    HA   SER  15           HA       SER  15   7.379   5.262   5.262
   93   1HB   SER  15          2HB       SER  15   7.628   6.092   6.092
   94   2HB   SER  15          1HB       SER  15   8.802   5.194   5.194
   95    HG   SER  15           HG       SER  15   9.557   7.117   7.117
   96    H    GLU  16           H        GLU  16   5.101   5.527   5.527
   97    HA   GLU  16           HA       GLU  16   5.190   2.838   2.838
   98   1HB   GLU  16          2HB       GLU  16   4.102   4.727   4.727
   99   2HB   GLU  16          1HB       GLU  16   2.777   4.664   4.664
  100   1HG   GLU  16          2HG       GLU  16   2.239   2.396   2.396
  101   2HG   GLU  16          1HG       GLU  16   3.688   2.276   2.276
  102    H    GLU  17           H        GLU  17   3.478   4.435   4.435
  103    HA   GLU  17           HA       GLU  17   1.691   2.274   2.274
  104   1HB   GLU  17          2HB       GLU  17   1.452   4.724   4.724
  105   2HB   GLU  17          1HB       GLU  17   2.614   4.340   4.340
  106   1HG   GLU  17          2HG       GLU  17   0.945   2.262   2.262
  107   2HG   GLU  17          1HG       GLU  17  -0.202   3.425   3.425
  108    H    ASP  18           H        ASP  18   4.829   3.316   3.316
  109    HA   ASP  18           HA       ASP  18   5.032   1.414   1.414
  110   1HB   ASP  18          2HB       ASP  18   6.507   3.485   3.485
  111   2HB   ASP  18          1HB       ASP  18   7.406   2.440   2.440
  112    H    LEU  19           H        LEU  19   5.948   1.319   1.319
  113    HA   LEU  19           HA       LEU  19   7.338  -1.139  -1.139
  114   1HB   LEU  19          2HB       LEU  19   7.159   0.623   0.623
  115   2HB   LEU  19          1HB       LEU  19   5.696  -0.247  -0.247
  116    HG   LEU  19           HG       LEU  19   7.305  -2.356  -2.356
  117   1HD1  LEU  19          1HD1      LEU  19   9.234  -1.009  -1.009
  118   2HD1  LEU  19          3HD1      LEU  19   9.173  -0.086  -0.086
  119   3HD1  LEU  19          2HD1      LEU  19   9.579  -1.802  -1.802
  120   1HD2  LEU  19          2HD2      LEU  19   6.874  -0.456  -0.456
  121   2HD2  LEU  19          1HD2      LEU  19   6.300  -2.112  -2.112
  122   3HD2  LEU  19          3HD2      LEU  19   7.987  -1.805  -1.805
  123    H    LEU  20           H        LEU  20   3.923  -0.341  -0.341
  124    HA   LEU  20           HA       LEU  20   3.057  -2.983  -2.983
  125   1HB   LEU  20          2HB       LEU  20   1.736  -0.441  -0.441
  126   2HB   LEU  20          1HB       LEU  20   0.828  -1.939  -1.939
  127    HG   LEU  20           HG       LEU  20   2.249  -1.533  -1.533
  128   1HD1  LEU  20          3HD1      LEU  20   0.844   0.589   0.589
  129   2HD1  LEU  20          2HD1      LEU  20  -0.494  -0.386  -0.386
  130   3HD1  LEU  20          1HD1      LEU  20   0.825   0.073   0.073
  131   1HD2  LEU  20          1HD2      LEU  20  -0.123  -2.973  -2.973
  132   2HD2  LEU  20          3HD2      LEU  20   1.097  -3.530  -3.530
  133   3HD2  LEU  20          2HD2      LEU  20  -0.201  -2.466  -2.466
  134    H    ARG  21           H        ARG  21   3.539  -1.211  -1.211
  135    HA   ARG  21           HA       ARG  21   2.203  -2.968  -2.968
  136   1HB   ARG  21          2HB       ARG  21   4.558  -1.122  -1.122
  137   2HB   ARG  21          1HB       ARG  21   3.782  -2.021  -2.021
  138   1HG   ARG  21          2HG       ARG  21   1.574  -0.979  -0.979
  139   2HG   ARG  21          1HG       ARG  21   2.635   0.174   0.174
  140   1HD   ARG  21          2HD       ARG  21   2.504  -0.385  -0.385
  141   2HD   ARG  21          1HD       ARG  21   1.990   1.087   1.087
  142    HE   ARG  21           HE       ARG  21   4.639   0.815   0.815
  143   1HH1  ARG  21          1HH1      ARG  21   2.856   0.961   0.961
  144   2HH1  ARG  21          2HH1      ARG  21   4.165   1.681   1.681
  145   1HH2  ARG  21          1HH2      ARG  21   6.321   1.754   1.754
  146   2HH2  ARG  21          2HH2      ARG  21   6.110   2.126   2.126
  147    H    LYS  22           H        LYS  22   5.574  -2.868  -2.868
  148    HA   LYS  22           HA       LYS  22   6.422  -5.125  -5.125
  149   1HB   LYS  22          2HB       LYS  22   7.864  -3.278  -3.278
  150   2HB   LYS  22          1HB       LYS  22   7.727  -4.271  -4.271
  151   1HG   LYS  22          2HG       LYS  22   8.937  -6.027  -6.027
  152   2HG   LYS  22          1HG       LYS  22   8.508  -5.594  -5.594
  153   1HD   LYS  22          2HD       LYS  22   9.883  -3.385  -3.385
  154   2HD   LYS  22          1HD       LYS  22  10.671  -4.508  -4.508
  155   1HE   LYS  22          2HE       LYS  22  10.962  -6.073  -6.073
  156   2HE   LYS  22          1HE       LYS  22  10.460  -4.726  -4.726
  157   1HZ   LYS  22          2HZ       LYS  22  12.264  -3.424  -3.424
  158   2HZ   LYS  22          1HZ       LYS  22  12.845  -4.923  -4.923
  159   3HZ   LYS  22          3HZ       LYS  22  12.774  -4.599  -4.599
  160    H    ARG  23           H        ARG  23   5.041  -4.679  -4.679
  161    HA   ARG  23           HA       ARG  23   5.560  -7.337  -7.337
  162   1HB   ARG  23          2HB       ARG  23   5.067  -5.331  -5.331
  163   2HB   ARG  23          1HB       ARG  23   3.383  -5.473  -5.473
  164   1HG   ARG  23          2HG       ARG  23   3.653  -7.977  -7.977
  165   2HG   ARG  23          1HG       ARG  23   5.026  -7.372  -7.372
  166   1HD   ARG  23          2HD       ARG  23   3.313  -5.544  -5.544
  167   2HD   ARG  23          1HD       ARG  23   2.110  -6.726  -6.726
  168    HE   ARG  23           HE       ARG  23   2.688  -8.024  -8.024
  169   1HH1  ARG  23          1HH1      ARG  23   5.162  -5.611  -5.611
  170   2HH1  ARG  23          2HH1      ARG  23   6.007  -5.973  -5.973
  171   1HH2  ARG  23          1HH2      ARG  23   3.820  -8.463  -8.463
  172   2HH2  ARG  23          2HH2      ARG  23   5.256  -7.572  -7.572
  173    H    ARG  24           H        ARG  24   2.873  -5.731  -5.731
  174    HA   ARG  24           HA       ARG  24   0.965  -7.796  -7.796
  175   1HB   ARG  24          2HB       ARG  24   0.516  -5.440  -5.440
  176   2HB   ARG  24          1HB       ARG  24   1.233  -5.893  -5.893
  177   1HG   ARG  24          2HG       ARG  24  -0.454  -7.513  -7.513
  178   2HG   ARG  24          1HG       ARG  24  -1.022  -7.476  -7.476
  179   1HD   ARG  24          2HD       ARG  24  -1.962  -5.305  -5.305
  180   2HD   ARG  24          1HD       ARG  24  -1.114  -5.038  -5.038
  181    HE   ARG  24           HE       ARG  24  -3.606  -6.449  -6.449
  182   1HH1  ARG  24          1HH1      ARG  24  -0.749  -6.146  -6.146
  183   2HH1  ARG  24          2HH1      ARG  24  -1.531  -6.770  -6.770
  184   1HH2  ARG  24          1HH2      ARG  24  -4.588  -7.257  -7.257
  185   2HH2  ARG  24          2HH2      ARG  24  -3.686  -7.396  -7.396
  186    H    GLU  25           H        GLU  25   3.596  -7.244  -7.244
  187    HA   GLU  25           HA       GLU  25   2.836  -9.337  -9.337
  188   1HB   GLU  25          2HB       GLU  25   5.352  -7.722  -7.722
  189   2HB   GLU  25          1HB       GLU  25   5.268  -9.047  -9.047
  190   1HG   GLU  25          2HG       GLU  25   3.205  -7.930  -7.930
  191   2HG   GLU  25          1HG       GLU  25   3.575  -6.539  -6.539
  192    H    GLN  26           H        GLN  26   5.245  -9.018  -9.018
  193    HA   GLN  26           HA       GLN  26   6.340 -11.613 -11.613
  194   1HB   GLN  26          2HB       GLN  26   7.123  -9.511  -9.511
  195   2HB   GLN  26          1HB       GLN  26   6.177 -10.278 -10.278
  196   1HG   GLN  26          2HG       GLN  26   7.555 -12.143 -12.143
  197   2HG   GLN  26          1HG       GLN  26   8.089 -11.961 -11.961
  198   1HE2  GLN  26          2HE2      GLN  26  10.441 -10.521 -10.521
  199   2HE2  GLN  26          1HE2      GLN  26   9.269 -11.729 -11.729
  200    H    LEU  27           H        LEU  27   3.625 -10.325 -10.325
  201    HA   LEU  27           HA       LEU  27   3.094 -12.615 -12.615
  202   1HB   LEU  27          2HB       LEU  27   1.465 -10.261 -10.261
  203   2HB   LEU  27          1HB       LEU  27   0.665 -11.622 -11.622
  204    HG   LEU  27           HG       LEU  27   3.125 -10.350 -10.350
  205   1HD1  LEU  27          1HD1      LEU  27   1.265  -8.654  -8.654
  206   2HD1  LEU  27          3HD1      LEU  27   0.271  -9.615  -9.615
  207   3HD1  LEU  27          2HD1      LEU  27   1.752  -8.858  -8.858
  208   1HD2  LEU  27          3HD2      LEU  27   2.303 -12.597 -12.597
  209   2HD2  LEU  27          2HD2      LEU  27   2.285 -11.367 -11.367
  210   3HD2  LEU  27          1HD2      LEU  27   0.783 -11.828 -11.828
  211    H    LYS  28           H        LYS  28   2.025 -11.638 -11.638
  212    HA   LYS  28           HA       LYS  28   0.200 -13.805 -13.805
  213   1HB   LYS  28          2HB       LYS  28   0.421 -11.551 -11.551
  214   2HB   LYS  28          1HB       LYS  28   1.582 -12.454 -12.454
  215   1HG   LYS  28          2HG       LYS  28  -0.097 -14.170 -14.170
  216   2HG   LYS  28          1HG       LYS  28  -1.259 -13.347 -13.347
  217   1HD   LYS  28          2HD       LYS  28  -0.813 -11.288 -11.288
  218   2HD   LYS  28          1HD       LYS  28  -0.189 -12.487 -12.487
  219   1HE   LYS  28          2HE       LYS  28  -2.355 -13.748 -13.748
  220   2HE   LYS  28          1HE       LYS  28  -2.967 -12.393 -12.393
  221   1HZ   LYS  28          1HZ       LYS  28  -1.828 -11.996 -11.996
  222   2HZ   LYS  28          3HZ       LYS  28  -3.457 -12.416 -12.416
  223   3HZ   LYS  28          2HZ       LYS  28  -2.859 -10.971 -10.971
  224    H    HIS  29           H        HIS  29   3.588 -13.248 -13.248
  225    HA   HIS  29           HA       HIS  29   3.977 -15.602 -15.602
  226   1HB   HIS  29          2HB       HIS  29   5.876 -13.863 -13.863
  227   2HB   HIS  29          1HB       HIS  29   6.421 -15.273 -15.273
  228    HD1  HIS  29           HD1      HIS  29   4.903 -15.134 -15.134
  229    HD2  HIS  29           HD2      HIS  29   6.386 -11.697 -11.697
  230    HE1  HIS  29           HE1      HIS  29   5.077 -13.372 -13.372
  231    H    LYS  30           H        LYS  30   4.071 -14.943 -14.943
  232    HA   LYS  30           HA       LYS  30   5.234 -17.452 -17.452
  233   1HB   LYS  30          2HB       LYS  30   3.659 -15.400 -15.400
  234   2HB   LYS  30          1HB       LYS  30   4.376 -16.841 -16.841
  235   1HG   LYS  30          2HG       LYS  30   6.546 -16.087 -16.087
  236   2HG   LYS  30          1HG       LYS  30   6.112 -15.089 -15.089
  237   1HD   LYS  30          2HD       LYS  30   6.382 -13.430 -13.430
  238   2HD   LYS  30          1HD       LYS  30   4.674 -13.796 -13.796
  239   1HE   LYS  30          2HE       LYS  30   5.239 -15.316 -15.316
  240   2HE   LYS  30          1HE       LYS  30   6.958 -15.038 -15.038
  241   1HZ   LYS  30          2HZ       LYS  30   6.628 -12.701 -12.701
  242   2HZ   LYS  30          1HZ       LYS  30   4.973 -12.970 -12.970
  243   3HZ   LYS  30          3HZ       LYS  30   6.123 -13.671 -13.671
  244    H    LEU  31           H        LEU  31   1.918 -16.163 -16.163
  245    HA   LEU  31           HA       LEU  31   0.658 -18.492 -18.492
  246   1HB   LEU  31          2HB       LEU  31  -0.223 -16.004 -16.004
  247   2HB   LEU  31          1HB       LEU  31  -0.818 -16.806 -16.806
  248    HG   LEU  31           HG       LEU  31  -1.252 -18.192 -18.192
  249   1HD1  LEU  31          1HD1      LEU  31  -1.834 -15.651 -15.651
  250   2HD1  LEU  31          3HD1      LEU  31  -3.178 -16.057 -16.057
  251   3HD1  LEU  31          2HD1      LEU  31  -3.039 -16.833 -16.833
  252   1HD2  LEU  31          1HD2      LEU  31  -2.772 -17.824 -17.824
  253   2HD2  LEU  31          3HD2      LEU  31  -2.009 -19.297 -19.297
  254   3HD2  LEU  31          2HD2      LEU  31  -3.449 -18.662 -18.662
  255    H    GLU  32           H        GLU  32   1.391 -17.390 -17.390
  256    HA   GLU  32           HA       GLU  32   0.045 -19.442 -19.442
  257   1HB   GLU  32          2HB       GLU  32   2.352 -17.638 -17.638
  258   2HB   GLU  32          1HB       GLU  32   1.828 -18.904 -18.904
  259   1HG   GLU  32          2HG       GLU  32  -0.240 -17.083 -17.083
  260   2HG   GLU  32          1HG       GLU  32   0.773 -16.477 -16.477
  261    H    GLN  33           H        GLN  33   3.301 -19.219 -19.219
  262    HA   GLN  33           HA       GLN  33   3.873 -21.966 -21.966
  263   1HB   GLN  33          2HB       GLN  33   5.587 -19.699 -19.699
  264   2HB   GLN  33          1HB       GLN  33   6.186 -21.358 -21.358
  265   1HG   GLN  33          2HG       GLN  33   5.031 -20.055 -20.055
  266   2HG   GLN  33          1HG       GLN  33   6.756 -20.083 -20.083
  267   1HE2  GLN  33          2HE2      GLN  33   7.152 -23.514 -23.514
  268   2HE2  GLN  33          1HE2      GLN  33   7.867 -22.160 -22.160
  269    H    LEU  34           H        LEU  34   1.962 -21.392 -21.392
  270    HA   LEU  34           HA       LEU  34   1.386 -22.196 -22.196
  271   1HB   LEU  34          2HB       LEU  34   3.870 -23.893 -23.893
  272   2HB   LEU  34          1HB       LEU  34   2.592 -24.162 -24.162
  273    HG   LEU  34           HG       LEU  34   2.103 -24.081 -24.081
  274   1HD1  LEU  34          1HD1      LEU  34   2.677 -26.392 -26.392
  275   2HD1  LEU  34          3HD1      LEU  34   1.846 -26.604 -26.604
  276   3HD1  LEU  34          2HD1      LEU  34   3.498 -25.986 -25.986
  277   1HD2  LEU  34          1HD2      LEU  34   0.469 -24.614 -24.614
  278   2HD2  LEU  34          3HD2      LEU  34   0.036 -23.721 -23.721
  279   3HD2  LEU  34          2HD2      LEU  34   0.070 -25.483 -25.483
  280   1HN   NH2  35          1HT       LEU  34   2.047 -22.067 -22.067
  281   2HN   NH2  35          2HT       LEU  34   3.351 -21.069 -21.069
  282   1H    ACE   2          1HA       ACE   2   4.855  25.959  25.959
  283   2H    ACE   2          2HA       ACE   2   6.154  25.020  25.020
  284   3H    ACE   2          3HA       ACE   2   5.113  26.025  26.025
  285    H    CYS   3           H        CYS   3   2.689  25.474  25.474
  286    HA   CYS   3           HA       CYS   3   2.374  22.680  22.680
  287   1HB   CYS   3          2HB       CYS   3   0.263  24.826  24.826
  288   2HB   CYS   3          1HB       CYS   3   0.045  23.253  23.253
  289    H    GLY   4           H        GLY   4   2.781  21.499  21.499
  290   1HA   GLY   4          2HA       GLY   4   0.904  21.930  21.930
  291   2HA   GLY   4          1HA       GLY   4   2.517  21.244  21.244
  292    H    GLY   5           H        GLY   5   0.041  20.054  20.054
  293   1HA   GLY   5          2HA       GLY   5  -0.353  17.692  17.692
  294   2HA   GLY   5          1HA       GLY   5   0.211  17.539  17.539
  295    H    MET   6           H        MET   6  -1.187  19.404  19.404
  296    HA   MET   6           HA       MET   6  -3.129  19.538  19.538
  297   1HB   MET   6          2HB       MET   6  -5.049  20.397  20.397
  298   2HB   MET   6          1HB       MET   6  -3.544  21.194  21.194
  299   1HG   MET   6          2HG       MET   6  -3.354  19.918  19.918
  300   2HG   MET   6          1HG       MET   6  -4.661  18.839  18.839
  301   1HE   MET   6          3HE       MET   6  -3.393  21.777  21.777
  302   2HE   MET   6          2HE       MET   6  -4.730  22.787  22.787
  303   3HE   MET   6          1HE       MET   6  -4.149  22.924  22.924
  304    H    ARG   7           H        ARG   7  -5.707  18.878  18.878
  305    HA   ARG   7           HA       ARG   7  -5.696  16.074  16.074
  306   1HB   ARG   7          2HB       ARG   7  -8.184  16.345  16.345
  307   2HB   ARG   7          1HB       ARG   7  -7.282  17.448  17.448
  308   1HG   ARG   7          2HG       ARG   7  -7.725  19.301  19.301
  309   2HG   ARG   7          1HG       ARG   7  -8.023  18.312  18.312
  310   1HD   ARG   7          2HD       ARG   7  -9.826  18.041  18.041
  311   2HD   ARG   7          1HD       ARG   7 -10.048  19.396  19.396
  312    HE   ARG   7           HE       ARG   7  -9.946  17.237  17.237
  313   1HH1  ARG   7          1HH1      ARG   7 -11.826  18.011  18.011
  314   2HH1  ARG   7          2HH1      ARG   7 -13.190  17.078  17.078
  315   1HH2  ARG   7          1HH2      ARG   7 -11.747  16.030  16.030
  316   2HH2  ARG   7          2HH2      ARG   7 -13.147  15.964  15.964
  317    H    ARG   8           H        ARG   8  -6.349  18.021  18.021
  318    HA   ARG   8           HA       ARG   8  -7.920  16.269  16.269
  319   1HB   ARG   8          2HB       ARG   8  -6.007  18.460  18.460
  320   2HB   ARG   8          1HB       ARG   8  -6.511  17.388  17.388
  321   1HG   ARG   8          2HG       ARG   8  -8.835  17.890  17.890
  322   2HG   ARG   8          1HG       ARG   8  -8.462  18.760  18.760
  323   1HD   ARG   8          2HD       ARG   8  -7.796  20.636  20.636
  324   2HD   ARG   8          1HD       ARG   8  -7.047  19.723  19.723
  325    HE   ARG   8           HE       ARG   8  -9.720  19.335  19.335
  326   1HH1  ARG   8          1HH1      ARG   8  -7.721  22.175  22.175
  327   2HH1  ARG   8          2HH1      ARG   8  -8.736  23.176  23.176
  328   1HH2  ARG   8          1HH2      ARG   8 -11.016  20.675  20.675
  329   2HH2  ARG   8          2HH2      ARG   8 -10.587  22.336  22.336
  330    H    LYS   9           H        LYS   9  -4.411  16.736  16.736
  331    HA   LYS   9           HA       LYS   9  -4.047  14.383  14.383
  332   1HB   LYS   9          2HB       LYS   9  -2.000  15.848  15.848
  333   2HB   LYS   9          1HB       LYS   9  -1.654  14.707  14.707
  334   1HG   LYS   9          2HG       LYS   9  -3.171  16.315  16.315
  335   2HG   LYS   9          1HG       LYS   9  -2.777  17.489  17.489
  336   1HD   LYS   9          2HD       LYS   9  -0.569  17.604  17.604
  337   2HD   LYS   9          1HD       LYS   9  -0.507  15.911  15.911
  338   1HE   LYS   9          2HE       LYS   9  -1.994  16.574  16.574
  339   2HE   LYS   9          1HE       LYS   9  -1.633  18.248  18.248
  340   1HZ   LYS   9          2HZ       LYS   9   0.556  16.306  16.306
  341   2HZ   LYS   9          1HZ       LYS   9  -0.142  17.018  17.018
  342   3HZ   LYS   9          3HZ       LYS   9   0.582  17.993  17.993
  343    H    ASN  10           H        ASN  10  -3.671  15.043  15.043
  344    HA   ASN  10           HA       ASN  10  -2.587  12.549  12.549
  345   1HB   ASN  10          2HB       ASN  10  -4.045  14.727  14.727
  346   2HB   ASN  10          1HB       ASN  10  -3.838  13.173  13.173
  347   1HD2  ASN  10          2HD2      ASN  10  -0.842  15.440  15.440
  348   2HD2  ASN  10          1HD2      ASN  10  -2.509  15.712  15.712
  349    H    ASP  11           H        ASP  11  -5.886  13.618  13.618
  350    HA   ASP  11           HA       ASP  11  -7.242  11.447  11.447
  351   1HB   ASP  11          2HB       ASP  11  -7.921  13.505  13.505
  352   2HB   ASP  11          1HB       ASP  11  -8.963  12.088  12.088
  353    H    THR  12           H        THR  12  -6.347  12.006  12.006
  354    HA   THR  12           HA       THR  12  -7.215   9.501   9.501
  355    HB   THR  12           HB       THR  12  -5.859   9.971   9.971
  356    HG1  THR  12           HG1      THR  12  -4.766  12.102  12.102
  357   1HG2  THR  12          2HG2      THR  12  -7.963  11.320  11.320
  358   2HG2  THR  12          1HG2      THR  12  -6.884  12.616  12.616
  359   3HG2  THR  12          3HG2      THR  12  -6.843  12.051  12.051
  360    H    HIS  13           H        HIS  13  -4.243  10.534  10.534
  361    HA   HIS  13           HA       HIS  13  -2.606   8.340   8.340
  362   1HB   HIS  13          2HB       HIS  13  -2.605  10.405  10.405
  363   2HB   HIS  13          1HB       HIS  13  -1.604   8.974   8.974
  364    HD1  HIS  13           HD1      HIS  13  -0.441   8.395   8.395
  365    HD2  HIS  13           HD2      HIS  13  -0.945  12.313  12.313
  366    HE1  HIS  13           HE1      HIS  13   1.173   9.819   9.819
  367    H    GLN  14           H        GLN  14  -4.663   8.918   8.918
  368    HA   GLN  14           HA       GLN  14  -4.156   6.507   6.507
  369   1HB   GLN  14          2HB       GLN  14  -5.545   8.660   8.660
  370   2HB   GLN  14          1HB       GLN  14  -6.898   7.684   7.684
  371   1HG   GLN  14          2HG       GLN  14  -6.115   5.822   5.822
  372   2HG   GLN  14          1HG       GLN  14  -4.892   6.913   6.913
  373   1HE2  GLN  14          2HE2      GLN  14  -8.132   7.018   7.018
  374   2HE2  GLN  14          1HE2      GLN  14  -7.234   5.703   5.703
  375    H    GLN  15           H        GLN  15  -6.338   7.267   7.267
  376    HA   GLN  15           HA       GLN  15  -7.954   4.957   4.957
  377   1HB   GLN  15          2HB       GLN  15  -8.100   7.144   7.144
  378   2HB   GLN  15          1HB       GLN  15  -7.199   6.157   6.157
  379   1HG   GLN  15          2HG       GLN  15  -8.968   4.342   4.342
  380   2HG   GLN  15          1HG       GLN  15  -9.919   5.611   5.611
  381   1HE2  GLN  15          2HE2      GLN  15  -9.283   5.799   5.799
  382   2HE2  GLN  15          1HE2      GLN  15  -8.223   4.887   4.887
  383    H    ASP  16           H        ASP  16  -5.048   5.646   5.646
  384    HA   ASP  16           HA       ASP  16  -4.848   3.089   3.089
  385   1HB   ASP  16          2HB       ASP  16  -3.580   5.346   5.346
  386   2HB   ASP  16          1HB       ASP  16  -2.386   4.680   4.680
  387    H    ILE  17           H        ILE  17  -3.418   4.454   4.454
  388    HA   ILE  17           HA       ILE  17  -1.807   2.239   2.239
  389    HB   ILE  17           HB       ILE  17  -2.896   4.623   4.623
  390   1HG1  ILE  17          2HG1      ILE  17  -0.364   4.643   4.643
  391   2HG1  ILE  17          1HG1      ILE  17  -0.222   3.401   3.401
  392   1HG2  ILE  17          2HG2      ILE  17  -1.936   2.111   2.111
  393   2HG2  ILE  17          1HG2      ILE  17  -1.593   3.688   3.688
  394   3HG2  ILE  17          3HG2      ILE  17  -3.262   3.180   3.180
  395   1HD1  ILE  17          1HD1      ILE  17  -1.501   5.004   5.004
  396   2HD1  ILE  17          3HD1      ILE  17  -1.203   6.242   6.242
  397   3HD1  ILE  17          2HD1      ILE  17   0.152   5.463   5.463
  398    H    ASP  18           H        ASP  18  -4.813   3.222   3.222
  399    HA   ASP  18           HA       ASP  18  -5.307   0.990   0.990
  400   1HB   ASP  18          2HB       ASP  18  -7.066   3.039   3.039
  401   2HB   ASP  18          1HB       ASP  18  -7.843   1.595   1.595
  402    H    ASP  19           H        ASP  19  -6.217   1.473   1.473
  403    HA   ASP  19           HA       ASP  19  -7.667  -0.926  -0.926
  404   1HB   ASP  19          2HB       ASP  19  -7.409   1.128   1.128
  405   2HB   ASP  19          1HB       ASP  19  -6.014   0.243   0.243
  406    H    LEU  20           H        LEU  20  -4.239  -0.198  -0.198
  407    HA   LEU  20           HA       LEU  20  -3.482  -2.781  -2.781
  408   1HB   LEU  20          2HB       LEU  20  -1.889  -0.535  -0.535
  409   2HB   LEU  20          1HB       LEU  20  -1.164  -2.032  -2.032
  410    HG   LEU  20           HG       LEU  20  -2.949  -0.336  -0.336
  411   1HD1  LEU  20          3HD1      LEU  20  -0.018  -0.052  -0.052
  412   2HD1  LEU  20          2HD1      LEU  20  -0.632   0.384   0.384
  413   3HD1  LEU  20          1HD1      LEU  20  -1.244   1.207   1.207
  414   1HD2  LEU  20          2HD2      LEU  20  -0.910  -2.531  -2.531
  415   2HD2  LEU  20          1HD2      LEU  20  -2.618  -2.537  -2.537
  416   3HD2  LEU  20          3HD2      LEU  20  -1.486  -1.511  -1.511
  417    H    LYS  21           H        LYS  21  -3.758  -1.243  -1.243
  418    HA   LYS  21           HA       LYS  21  -2.482  -3.360  -3.360
  419   1HB   LYS  21          2HB       LYS  21  -4.274  -1.078  -1.078
  420   2HB   LYS  21          1HB       LYS  21  -3.587  -2.238  -2.238
  421   1HG   LYS  21          2HG       LYS  21  -1.735  -0.935  -0.935
  422   2HG   LYS  21          1HG       LYS  21  -2.317   0.031   0.031
  423   1HD   LYS  21          2HD       LYS  21  -1.576  -1.789  -1.789
  424   2HD   LYS  21          1HD       LYS  21  -0.881  -2.636  -2.636
  425   1HE   LYS  21          2HE       LYS  21   0.742  -0.964  -0.964
  426   2HE   LYS  21          1HE       LYS  21  -0.141   0.225   0.225
  427   1HZ   LYS  21          1HZ       LYS  21   0.306  -1.103  -1.103
  428   2HZ   LYS  21          3HZ       LYS  21   1.177  -2.222  -2.222
  429   3HZ   LYS  21          2HZ       LYS  21   1.751  -0.633  -0.633
  430    H    ARG  22           H        ARG  22  -5.860  -2.413  -2.413
  431    HA   ARG  22           HA       ARG  22  -7.046  -4.475  -4.475
  432   1HB   ARG  22          2HB       ARG  22  -9.079  -4.031  -4.031
  433   2HB   ARG  22          1HB       ARG  22  -8.359  -2.560  -2.560
  434   1HG   ARG  22          2HG       ARG  22  -8.506  -1.825  -1.825
  435   2HG   ARG  22          1HG       ARG  22  -7.035  -2.769  -2.769
  436   1HD   ARG  22          2HD       ARG  22  -8.641  -3.371  -3.371
  437   2HD   ARG  22          1HD       ARG  22  -8.442  -4.731  -4.731
  438    HE   ARG  22           HE       ARG  22 -10.625  -3.021  -3.021
  439   1HH1  ARG  22          1HH1      ARG  22  -9.674  -5.623  -5.623
  440   2HH1  ARG  22          2HH1      ARG  22 -11.286  -6.227  -6.227
  441   1HH2  ARG  22          1HH2      ARG  22 -12.710  -3.844  -3.844
  442   2HH2  ARG  22          2HH2      ARG  22 -12.991  -5.231  -5.231
  443    H    GLN  23           H        GLN  23  -5.834  -4.351  -4.351
  444    HA   GLN  23           HA       GLN  23  -6.954  -6.888  -6.888
  445   1HB   GLN  23          2HB       GLN  23  -5.093  -4.900  -4.900
  446   2HB   GLN  23          1HB       GLN  23  -5.017  -6.557  -6.557
  447   1HG   GLN  23          2HG       GLN  23  -7.739  -5.409  -5.409
  448   2HG   GLN  23          1HG       GLN  23  -6.759  -4.731  -4.731
  449   1HE2  GLN  23          2HE2      GLN  23  -7.218  -8.801  -8.801
  450   2HE2  GLN  23          1HE2      GLN  23  -6.736  -8.109  -8.109
  451    H    ASN  24           H        ASN  24  -3.655  -5.755  -5.755
  452    HA   ASN  24           HA       ASN  24  -2.434  -8.303  -8.303
  453   1HB   ASN  24          2HB       ASN  24  -1.596  -5.847  -5.847
  454   2HB   ASN  24          1HB       ASN  24  -0.576  -7.241  -7.241
  455   1HD2  ASN  24          2HD2      ASN  24   0.438  -5.205  -5.205
  456   2HD2  ASN  24          1HD2      ASN  24   0.850  -5.651  -5.651
  457    H    ALA  25           H        ALA  25  -4.112  -6.548  -6.548
  458    HA   ALA  25           HA       ALA  25  -3.294  -8.077  -8.077
  459   1HB   ALA  25          1HB       ALA  25  -5.904  -6.623  -6.623
  460   2HB   ALA  25          3HB       ALA  25  -5.386  -7.260  -7.260
  461   3HB   ALA  25          2HB       ALA  25  -4.472  -5.965  -5.965
  462    H    LEU  26           H        LEU  26  -6.133  -8.393  -8.393
  463    HA   LEU  26           HA       LEU  26  -7.240 -10.664 -10.664
  464   1HB   LEU  26          2HB       LEU  26  -7.567  -9.299  -9.299
  465   2HB   LEU  26          1HB       LEU  26  -8.052 -10.994 -10.994
  466    HG   LEU  26           HG       LEU  26  -9.244 -10.270 -10.270
  467   1HD1  LEU  26          1HD1      LEU  26  -8.226  -7.951  -7.951
  468   2HD1  LEU  26          3HD1      LEU  26  -9.282  -7.673  -7.673
  469   3HD1  LEU  26          2HD1      LEU  26  -9.977  -7.982  -7.982
  470   1HD2  LEU  26          2HD2      LEU  26 -10.180 -10.986 -10.986
  471   2HD2  LEU  26          1HD2      LEU  26 -11.254 -10.164 -10.164
  472   3HD2  LEU  26          3HD2      LEU  26 -10.519  -9.267  -9.267
  473    H    LEU  27           H        LEU  27  -4.866 -10.320 -10.320
  474    HA   LEU  27           HA       LEU  27  -4.686 -13.095 -13.095
  475   1HB   LEU  27          2HB       LEU  27  -2.689 -10.856 -10.856
  476   2HB   LEU  27          1HB       LEU  27  -2.552 -12.472 -12.472
  477    HG   LEU  27           HG       LEU  27  -5.056 -10.854 -10.854
  478   1HD1  LEU  27          1HD1      LEU  27  -2.849  -9.617  -9.617
  479   2HD1  LEU  27          3HD1      LEU  27  -2.775 -10.804 -10.804
  480   3HD1  LEU  27          2HD1      LEU  27  -4.156  -9.713  -9.713
  481   1HD2  LEU  27          1HD2      LEU  27  -5.024 -13.252 -13.252
  482   2HD2  LEU  27          3HD2      LEU  27  -5.166 -12.241 -12.241
  483   3HD2  LEU  27          2HD2      LEU  27  -3.615 -12.973 -12.973
  484    H    GLU  28           H        GLU  28  -2.571 -10.941 -10.941
  485    HA   GLU  28           HA       GLU  28  -0.760 -12.890 -12.890
  486   1HB   GLU  28          2HB       GLU  28  -0.442 -10.423 -10.423
  487   2HB   GLU  28          1HB       GLU  28  -1.646 -10.421 -10.421
  488   1HG   GLU  28          2HG       GLU  28  -0.243 -11.425 -11.425
  489   2HG   GLU  28          1HG       GLU  28   0.550 -12.404 -12.404
  490    H    GLN  29           H        GLN  29  -3.770 -11.707 -11.707
  491    HA   GLN  29           HA       GLN  29  -3.695 -13.110 -13.110
  492   1HB   GLN  29          2HB       GLN  29  -5.417 -11.373 -11.373
  493   2HB   GLN  29          1HB       GLN  29  -6.245 -12.735 -12.735
  494   1HG   GLN  29          2HG       GLN  29  -7.270 -12.789 -12.789
  495   2HG   GLN  29          1HG       GLN  29  -5.874 -13.808 -13.808
  496   1HE2  GLN  29          2HE2      GLN  29  -4.751 -11.618 -11.618
  497   2HE2  GLN  29          1HE2      GLN  29  -4.835 -13.202 -13.202
  498    H    GLN  30           H        GLN  30  -4.500 -14.204 -14.204
  499    HA   GLN  30           HA       GLN  30  -5.491 -16.779 -16.779
  500   1HB   GLN  30          2HB       GLN  30  -5.246 -15.389 -15.389
  501   2HB   GLN  30          1HB       GLN  30  -5.184 -17.151 -17.151
  502   1HG   GLN  30          2HG       GLN  30  -7.488 -16.660 -16.660
  503   2HG   GLN  30          1HG       GLN  30  -7.281 -17.056 -17.056
  504   1HE2  GLN  30          2HE2      GLN  30  -8.513 -13.359 -13.359
  505   2HE2  GLN  30          1HE2      GLN  30  -8.296 -14.589 -14.589
  506    H    VAL  31           H        VAL  31  -2.573 -15.380 -15.380
  507    HA   VAL  31           HA       VAL  31  -1.200 -17.788 -17.788
  508    HB   VAL  31           HB       VAL  31  -0.029 -15.109 -15.109
  509   1HG1  VAL  31          2HG1      VAL  31   1.544 -17.054 -17.054
  510   2HG1  VAL  31          1HG1      VAL  31   1.133 -17.356 -17.356
  511   3HG1  VAL  31          3HG1      VAL  31   1.943 -15.856 -15.856
  512   1HG2  VAL  31          2HG2      VAL  31  -1.699 -15.648 -15.648
  513   2HG2  VAL  31          1HG2      VAL  31  -0.555 -14.311 -14.311
  514   3HG2  VAL  31          3HG2      VAL  31  -0.084 -15.813 -15.813
  515    H    ARG  32           H        ARG  32  -1.623 -15.910 -15.910
  516    HA   ARG  32           HA       ARG  32   0.403 -17.201 -17.201
  517   1HB   ARG  32          2HB       ARG  32  -2.053 -15.617 -15.617
  518   2HB   ARG  32          1HB       ARG  32  -0.970 -16.312 -16.312
  519   1HG   ARG  32          2HG       ARG  32   0.244 -14.716 -14.716
  520   2HG   ARG  32          1HG       ARG  32  -0.590 -13.845 -13.845
  521   1HD   ARG  32          2HD       ARG  32   1.643 -15.855 -15.855
  522   2HD   ARG  32          1HD       ARG  32   1.799 -14.108 -14.108
  523    HE   ARG  32           HE       ARG  32   0.731 -15.899 -15.899
  524   1HH1  ARG  32          1HH1      ARG  32   0.527 -12.645 -12.645
  525   2HH1  ARG  32          2HH1      ARG  32  -0.055 -11.978 -11.978
  526   1HH2  ARG  32          1HH2      ARG  32  -0.030 -14.988 -14.988
  527   2HH2  ARG  32          2HH2      ARG  32  -0.369 -13.292 -13.292
  528    H    ALA  33           H        ALA  33  -3.062 -17.752 -17.752
  529    HA   ALA  33           HA       ALA  33  -3.381 -19.785 -19.785
  530   1HB   ALA  33          2HB       ALA  33  -4.873 -19.065 -19.065
  531   2HB   ALA  33          1HB       ALA  33  -5.309 -20.498 -20.498
  532   3HB   ALA  33          3HB       ALA  33  -5.391 -18.903 -18.903
  533    H    LEU  34           H        LEU  34  -2.474 -19.886 -19.886
  534    HA   LEU  34           HA       LEU  34  -2.318 -22.771 -22.771
  535   1HB   LEU  34          2HB       LEU  34  -1.702 -20.558 -20.558
  536   2HB   LEU  34          1HB       LEU  34  -1.035 -22.161 -22.161
  537    HG   LEU  34           HG       LEU  34  -3.202 -21.863 -21.863
  538   1HD1  LEU  34          2HD1      LEU  34  -2.388 -24.048 -24.048
  539   2HD1  LEU  34          1HD1      LEU  34  -3.899 -23.746 -23.746
  540   3HD1  LEU  34          3HD1      LEU  34  -3.912 -23.997 -23.997
  541   1HD2  LEU  34          1HD2      LEU  34  -4.196 -20.255 -20.255
  542   2HD2  LEU  34          3HD2      LEU  34  -5.267 -21.629 -21.629
  543   3HD2  LEU  34          2HD2      LEU  34  -4.316 -21.535 -21.535
  544   1HN   NH2  35          1HT       LEU  34  -0.576 -23.931 -23.931
  545   2HN   NH2  35          2HT       LEU  34   1.001 -23.330 -23.330

  Start of MODEL   28
    1   1H    ACE   2          1HA       ACE   2   6.077  21.337  21.337
    2   2H    ACE   2          2HA       ACE   2   4.900  20.270  20.270
    3   3H    ACE   2          3HA       ACE   2   6.406  20.661  20.661
    4    H    CYS   3           H        CYS   3   5.438  21.554  21.554
    5    HA   CYS   3           HA       CYS   3   4.427  24.275  24.275
    6   1HB   CYS   3          2HB       CYS   3   2.505  22.465  22.465
    7   2HB   CYS   3          1HB       CYS   3   2.882  22.524  22.524
    8    H    GLY   4           H        GLY   4   5.128  21.679  21.679
    9   1HA   GLY   4          2HA       GLY   4   7.166  22.952  22.952
   10   2HA   GLY   4          1HA       GLY   4   5.679  23.438  23.438
   11    H    GLY   5           H        GLY   5   4.846  22.123  22.123
   12   1HA   GLY   5          2HA       GLY   5   6.228  19.799  19.799
   13   2HA   GLY   5          1HA       GLY   5   4.651  20.326  20.326
   14    H    VAL   6           H        VAL   6   3.452  20.324  20.324
   15    HA   VAL   6           HA       VAL   6   2.453  17.684  17.684
   16    HB   VAL   6           HB       VAL   6   1.195  19.619  19.619
   17   1HG1  VAL   6          3HG1      VAL   6   3.378  20.551  20.551
   18   2HG1  VAL   6          2HG1      VAL   6   2.894  19.552  19.552
   19   3HG1  VAL   6          1HG1      VAL   6   1.825  20.828  20.828
   20   1HG2  VAL   6          1HG2      VAL   6   1.142  17.086  17.086
   21   2HG2  VAL   6          3HG2      VAL   6   0.066  18.351  18.351
   22   3HG2  VAL   6          2HG2      VAL   6   1.532  17.947  17.947
   23    H    GLN   7           H        GLN   7   5.093  19.252  19.252
   24    HA   GLN   7           HA       GLN   7   5.523  17.348  17.348
   25   1HB   GLN   7          2HB       GLN   7   6.606  19.617  19.617
   26   2HB   GLN   7          1HB       GLN   7   7.663  18.962  18.962
   27   1HG   GLN   7          2HG       GLN   7   8.974  18.561  18.561
   28   2HG   GLN   7          1HG       GLN   7   8.052  17.057  17.057
   29   1HE2  GLN   7          2HE2      GLN   7   7.867  18.908  18.908
   30   2HE2  GLN   7          1HE2      GLN   7   9.195  18.719  18.719
   31    H    ALA   8           H        ALA   8   6.454  17.446  17.446
   32    HA   ALA   8           HA       ALA   8   8.272  15.217  15.217
   33   1HB   ALA   8          1HB       ALA   8   7.000  16.707  16.707
   34   2HB   ALA   8          3HB       ALA   8   7.982  15.265  15.265
   35   3HB   ALA   8          2HB       ALA   8   8.693  16.693  16.693
   36    H    GLU   9           H        GLU   9   4.938  15.693  15.693
   37    HA   GLU   9           HA       GLU   9   4.513  12.992  12.992
   38   1HB   GLU   9          2HB       GLU   9   2.456  15.040  15.040
   39   2HB   GLU   9          1HB       GLU   9   2.149  13.576  13.576
   40   1HG   GLU   9          2HG       GLU   9   3.485  14.398  14.398
   41   2HG   GLU   9          1HG       GLU   9   4.003  15.795  15.795
   42    H    GLU  10           H        GLU  10   3.945  14.786  14.786
   43    HA   GLU  10           HA       GLU  10   2.515  12.785  12.785
   44   1HB   GLU  10          2HB       GLU  10   2.807  15.216  15.216
   45   2HB   GLU  10          1HB       GLU  10   4.407  14.762  14.762
   46   1HG   GLU  10          2HG       GLU  10   3.456  13.157  13.157
   47   2HG   GLU  10          1HG       GLU  10   1.845  13.390  13.390
   48    H    GLN  11           H        GLN  11   5.973  13.447  13.447
   49    HA   GLN  11           HA       GLN  11   6.905  11.561  11.561
   50   1HB   GLN  11          2HB       GLN  11   8.245  13.398  13.398
   51   2HB   GLN  11          1HB       GLN  11   8.361  12.290  12.290
   52   1HG   GLN  11          2HG       GLN  11   9.449  10.614  10.614
   53   2HG   GLN  11          1HG       GLN  11   9.205  11.590  11.590
   54   1HE2  GLN  11          2HE2      GLN  11  12.667  12.148  12.148
   55   2HE2  GLN  11          1HE2      GLN  11  11.814  10.727  10.727
   56    H    LYS  12           H        LYS  12   5.899  11.272  11.272
   57    HA   LYS  12           HA       LYS  12   6.896   8.590   8.590
   58   1HB   LYS  12          2HB       LYS  12   6.451  10.266  10.266
   59   2HB   LYS  12          1HB       LYS  12   4.737   9.915   9.915
   60   1HG   LYS  12          2HG       LYS  12   6.554   7.571   7.571
   61   2HG   LYS  12          1HG       LYS  12   6.278   8.516   8.516
   62   1HD   LYS  12          2HD       LYS  12   3.738   8.349   8.349
   63   2HD   LYS  12          1HD       LYS  12   4.373   6.851   6.851
   64   1HE   LYS  12          2HE       LYS  12   4.970   5.999   5.999
   65   2HE   LYS  12          1HE       LYS  12   4.867   7.588   7.588
   66   1HZ   LYS  12          3HZ       LYS  12   2.415   7.460   7.460
   67   2HZ   LYS  12          2HZ       LYS  12   2.694   5.788   5.788
   68   3HZ   LYS  12          1HZ       LYS  12   2.903   6.604   6.604
   69    H    LEU  13           H        LEU  13   3.856  10.087  10.087
   70    HA   LEU  13           HA       LEU  13   2.228   7.770   7.770
   71   1HB   LEU  13          2HB       LEU  13   2.005  10.336  10.336
   72   2HB   LEU  13          1HB       LEU  13   0.808   9.048   9.048
   73    HG   LEU  13           HG       LEU  13   1.632  10.149  10.149
   74   1HD1  LEU  13          1HD1      LEU  13  -0.571  11.116  11.116
   75   2HD1  LEU  13          3HD1      LEU  13  -0.443  11.548  11.548
   76   3HD1  LEU  13          2HD1      LEU  13   0.811  12.051  12.051
   77   1HD2  LEU  13          1HD2      LEU  13  -0.840   8.709   8.709
   78   2HD2  LEU  13          3HD2      LEU  13   0.445   7.986   7.986
   79   3HD2  LEU  13          2HD2      LEU  13  -0.583   9.239   9.239
   80    H    ILE  14           H        ILE  14   4.201   9.163   9.163
   81    HA   ILE  14           HA       ILE  14   3.390   7.374   7.374
   82    HB   ILE  14           HB       ILE  14   6.031   8.832   8.832
   83   1HG1  ILE  14          2HG1      ILE  14   3.698   9.773   9.773
   84   2HG1  ILE  14          1HG1      ILE  14   3.735  10.125  10.125
   85   1HG2  ILE  14          3HG2      ILE  14   4.637   7.374   7.374
   86   2HG2  ILE  14          2HG2      ILE  14   5.690   8.737   8.737
   87   3HG2  ILE  14          1HG2      ILE  14   6.337   7.328   7.328
   88   1HD1  ILE  14          3HD1      ILE  14   6.189  10.673  10.673
   89   2HD1  ILE  14          2HD1      ILE  14   4.835  11.800  11.800
   90   3HD1  ILE  14          1HD1      ILE  14   5.608  11.485  11.485
   91    H    SER  15           H        SER  15   6.330   7.433   7.433
   92    HA   SER  15           HA       SER  15   7.398   4.998   4.998
   93   1HB   SER  15          2HB       SER  15   8.510   5.021   5.021
   94   2HB   SER  15          1HB       SER  15   8.901   6.307   6.307
   95    HG   SER  15           HG       SER  15   7.627   6.419   6.419
   96    H    GLU  16           H        GLU  16   4.961   5.719   5.719
   97    HA   GLU  16           HA       GLU  16   4.919   3.227   3.227
   98   1HB   GLU  16          2HB       GLU  16   3.761   5.320   5.320
   99   2HB   GLU  16          1HB       GLU  16   2.551   5.048   5.048
  100   1HG   GLU  16          2HG       GLU  16   1.638   3.234   3.234
  101   2HG   GLU  16          1HG       GLU  16   3.178   2.748   2.748
  102    H    GLU  17           H        GLU  17   2.759   4.463   4.463
  103    HA   GLU  17           HA       GLU  17   1.413   2.028   2.028
  104   1HB   GLU  17          2HB       GLU  17   0.768   3.029   3.029
  105   2HB   GLU  17          1HB       GLU  17   0.496   4.118   4.118
  106   1HG   GLU  17          2HG       GLU  17   2.519   5.347   5.347
  107   2HG   GLU  17          1HG       GLU  17   2.992   4.170   4.170
  108    H    ASP  18           H        ASP  18   4.449   3.291   3.291
  109    HA   ASP  18           HA       ASP  18   4.822   1.544   1.544
  110   1HB   ASP  18          2HB       ASP  18   6.210   3.590   3.590
  111   2HB   ASP  18          1HB       ASP  18   7.011   2.630   2.630
  112    H    LEU  19           H        LEU  19   5.653   1.260   1.260
  113    HA   LEU  19           HA       LEU  19   7.050  -1.194  -1.194
  114   1HB   LEU  19          2HB       LEU  19   6.759   0.521   0.521
  115   2HB   LEU  19          1HB       LEU  19   5.424  -0.549  -0.549
  116    HG   LEU  19           HG       LEU  19   8.020  -1.830  -1.830
  117   1HD1  LEU  19          3HD1      LEU  19   8.233   0.250   0.250
  118   2HD1  LEU  19          2HD1      LEU  19   7.684  -0.971  -0.971
  119   3HD1  LEU  19          1HD1      LEU  19   9.162  -1.233  -1.233
  120   1HD2  LEU  19          2HD2      LEU  19   5.673  -2.320  -2.320
  121   2HD2  LEU  19          1HD2      LEU  19   6.348  -3.370  -3.370
  122   3HD2  LEU  19          3HD2      LEU  19   7.197  -3.163  -3.163
  123    H    LEU  20           H        LEU  20   3.638  -0.399  -0.399
  124    HA   LEU  20           HA       LEU  20   2.704  -3.011  -3.011
  125   1HB   LEU  20          2HB       LEU  20   1.476  -0.474  -0.474
  126   2HB   LEU  20          1HB       LEU  20   0.563  -1.964  -1.964
  127    HG   LEU  20           HG       LEU  20   1.805  -1.445  -1.445
  128   1HD1  LEU  20          1HD1      LEU  20  -0.534  -0.015  -0.015
  129   2HD1  LEU  20          3HD1      LEU  20  -0.594  -0.444  -0.444
  130   3HD1  LEU  20          2HD1      LEU  20   0.696   0.597   0.597
  131   1HD2  LEU  20          2HD2      LEU  20   0.555  -3.582  -3.582
  132   2HD2  LEU  20          1HD2      LEU  20   0.134  -2.923  -2.923
  133   3HD2  LEU  20          3HD2      LEU  20  -0.902  -2.609  -2.609
  134    H    ARG  21           H        ARG  21   3.383  -1.307  -1.307
  135    HA   ARG  21           HA       ARG  21   2.166  -3.128  -3.128
  136   1HB   ARG  21          2HB       ARG  21   4.535  -1.282  -1.282
  137   2HB   ARG  21          1HB       ARG  21   3.750  -2.171  -2.171
  138   1HG   ARG  21          2HG       ARG  21   1.557  -1.076  -1.076
  139   2HG   ARG  21          1HG       ARG  21   2.657   0.072   0.072
  140   1HD   ARG  21          2HD       ARG  21   2.490  -0.567  -0.567
  141   2HD   ARG  21          1HD       ARG  21   1.984   0.929   0.929
  142    HE   ARG  21           HE       ARG  21   4.627   0.687   0.687
  143   1HH1  ARG  21          1HH1      ARG  21   2.861   0.681   0.681
  144   2HH1  ARG  21          2HH1      ARG  21   4.175   1.356   1.356
  145   1HH2  ARG  21          1HH2      ARG  21   6.315   1.566   1.566
  146   2HH2  ARG  21          2HH2      ARG  21   6.114   1.852   1.852
  147    H    LYS  22           H        LYS  22   5.370  -3.009  -3.009
  148    HA   LYS  22           HA       LYS  22   6.569  -5.085  -5.085
  149   1HB   LYS  22          2HB       LYS  22   7.532  -3.379  -3.379
  150   2HB   LYS  22          1HB       LYS  22   7.292  -4.773  -4.773
  151   1HG   LYS  22          2HG       LYS  22   9.391  -5.306  -5.306
  152   2HG   LYS  22          1HG       LYS  22   8.455  -6.021  -6.021
  153   1HD   LYS  22          2HD       LYS  22   8.619  -3.509  -3.509
  154   2HD   LYS  22          1HD       LYS  22  10.100  -3.538  -3.538
  155   1HE   LYS  22          2HE       LYS  22  10.954  -4.429  -4.429
  156   2HE   LYS  22          1HE       LYS  22  10.347  -5.922  -5.922
  157   1HZ   LYS  22          1HZ       LYS  22   8.832  -4.196  -4.196
  158   2HZ   LYS  22          3HZ       LYS  22   9.634  -5.630  -5.630
  159   3HZ   LYS  22          2HZ       LYS  22   8.314  -5.681  -5.681
  160    H    ARG  23           H        ARG  23   4.723  -5.101  -5.101
  161    HA   ARG  23           HA       ARG  23   5.005  -7.893  -7.893
  162   1HB   ARG  23          2HB       ARG  23   4.305  -6.104  -6.104
  163   2HB   ARG  23          1HB       ARG  23   2.709  -6.166  -6.166
  164   1HG   ARG  23          2HG       ARG  23   2.428  -7.752  -7.752
  165   2HG   ARG  23          1HG       ARG  23   3.023  -8.781  -8.781
  166   1HD   ARG  23          2HD       ARG  23   5.383  -8.041  -8.041
  167   2HD   ARG  23          1HD       ARG  23   4.407  -7.866  -7.866
  168    HE   ARG  23           HE       ARG  23   3.722 -10.340 -10.340
  169   1HH1  ARG  23          1HH1      ARG  23   6.739  -8.775  -8.775
  170   2HH1  ARG  23          2HH1      ARG  23   7.510 -10.255 -10.255
  171   1HH2  ARG  23          1HH2      ARG  23   4.766 -12.245 -12.245
  172   2HH2  ARG  23          2HH2      ARG  23   6.404 -12.204 -12.204
  173    H    ARG  24           H        ARG  24   2.746  -5.943  -5.943
  174    HA   ARG  24           HA       ARG  24   0.700  -7.849  -7.849
  175   1HB   ARG  24          2HB       ARG  24   0.911  -5.284  -5.284
  176   2HB   ARG  24          1HB       ARG  24   1.375  -6.000  -6.000
  177   1HG   ARG  24          2HG       ARG  24  -0.685  -7.288  -7.288
  178   2HG   ARG  24          1HG       ARG  24  -1.134  -6.737  -6.737
  179   1HD   ARG  24          2HD       ARG  24  -1.375  -4.467  -4.467
  180   2HD   ARG  24          1HD       ARG  24  -0.670  -4.853  -4.853
  181    HE   ARG  24           HE       ARG  24  -3.041  -6.391  -6.391
  182   1HH1  ARG  24          1HH1      ARG  24  -1.846  -3.321  -3.321
  183   2HH1  ARG  24          2HH1      ARG  24  -3.262  -3.006  -3.006
  184   1HH2  ARG  24          1HH2      ARG  24  -4.869  -5.940  -5.940
  185   2HH2  ARG  24          2HH2      ARG  24  -4.960  -4.475  -4.475
  186    H    GLU  25           H        GLU  25   3.307  -6.941  -6.941
  187    HA   GLU  25           HA       GLU  25   2.857  -9.073  -9.073
  188   1HB   GLU  25          2HB       GLU  25   5.187  -7.247  -7.247
  189   2HB   GLU  25          1HB       GLU  25   5.337  -8.585  -8.585
  190   1HG   GLU  25          2HG       GLU  25   3.841  -7.665  -7.665
  191   2HG   GLU  25          1HG       GLU  25   2.933  -6.830  -6.830
  192    H    GLN  26           H        GLN  26   4.994  -8.727  -8.727
  193    HA   GLN  26           HA       GLN  26   6.418 -11.147 -11.147
  194   1HB   GLN  26          2HB       GLN  26   7.028  -9.273  -9.273
  195   2HB   GLN  26          1HB       GLN  26   5.716  -9.806  -9.806
  196   1HG   GLN  26          2HG       GLN  26   6.802 -12.124 -12.124
  197   2HG   GLN  26          1HG       GLN  26   8.206 -11.334 -11.334
  198   1HE2  GLN  26          2HE2      GLN  26   8.737  -9.321  -9.321
  199   2HE2  GLN  26          1HE2      GLN  26   8.600  -9.051  -9.051
  200    H    LEU  27           H        LEU  27   3.351 -10.369 -10.369
  201    HA   LEU  27           HA       LEU  27   2.928 -12.836 -12.836
  202   1HB   LEU  27          2HB       LEU  27   1.183 -10.582 -10.582
  203   2HB   LEU  27          1HB       LEU  27   0.411 -12.108 -12.108
  204    HG   LEU  27           HG       LEU  27   2.485 -10.875 -10.875
  205   1HD1  LEU  27          3HD1      LEU  27   0.541  -9.267  -9.267
  206   2HD1  LEU  27          2HD1      LEU  27  -0.475 -10.383 -10.383
  207   3HD1  LEU  27          1HD1      LEU  27   0.866  -9.559  -9.559
  208   1HD2  LEU  27          3HD2      LEU  27   1.383 -13.287 -13.287
  209   2HD2  LEU  27          2HD2      LEU  27   1.650 -12.355 -12.355
  210   3HD2  LEU  27          1HD2      LEU  27   0.048 -12.402 -12.402
  211    H    LYS  28           H        LYS  28   1.935 -11.675 -11.675
  212    HA   LYS  28           HA       LYS  28   0.590 -14.062 -14.062
  213   1HB   LYS  28          2HB       LYS  28   0.341 -11.791 -11.791
  214   2HB   LYS  28          1HB       LYS  28   1.898 -12.083 -12.083
  215   1HG   LYS  28          2HG       LYS  28   1.020 -14.143 -14.143
  216   2HG   LYS  28          1HG       LYS  28  -0.535 -13.877 -13.877
  217   1HD   LYS  28          2HD       LYS  28  -0.998 -12.890 -12.890
  218   2HD   LYS  28          1HD       LYS  28  -0.300 -11.497 -11.497
  219   1HE   LYS  28          2HE       LYS  28   1.778 -11.740 -11.740
  220   2HE   LYS  28          1HE       LYS  28   1.442 -13.408 -13.408
  221   1HZ   LYS  28          2HZ       LYS  28  -0.013 -11.032 -11.032
  222   2HZ   LYS  28          1HZ       LYS  28   1.217 -11.856 -11.856
  223   3HZ   LYS  28          3HZ       LYS  28  -0.244 -12.644 -12.644
  224    H    HIS  29           H        HIS  29   3.914 -12.955 -12.955
  225    HA   HIS  29           HA       HIS  29   4.815 -15.025 -15.025
  226   1HB   HIS  29          2HB       HIS  29   6.323 -13.246 -13.246
  227   2HB   HIS  29          1HB       HIS  29   7.092 -14.343 -14.343
  228    HD1  HIS  29           HD1      HIS  29   5.080 -13.837 -13.837
  229    HD2  HIS  29           HD2      HIS  29   6.983 -10.851 -10.851
  230    HE1  HIS  29           HE1      HIS  29   5.106 -11.774 -11.774
  231    H    LYS  30           H        LYS  30   4.515 -14.675 -14.675
  232    HA   LYS  30           HA       LYS  30   6.085 -16.881 -16.881
  233   1HB   LYS  30          2HB       LYS  30   5.119 -15.071 -15.071
  234   2HB   LYS  30          1HB       LYS  30   3.586 -15.938 -15.938
  235   1HG   LYS  30          2HG       LYS  30   4.680 -16.742 -16.742
  236   2HG   LYS  30          1HG       LYS  30   4.862 -18.011 -18.011
  237   1HD   LYS  30          2HD       LYS  30   7.123 -17.597 -17.597
  238   2HD   LYS  30          1HD       LYS  30   6.981 -15.905 -15.905
  239   1HE   LYS  30          2HE       LYS  30   7.012 -16.398 -16.398
  240   2HE   LYS  30          1HE       LYS  30   6.416 -18.040 -18.040
  241   1HZ   LYS  30          3HZ       LYS  30   8.574 -18.525 -18.525
  242   2HZ   LYS  30          2HZ       LYS  30   9.127 -17.001 -17.001
  243   3HZ   LYS  30          1HZ       LYS  30   8.705 -18.177 -18.177
  244    H    LEU  31           H        LEU  31   2.582 -16.619 -16.619
  245    HA   LEU  31           HA       LEU  31   2.051 -19.387 -19.387
  246   1HB   LEU  31          2HB       LEU  31   0.493 -17.232 -17.232
  247   2HB   LEU  31          1HB       LEU  31  -0.111 -18.872 -18.872
  248    HG   LEU  31           HG       LEU  31   0.955 -17.454 -17.454
  249   1HD1  LEU  31          3HD1      LEU  31  -1.525 -16.654 -16.654
  250   2HD1  LEU  31          2HD1      LEU  31  -1.456 -16.496 -16.496
  251   3HD1  LEU  31          1HD1      LEU  31  -0.304 -15.623 -15.623
  252   1HD2  LEU  31          3HD2      LEU  31  -1.304 -19.355 -19.355
  253   2HD2  LEU  31          2HD2      LEU  31   0.113 -19.655 -19.655
  254   3HD2  LEU  31          1HD2      LEU  31  -1.165 -18.583 -18.583
  255    H    GLU  32           H        GLU  32   2.956 -17.463 -17.463
  256    HA   GLU  32           HA       GLU  32   2.338 -19.336 -19.336
  257   1HB   GLU  32          2HB       GLU  32   3.022 -16.854 -16.854
  258   2HB   GLU  32          1HB       GLU  32   4.681 -17.451 -17.451
  259   1HG   GLU  32          2HG       GLU  32   4.317 -18.885 -18.885
  260   2HG   GLU  32          1HG       GLU  32   2.603 -18.474 -18.474
  261    H    GLN  33           H        GLN  33   5.538 -18.539 -18.539
  262    HA   GLN  33           HA       GLN  33   6.888 -20.733 -20.733
  263   1HB   GLN  33          2HB       GLN  33   8.635 -20.294 -20.294
  264   2HB   GLN  33          1HB       GLN  33   8.118 -18.826 -18.826
  265   1HG   GLN  33          2HG       GLN  33   6.364 -18.797 -18.797
  266   2HG   GLN  33          1HG       GLN  33   7.684 -19.664 -19.664
  267   1HE2  GLN  33          2HE2      GLN  33   9.354 -16.642 -16.642
  268   2HE2  GLN  33          1HE2      GLN  33   8.896 -18.178 -18.178
  269    H    LEU  34           H        LEU  34   5.115 -20.374 -20.374
  270    HA   LEU  34           HA       LEU  34   5.176 -23.294 -23.294
  271   1HB   LEU  34          2HB       LEU  34   6.217 -21.279 -21.279
  272   2HB   LEU  34          1HB       LEU  34   5.390 -22.709 -22.709
  273    HG   LEU  34           HG       LEU  34   6.993 -23.894 -23.894
  274   1HD1  LEU  34          1HD1      LEU  34   8.228 -21.253 -21.253
  275   2HD1  LEU  34          3HD1      LEU  34   9.279 -22.658 -22.658
  276   3HD1  LEU  34          2HD1      LEU  34   8.269 -22.141 -22.141
  277   1HD2  LEU  34          3HD2      LEU  34   6.759 -24.251 -24.251
  278   2HD2  LEU  34          2HD2      LEU  34   8.357 -24.566 -24.566
  279   3HD2  LEU  34          1HD2      LEU  34   8.046 -23.060 -23.060
  280   1HN   NH2  35          1HT       LEU  34   2.978 -23.734 -23.734
  281   2HN   NH2  35          2HT       LEU  34   1.769 -22.897 -22.897
  282   1H    ACE   2          1HA       ACE   2   0.891  28.983  28.983
  283   2H    ACE   2          2HA       ACE   2  -0.415  29.048  29.048
  284   3H    ACE   2          3HA       ACE   2   1.196  28.523  28.523
  285    H    CYS   3           H        CYS   3  -1.367  27.696  27.696
  286    HA   CYS   3           HA       CYS   3  -1.151  24.883  24.883
  287   1HB   CYS   3          2HB       CYS   3  -0.713  25.866  25.866
  288   2HB   CYS   3          1HB       CYS   3  -1.065  24.189  24.189
  289    H    GLY   4           H        GLY   4  -3.104  23.980  23.980
  290   1HA   GLY   4          2HA       GLY   4  -5.254  24.738  24.738
  291   2HA   GLY   4          1HA       GLY   4  -5.500  25.236  25.236
  292    H    GLY   5           H        GLY   5  -4.105  22.309  22.309
  293   1HA   GLY   5          2HA       GLY   5  -6.215  20.550  20.550
  294   2HA   GLY   5          1HA       GLY   5  -5.224  20.548  20.548
  295    H    MET   6           H        MET   6  -4.191  20.924  20.924
  296    HA   MET   6           HA       MET   6  -2.096  18.983  18.983
  297   1HB   MET   6          2HB       MET   6  -3.132  20.284  20.284
  298   2HB   MET   6          1HB       MET   6  -1.604  19.420  19.420
  299   1HG   MET   6          2HG       MET   6  -0.625  21.118  21.118
  300   2HG   MET   6          1HG       MET   6  -2.164  21.669  21.669
  301   1HE   MET   6          3HE       MET   6   0.180  21.250  21.250
  302   2HE   MET   6          2HE       MET   6   0.504  22.964  22.964
  303   3HE   MET   6          1HE       MET   6  -0.397  22.067  22.067
  304    H    ARG   7           H        ARG   7  -5.131  19.101  19.101
  305    HA   ARG   7           HA       ARG   7  -4.888  16.466  16.466
  306   1HB   ARG   7          2HB       ARG   7  -6.398  18.399  18.399
  307   2HB   ARG   7          1HB       ARG   7  -7.516  17.867  17.867
  308   1HG   ARG   7          2HG       ARG   7  -7.671  15.664  15.664
  309   2HG   ARG   7          1HG       ARG   7  -6.365  16.011  16.011
  310   1HD   ARG   7          2HD       ARG   7  -7.695  17.341  17.341
  311   2HD   ARG   7          1HD       ARG   7  -8.750  17.811  17.811
  312    HE   ARG   7           HE       ARG   7  -9.164  15.627  15.627
  313   1HH1  ARG   7          1HH1      ARG   7  -9.480  16.529  16.529
  314   2HH1  ARG   7          2HH1      ARG   7 -10.776  15.420  15.420
  315   1HH2  ARG   7          1HH2      ARG   7 -10.854  14.195  14.195
  316   2HH2  ARG   7          2HH2      ARG   7 -11.548  14.110  14.110
  317    H    ARG   8           H        ARG   8  -6.228  17.805  17.805
  318    HA   ARG   8           HA       ARG   8  -7.783  15.601  15.601
  319   1HB   ARG   8          2HB       ARG   8  -6.486  17.905  17.905
  320   2HB   ARG   8          1HB       ARG   8  -7.109  16.568  16.568
  321   1HG   ARG   8          2HG       ARG   8  -9.296  17.008  17.008
  322   2HG   ARG   8          1HG       ARG   8  -8.884  17.605  17.605
  323   1HD   ARG   8          2HD       ARG   8  -9.648  19.475  19.475
  324   2HD   ARG   8          1HD       ARG   8  -7.921  19.653  19.653
  325    HE   ARG   8           HE       ARG   8  -7.587  19.449  19.449
  326   1HH1  ARG   8          1HH1      ARG   8 -10.738  18.164  18.164
  327   2HH1  ARG   8          2HH1      ARG   8 -11.191  17.913  17.913
  328   1HH2  ARG   8          1HH2      ARG   8  -8.218  19.105  19.105
  329   2HH2  ARG   8          2HH2      ARG   8  -9.777  18.440  18.440
  330    H    LYS   9           H        LYS   9  -4.435  16.498  16.498
  331    HA   LYS   9           HA       LYS   9  -3.875  14.206  14.206
  332   1HB   LYS   9          2HB       LYS   9  -2.244  16.302  16.302
  333   2HB   LYS   9          1HB       LYS   9  -1.425  14.819  14.819
  334   1HG   LYS   9          2HG       LYS   9  -1.239  16.221  16.221
  335   2HG   LYS   9          1HG       LYS   9  -2.602  15.169  15.169
  336   1HD   LYS   9          2HD       LYS   9  -4.107  16.976  16.976
  337   2HD   LYS   9          1HD       LYS   9  -2.691  18.027  18.027
  338   1HE   LYS   9          2HE       LYS   9  -2.467  17.810  17.810
  339   2HE   LYS   9          1HE       LYS   9  -3.730  16.581  16.581
  340   1HZ   LYS   9          3HZ       LYS   9  -4.102  19.400  19.400
  341   2HZ   LYS   9          2HZ       LYS   9  -4.571  18.754  18.754
  342   3HZ   LYS   9          1HZ       LYS   9  -5.315  18.217  18.217
  343    H    ASN  10           H        ASN  10  -3.650  14.853  14.853
  344    HA   ASN  10           HA       ASN  10  -2.269  12.411  12.411
  345   1HB   ASN  10          2HB       ASN  10  -3.763  14.425  14.425
  346   2HB   ASN  10          1HB       ASN  10  -2.999  12.987  12.987
  347   1HD2  ASN  10          2HD2      ASN  10  -0.703  16.142  16.142
  348   2HD2  ASN  10          1HD2      ASN  10  -2.384  16.155  16.155
  349    H    ASP  11           H        ASP  11  -5.612  13.446  13.446
  350    HA   ASP  11           HA       ASP  11  -6.824  11.289  11.289
  351   1HB   ASP  11          2HB       ASP  11  -7.883  13.492  13.492
  352   2HB   ASP  11          1HB       ASP  11  -8.084  12.619  12.619
  353    H    THR  12           H        THR  12  -5.741  11.697  11.697
  354    HA   THR  12           HA       THR  12  -6.873   9.233   9.233
  355    HB   THR  12           HB       THR  12  -5.397   9.617   9.617
  356    HG1  THR  12           HG1      THR  12  -4.176  11.521  11.521
  357   1HG2  THR  12          3HG2      THR  12  -7.300  11.633  11.633
  358   2HG2  THR  12          2HG2      THR  12  -6.376  12.086  12.086
  359   3HG2  THR  12          1HG2      THR  12  -7.414  10.660  10.660
  360    H    HIS  13           H        HIS  13  -3.812  10.234  10.234
  361    HA   HIS  13           HA       HIS  13  -2.280   7.954   7.954
  362   1HB   HIS  13          2HB       HIS  13  -2.094  10.096  10.096
  363   2HB   HIS  13          1HB       HIS  13  -1.091   8.657   8.657
  364    HD1  HIS  13           HD1      HIS  13   0.125   7.997   7.997
  365    HD2  HIS  13           HD2      HIS  13  -0.797  11.986  11.986
  366    HE1  HIS  13           HE1      HIS  13   1.558   9.384   9.384
  367    H    GLN  14           H        GLN  14  -4.128   8.755   8.755
  368    HA   GLN  14           HA       GLN  14  -3.640   6.340   6.340
  369   1HB   GLN  14          2HB       GLN  14  -5.654   6.932   6.932
  370   2HB   GLN  14          1HB       GLN  14  -4.521   8.275   8.275
  371   1HG   GLN  14          2HG       GLN  14  -5.867   9.284   9.284
  372   2HG   GLN  14          1HG       GLN  14  -6.934   7.880   7.880
  373   1HE2  GLN  14          2HE2      GLN  14  -7.237  10.490  10.490
  374   2HE2  GLN  14          1HE2      GLN  14  -5.791  10.427  10.427
  375    H    GLN  15           H        GLN  15  -5.982   7.229   7.229
  376    HA   GLN  15           HA       GLN  15  -7.751   5.039   5.039
  377   1HB   GLN  15          2HB       GLN  15  -7.872   7.250   7.250
  378   2HB   GLN  15          1HB       GLN  15  -7.271   6.138   6.138
  379   1HG   GLN  15          2HG       GLN  15  -9.503   5.151   5.151
  380   2HG   GLN  15          1HG       GLN  15  -9.900   6.421   6.421
  381   1HE2  GLN  15          2HE2      GLN  15 -10.300   3.778   3.778
  382   2HE2  GLN  15          1HE2      GLN  15 -11.089   4.965   4.965
  383    H    ASP  16           H        ASP  16  -5.024   5.547   5.547
  384    HA   ASP  16           HA       ASP  16  -5.115   3.005   3.005
  385   1HB   ASP  16          2HB       ASP  16  -3.767   5.082   5.082
  386   2HB   ASP  16          1HB       ASP  16  -2.559   4.538   4.538
  387    H    ILE  17           H        ILE  17  -3.441   4.193   4.193
  388    HA   ILE  17           HA       ILE  17  -1.905   1.883   1.883
  389    HB   ILE  17           HB       ILE  17  -2.895   4.194   4.194
  390   1HG1  ILE  17          2HG1      ILE  17  -0.109   3.163   3.163
  391   2HG1  ILE  17          1HG1      ILE  17  -0.940   4.373   4.373
  392   1HG2  ILE  17          3HG2      ILE  17  -1.672   1.630   1.630
  393   2HG2  ILE  17          2HG2      ILE  17  -1.290   3.156   3.156
  394   3HG2  ILE  17          1HG2      ILE  17  -2.961   2.603   2.603
  395   1HD1  ILE  17          2HD1      ILE  17  -1.183   5.795   5.795
  396   2HD1  ILE  17          1HD1      ILE  17  -0.238   4.611   4.611
  397   3HD1  ILE  17          3HD1      ILE  17   0.503   5.502   5.502
  398    H    ASP  18           H        ASP  18  -4.640   2.963   2.963
  399    HA   ASP  18           HA       ASP  18  -5.186   0.652   0.652
  400   1HB   ASP  18          2HB       ASP  18  -6.779   3.025   3.025
  401   2HB   ASP  18          1HB       ASP  18  -7.724   1.602   1.602
  402    H    ASP  19           H        ASP  19  -6.016   1.404   1.404
  403    HA   ASP  19           HA       ASP  19  -7.897  -0.740  -0.740
  404   1HB   ASP  19          2HB       ASP  19  -7.795   1.309   1.309
  405   2HB   ASP  19          1HB       ASP  19  -6.291   0.685   0.685
  406    H    LEU  20           H        LEU  20  -4.438  -0.295  -0.295
  407    HA   LEU  20           HA       LEU  20  -3.967  -2.743  -2.743
  408   1HB   LEU  20          2HB       LEU  20  -2.189  -0.903  -0.903
  409   2HB   LEU  20          1HB       LEU  20  -1.581  -2.389  -2.389
  410    HG   LEU  20           HG       LEU  20  -3.143  -0.411  -0.411
  411   1HD1  LEU  20          1HD1      LEU  20  -0.156  -0.372  -0.372
  412   2HD1  LEU  20          3HD1      LEU  20  -0.998   0.621   0.621
  413   3HD1  LEU  20          2HD1      LEU  20  -1.309   0.854   0.854
  414   1HD2  LEU  20          3HD2      LEU  20  -2.687  -2.675  -2.675
  415   2HD2  LEU  20          2HD2      LEU  20  -1.827  -1.439  -1.439
  416   3HD2  LEU  20          1HD2      LEU  20  -0.961  -2.424  -2.424
  417    H    LYS  21           H        LYS  21  -3.905  -1.821  -1.821
  418    HA   LYS  21           HA       LYS  21  -2.894  -4.251  -4.251
  419   1HB   LYS  21          2HB       LYS  21  -4.598  -2.070  -2.070
  420   2HB   LYS  21          1HB       LYS  21  -4.140  -3.502  -3.502
  421   1HG   LYS  21          2HG       LYS  21  -1.722  -2.975  -2.975
  422   2HG   LYS  21          1HG       LYS  21  -2.343  -1.386  -1.386
  423   1HD   LYS  21          2HD       LYS  21  -3.075  -2.411  -2.411
  424   2HD   LYS  21          1HD       LYS  21  -1.405  -1.896  -1.896
  425   1HE   LYS  21          2HE       LYS  21  -2.146   0.292   0.292
  426   2HE   LYS  21          1HE       LYS  21  -3.833  -0.212  -0.212
  427   1HZ   LYS  21          3HZ       LYS  21  -3.506  -0.583  -0.583
  428   2HZ   LYS  21          2HZ       LYS  21  -1.928   0.034   0.034
  429   3HZ   LYS  21          1HZ       LYS  21  -3.264   1.036   1.036
  430    H    ARG  22           H        ARG  22  -6.127  -3.206  -3.206
  431    HA   ARG  22           HA       ARG  22  -7.589  -5.292  -5.292
  432   1HB   ARG  22          2HB       ARG  22  -8.110  -3.435  -3.435
  433   2HB   ARG  22          1HB       ARG  22  -9.211  -4.775  -4.775
  434   1HG   ARG  22          2HG       ARG  22  -8.376  -2.804  -2.804
  435   2HG   ARG  22          1HG       ARG  22  -9.829  -2.603  -2.603
  436   1HD   ARG  22          2HD       ARG  22 -10.211  -5.141  -5.141
  437   2HD   ARG  22          1HD       ARG  22  -9.243  -4.594  -4.594
  438    HE   ARG  22           HE       ARG  22 -11.167  -2.648  -2.648
  439   1HH1  ARG  22          1HH1      ARG  22 -11.182  -6.113  -6.113
  440   2HH1  ARG  22          2HH1      ARG  22 -12.691  -6.099  -6.099
  441   1HH2  ARG  22          1HH2      ARG  22 -13.133  -2.676  -2.676
  442   2HH2  ARG  22          2HH2      ARG  22 -13.788  -4.169  -4.169
  443    H    GLN  23           H        GLN  23  -6.361  -4.950  -4.950
  444    HA   GLN  23           HA       GLN  23  -7.207  -7.483  -7.483
  445   1HB   GLN  23          2HB       GLN  23  -6.304  -5.449  -5.449
  446   2HB   GLN  23          1HB       GLN  23  -4.716  -6.150  -6.150
  447   1HG   GLN  23          2HG       GLN  23  -6.790  -8.044  -8.044
  448   2HG   GLN  23          1HG       GLN  23  -6.244  -6.845  -6.845
  449   1HE2  GLN  23          2HE2      GLN  23  -3.691  -9.262  -9.262
  450   2HE2  GLN  23          1HE2      GLN  23  -5.178  -8.659  -8.659
  451    H    ASN  24           H        ASN  24  -4.048  -6.386  -6.386
  452    HA   ASN  24           HA       ASN  24  -2.779  -8.915  -8.915
  453   1HB   ASN  24          2HB       ASN  24  -2.209  -6.385  -6.385
  454   2HB   ASN  24          1HB       ASN  24  -1.254  -7.840  -7.840
  455   1HD2  ASN  24          2HD2      ASN  24   0.262  -5.804  -5.804
  456   2HD2  ASN  24          1HD2      ASN  24  -0.201  -5.405  -5.405
  457    H    ALA  25           H        ALA  25  -4.802  -7.394  -7.394
  458    HA   ALA  25           HA       ALA  25  -4.205  -9.045  -9.045
  459   1HB   ALA  25          3HB       ALA  25  -6.728  -7.570  -7.570
  460   2HB   ALA  25          2HB       ALA  25  -6.548  -8.438  -8.438
  461   3HB   ALA  25          1HB       ALA  25  -5.497  -7.072  -7.072
  462    H    LEU  26           H        LEU  26  -6.472  -9.428  -9.428
  463    HA   LEU  26           HA       LEU  26  -7.691 -11.813 -11.813
  464   1HB   LEU  26          2HB       LEU  26  -7.694 -10.358 -10.358
  465   2HB   LEU  26          1HB       LEU  26  -8.261 -12.030 -12.030
  466    HG   LEU  26           HG       LEU  26  -9.578 -11.098 -11.098
  467   1HD1  LEU  26          2HD1      LEU  26  -8.951  -8.724  -8.724
  468   2HD1  LEU  26          1HD1      LEU  26 -10.475  -8.793  -8.793
  469   3HD1  LEU  26          3HD1      LEU  26  -8.944  -8.840  -8.840
  470   1HD2  LEU  26          2HD2      LEU  26 -10.215 -11.211 -11.211
  471   2HD2  LEU  26          1HD2      LEU  26 -10.945 -12.090 -12.090
  472   3HD2  LEU  26          3HD2      LEU  26 -11.383 -10.407 -10.407
  473    H    LEU  27           H        LEU  27  -5.215 -11.176 -11.176
  474    HA   LEU  27           HA       LEU  27  -4.724 -13.877 -13.877
  475   1HB   LEU  27          2HB       LEU  27  -3.215 -11.316 -11.316
  476   2HB   LEU  27          1HB       LEU  27  -2.375 -12.840 -12.840
  477    HG   LEU  27           HG       LEU  27  -4.609 -13.358 -13.358
  478   1HD1  LEU  27          1HD1      LEU  27  -4.407 -10.363 -10.363
  479   2HD1  LEU  27          3HD1      LEU  27  -5.043 -11.107 -11.107
  480   3HD1  LEU  27          2HD1      LEU  27  -5.843 -11.385 -11.385
  481   1HD2  LEU  27          3HD2      LEU  27  -2.176 -13.257 -13.257
  482   2HD2  LEU  27          2HD2      LEU  27  -3.373 -12.818 -12.818
  483   3HD2  LEU  27          1HD2      LEU  27  -2.462 -11.559 -11.559
  484    H    GLU  28           H        GLU  28  -3.105 -11.681 -11.681
  485    HA   GLU  28           HA       GLU  28  -1.108 -13.437 -13.437
  486   1HB   GLU  28          2HB       GLU  28  -1.199 -10.995 -10.995
  487   2HB   GLU  28          1HB       GLU  28  -2.524 -11.310 -11.310
  488   1HG   GLU  28          2HG       GLU  28  -1.157 -12.251 -12.251
  489   2HG   GLU  28          1HG       GLU  28  -0.107 -12.991 -12.991
  490    H    GLN  29           H        GLN  29  -4.410 -12.895 -12.895
  491    HA   GLN  29           HA       GLN  29  -4.370 -14.539 -14.539
  492   1HB   GLN  29          2HB       GLN  29  -6.492 -13.571 -13.571
  493   2HB   GLN  29          1HB       GLN  29  -6.899 -14.916 -14.916
  494   1HG   GLN  29          2HG       GLN  29  -5.667 -13.331 -13.331
  495   2HG   GLN  29          1HG       GLN  29  -6.250 -12.091 -12.091
  496   1HE2  GLN  29          2HE2      GLN  29  -8.838 -13.660 -13.660
  497   2HE2  GLN  29          1HE2      GLN  29  -7.150 -13.735 -13.735
  498    H    GLN  30           H        GLN  30  -4.910 -15.357 -15.357
  499    HA   GLN  30           HA       GLN  30  -5.470 -18.137 -18.137
  500   1HB   GLN  30          2HB       GLN  30  -4.960 -16.528 -16.528
  501   2HB   GLN  30          1HB       GLN  30  -5.020 -18.290 -18.290
  502   1HG   GLN  30          2HG       GLN  30  -7.249 -17.858 -17.858
  503   2HG   GLN  30          1HG       GLN  30  -7.204 -16.337 -16.337
  504   1HE2  GLN  30          2HE2      GLN  30  -8.626 -17.908 -17.908
  505   2HE2  GLN  30          1HE2      GLN  30  -8.572 -16.554 -16.554
  506    H    VAL  31           H        VAL  31  -2.672 -16.195 -16.195
  507    HA   VAL  31           HA       VAL  31  -0.922 -18.385 -18.385
  508    HB   VAL  31           HB       VAL  31  -0.234 -15.561 -15.561
  509   1HG1  VAL  31          3HG1      VAL  31   1.332 -17.898 -17.898
  510   2HG1  VAL  31          2HG1      VAL  31   1.786 -16.299 -16.299
  511   3HG1  VAL  31          1HG1      VAL  31   1.801 -16.636 -16.636
  512   1HG2  VAL  31          2HG2      VAL  31  -1.659 -16.291 -16.291
  513   2HG2  VAL  31          1HG2      VAL  31  -0.643 -14.855 -14.855
  514   3HG2  VAL  31          3HG2      VAL  31  -0.002 -16.335 -16.335
  515    H    ARG  32           H        ARG  32  -1.824 -16.607 -16.607
  516    HA   ARG  32           HA       ARG  32   0.262 -17.582 -17.582
  517   1HB   ARG  32          2HB       ARG  32  -1.494 -15.619 -15.619
  518   2HB   ARG  32          1HB       ARG  32  -2.414 -16.895 -16.895
  519   1HG   ARG  32          2HG       ARG  32  -1.167 -16.193 -16.193
  520   2HG   ARG  32          1HG       ARG  32  -0.032 -17.365 -17.365
  521   1HD   ARG  32          2HD       ARG  32   1.403 -15.587 -15.587
  522   2HD   ARG  32          1HD       ARG  32   0.654 -15.201 -15.201
  523    HE   ARG  32           HE       ARG  32  -0.225 -13.319 -13.319
  524   1HH1  ARG  32          1HH1      ARG  32   0.443 -15.708 -15.708
  525   2HH1  ARG  32          2HH1      ARG  32  -0.016 -14.661 -14.661
  526   1HH2  ARG  32          1HH2      ARG  32  -0.813 -11.986 -11.986
  527   2HH2  ARG  32          2HH2      ARG  32  -0.720 -12.571 -12.571
  528    H    ALA  33           H        ALA  33  -3.054 -18.647 -18.647
  529    HA   ALA  33           HA       ALA  33  -3.144 -20.740 -20.740
  530   1HB   ALA  33          1HB       ALA  33  -5.160 -19.888 -19.888
  531   2HB   ALA  33          3HB       ALA  33  -4.580 -20.528 -20.528
  532   3HB   ALA  33          2HB       ALA  33  -5.000 -21.628 -21.628
  533    H    LEU  34           H        LEU  34  -2.423 -20.803 -20.803
  534    HA   LEU  34           HA       LEU  34  -1.804 -23.553 -23.553
  535   1HB   LEU  34          2HB       LEU  34  -1.142 -21.174 -21.174
  536   2HB   LEU  34          1HB       LEU  34  -0.397 -22.737 -22.737
  537    HG   LEU  34           HG       LEU  34  -3.376 -22.502 -22.502
  538   1HD1  LEU  34          1HD1      LEU  34  -1.716 -21.818 -21.818
  539   2HD1  LEU  34          3HD1      LEU  34  -3.311 -22.539 -22.539
  540   3HD1  LEU  34          2HD1      LEU  34  -3.146 -21.001 -21.001
  541   1HD2  LEU  34          1HD2      LEU  34  -2.223 -24.733 -24.733
  542   2HD2  LEU  34          3HD2      LEU  34  -3.385 -24.561 -24.561
  543   3HD2  LEU  34          2HD2      LEU  34  -1.658 -24.406 -24.406
  544   1HN   NH2  35          1HT       LEU  34  -0.355 -24.140 -24.140
  545   2HN   NH2  35          2HT       LEU  34   1.265 -23.631 -23.631

  Start of MODEL   29
    1   1H    ACE   2          1HA       ACE   2  -3.988  24.802  24.802
    2   2H    ACE   2          2HA       ACE   2  -5.078  24.204  24.204
    3   3H    ACE   2          3HA       ACE   2  -3.932  25.492  25.492
    4    H    CYS   3           H        CYS   3  -1.873  24.981  24.981
    5    HA   CYS   3           HA       CYS   3  -1.075  22.137  22.137
    6   1HB   CYS   3          2HB       CYS   3  -0.018  22.426  22.426
    7   2HB   CYS   3          1HB       CYS   3  -1.778  22.541  22.541
    8    H    GLY   4           H        GLY   4   1.171  21.748  21.748
    9   1HA   GLY   4          2HA       GLY   4   2.937  24.066  24.066
   10   2HA   GLY   4          1HA       GLY   4   2.763  22.948  22.948
   11    H    GLY   5           H        GLY   5   3.068  20.573  20.573
   12   1HA   GLY   5          2HA       GLY   5   5.447  20.395  20.395
   13   2HA   GLY   5          1HA       GLY   5   5.171  19.373  19.373
   14    H    VAL   6           H        VAL   6   2.902  20.298  20.298
   15    HA   VAL   6           HA       VAL   6   1.839  17.696  17.696
   16    HB   VAL   6           HB       VAL   6   0.615  19.732  19.732
   17   1HG1  VAL   6          2HG1      VAL   6   2.622  20.901  20.901
   18   2HG1  VAL   6          1HG1      VAL   6   2.515  19.826  19.826
   19   3HG1  VAL   6          3HG1      VAL   6   1.201  20.950  20.950
   20   1HG2  VAL   6          3HG2      VAL   6   1.131  17.767  17.767
   21   2HG2  VAL   6          2HG2      VAL   6  -0.068  17.591  17.591
   22   3HG2  VAL   6          1HG2      VAL   6  -0.243  18.871  18.871
   23    H    GLN   7           H        GLN   7   4.471  19.377  19.377
   24    HA   GLN   7           HA       GLN   7   4.835  17.603  17.603
   25   1HB   GLN   7          2HB       GLN   7   6.655  19.526  19.526
   26   2HB   GLN   7          1HB       GLN   7   7.264  18.485  18.485
   27   1HG   GLN   7          2HG       GLN   7   5.969  19.514  19.514
   28   2HG   GLN   7          1HG       GLN   7   4.758  20.061  20.061
   29   1HE2  GLN   7          2HE2      GLN   7   6.265  23.216  23.216
   30   2HE2  GLN   7          1HE2      GLN   7   4.852  22.277  22.277
   31    H    ALA   8           H        ALA   8   6.012  17.597  17.597
   32    HA   ALA   8           HA       ALA   8   7.845  15.433  15.433
   33   1HB   ALA   8          1HB       ALA   8   7.824  17.087  17.087
   34   2HB   ALA   8          3HB       ALA   8   6.419  16.229  16.229
   35   3HB   ALA   8          2HB       ALA   8   7.966  15.395  15.395
   36    H    GLU   9           H        GLU   9   4.457  15.658  15.658
   37    HA   GLU   9           HA       GLU   9   4.183  12.868  12.868
   38   1HB   GLU   9          2HB       GLU   9   2.200  15.096  15.096
   39   2HB   GLU   9          1HB       GLU   9   1.691  13.432  13.432
   40   1HG   GLU   9          2HG       GLU   9   3.279  13.552  13.552
   41   2HG   GLU   9          1HG       GLU   9   3.155  15.298  15.298
   42    H    GLU  10           H        GLU  10   3.489  14.911  14.911
   43    HA   GLU  10           HA       GLU  10   2.172  12.964  12.964
   44   1HB   GLU  10          2HB       GLU  10   2.370  15.509  15.509
   45   2HB   GLU  10          1HB       GLU  10   3.911  15.125  15.125
   46   1HG   GLU  10          2HG       GLU  10   2.834  13.668  13.668
   47   2HG   GLU  10          1HG       GLU  10   1.290  13.811  13.811
   48    H    GLN  11           H        GLN  11   5.585  13.926  13.926
   49    HA   GLN  11           HA       GLN  11   6.560  12.202  12.202
   50   1HB   GLN  11          2HB       GLN  11   7.865  13.424  13.424
   51   2HB   GLN  11          1HB       GLN  11   8.752  12.412  12.412
   52   1HG   GLN  11          2HG       GLN  11   8.348  13.921  13.921
   53   2HG   GLN  11          1HG       GLN  11   7.137  14.811  14.811
   54   1HE2  GLN  11          2HE2      GLN  11  11.099  15.605  15.605
   55   2HE2  GLN  11          1HE2      GLN  11  10.620  14.287  14.287
   56    H    LYS  12           H        LYS  12   6.092  11.758  11.758
   57    HA   LYS  12           HA       LYS  12   7.263   9.160   9.160
   58   1HB   LYS  12          2HB       LYS  12   5.516  10.790  10.790
   59   2HB   LYS  12          1HB       LYS  12   5.720   9.069   9.069
   60   1HG   LYS  12          2HG       LYS  12   8.300   9.746   9.746
   61   2HG   LYS  12          1HG       LYS  12   7.699  11.279  11.279
   62   1HD   LYS  12          2HD       LYS  12   8.166  10.294  10.294
   63   2HD   LYS  12          1HD       LYS  12   6.566   9.589   9.589
   64   1HE   LYS  12          2HE       LYS  12   7.668   7.639   7.639
   65   2HE   LYS  12          1HE       LYS  12   9.230   8.318   8.318
   66   1HZ   LYS  12          3HZ       LYS  12   8.465   8.267   8.267
   67   2HZ   LYS  12          2HZ       LYS  12   7.060   7.456   7.456
   68   3HZ   LYS  12          1HZ       LYS  12   8.580   6.725   6.725
   69    H    LEU  13           H        LEU  13   4.025  10.374  10.374
   70    HA   LEU  13           HA       LEU  13   2.604   7.950   7.950
   71   1HB   LEU  13          2HB       LEU  13   2.128  10.549  10.549
   72   2HB   LEU  13          1HB       LEU  13   1.121   9.174   9.174
   73    HG   LEU  13           HG       LEU  13   1.563  10.004  10.004
   74   1HD1  LEU  13          1HD1      LEU  13  -0.484  10.904  10.904
   75   2HD1  LEU  13          3HD1      LEU  13  -0.854  10.892  10.892
   76   3HD1  LEU  13          2HD1      LEU  13   0.467  11.887  11.887
   77   1HD2  LEU  13          3HD2      LEU  13  -0.060   7.981   7.981
   78   2HD2  LEU  13          2HD2      LEU  13   0.680   7.882   7.882
   79   3HD2  LEU  13          1HD2      LEU  13  -0.829   8.768   8.768
   80    H    ILE  14           H        ILE  14   4.528   9.310   9.310
   81    HA   ILE  14           HA       ILE  14   3.669   7.472   7.472
   82    HB   ILE  14           HB       ILE  14   6.217   9.107   9.107
   83   1HG1  ILE  14          2HG1      ILE  14   3.737   9.781   9.781
   84   2HG1  ILE  14          1HG1      ILE  14   3.896  10.278  10.278
   85   1HG2  ILE  14          3HG2      ILE  14   4.803   7.795   7.795
   86   2HG2  ILE  14          2HG2      ILE  14   6.217   8.841   8.841
   87   3HG2  ILE  14          1HG2      ILE  14   6.340   7.283   7.283
   88   1HD1  ILE  14          1HD1      ILE  14   6.178  11.251  11.251
   89   2HD1  ILE  14          3HD1      ILE  14   5.640  11.047  11.047
   90   3HD1  ILE  14          2HD1      ILE  14   4.748  12.108  12.108
   91    H    SER  15           H        SER  15   6.519   7.670   7.670
   92    HA   SER  15           HA       SER  15   7.875   5.420   5.420
   93   1HB   SER  15          2HB       SER  15   7.832   6.433   6.433
   94   2HB   SER  15          1HB       SER  15   9.066   5.407   5.407
   95    HG   SER  15           HG       SER  15   8.476   8.116   8.116
   96    H    GLU  16           H        GLU  16   5.537   5.670   5.670
   97    HA   GLU  16           HA       GLU  16   5.594   2.956   2.956
   98   1HB   GLU  16          2HB       GLU  16   3.379   3.391   3.391
   99   2HB   GLU  16          1HB       GLU  16   4.561   4.638   4.638
  100   1HG   GLU  16          2HG       GLU  16   3.644   6.102   6.102
  101   2HG   GLU  16          1HG       GLU  16   2.498   4.849   4.849
  102    H    GLU  17           H        GLU  17   3.869   4.649   4.649
  103    HA   GLU  17           HA       GLU  17   2.018   2.583   2.583
  104   1HB   GLU  17          2HB       GLU  17   1.854   4.991   4.991
  105   2HB   GLU  17          1HB       GLU  17   3.135   4.646   4.646
  106   1HG   GLU  17          2HG       GLU  17   1.699   2.748   2.748
  107   2HG   GLU  17          1HG       GLU  17   0.395   3.363   3.363
  108    H    ASP  18           H        ASP  18   5.314   3.303   3.303
  109    HA   ASP  18           HA       ASP  18   5.430   1.394   1.394
  110   1HB   ASP  18          2HB       ASP  18   6.998   3.389   3.389
  111   2HB   ASP  18          1HB       ASP  18   7.803   2.368   2.368
  112    H    LEU  19           H        LEU  19   6.259   1.353   1.353
  113    HA   LEU  19           HA       LEU  19   7.516  -1.176  -1.176
  114   1HB   LEU  19          2HB       LEU  19   6.220   0.601   0.601
  115   2HB   LEU  19          1HB       LEU  19   6.517  -1.080  -1.080
  116    HG   LEU  19           HG       LEU  19   8.709   0.509   0.509
  117   1HD1  LEU  19          2HD1      LEU  19   7.790   1.862   1.862
  118   2HD1  LEU  19          1HD1      LEU  19   8.124   0.499   0.499
  119   3HD1  LEU  19          3HD1      LEU  19   9.451   1.328   1.328
  120   1HD2  LEU  19          1HD2      LEU  19   8.385  -1.955  -1.955
  121   2HD2  LEU  19          3HD2      LEU  19   9.434  -1.667  -1.667
  122   3HD2  LEU  19          2HD2      LEU  19   9.875  -1.034  -1.034
  123    H    LEU  20           H        LEU  20   4.141  -0.186  -0.186
  124    HA   LEU  20           HA       LEU  20   3.147  -2.807  -2.807
  125   1HB   LEU  20          2HB       LEU  20   1.946  -0.167  -0.167
  126   2HB   LEU  20          1HB       LEU  20   0.955  -1.609  -1.609
  127    HG   LEU  20           HG       LEU  20   2.415  -0.944  -0.944
  128   1HD1  LEU  20          2HD1      LEU  20  -0.500  -0.572  -0.572
  129   2HD1  LEU  20          1HD1      LEU  20   0.162  -0.358  -0.358
  130   3HD1  LEU  20          3HD1      LEU  20   0.661   0.718   0.718
  131   1HD2  LEU  20          3HD2      LEU  20   0.499  -3.096  -3.096
  132   2HD2  LEU  20          2HD2      LEU  20   2.035  -3.271  -3.271
  133   3HD2  LEU  20          1HD2      LEU  20   0.622  -2.652  -2.652
  134    H    ARG  21           H        ARG  21   3.760  -0.977  -0.977
  135    HA   ARG  21           HA       ARG  21   2.258  -2.493  -2.493
  136   1HB   ARG  21          2HB       ARG  21   4.626  -0.691  -0.691
  137   2HB   ARG  21          1HB       ARG  21   4.284  -1.739  -1.739
  138   1HG   ARG  21          2HG       ARG  21   2.215  -0.747  -0.747
  139   2HG   ARG  21          1HG       ARG  21   2.049  -0.166  -0.166
  140   1HD   ARG  21          2HD       ARG  21   2.560   1.648   1.648
  141   2HD   ARG  21          1HD       ARG  21   3.728   1.531   1.531
  142    HE   ARG  21           HE       ARG  21   5.337   0.986   0.986
  143   1HH1  ARG  21          1HH1      ARG  21   2.162   0.419   0.419
  144   2HH1  ARG  21          2HH1      ARG  21   2.779   0.043   0.043
  145   1HH2  ARG  21          1HH2      ARG  21   6.098   0.488   0.488
  146   2HH2  ARG  21          2HH2      ARG  21   4.988   0.081   0.081
  147    H    LYS  22           H        LYS  22   5.724  -2.739  -2.739
  148    HA   LYS  22           HA       LYS  22   6.216  -5.074  -5.074
  149   1HB   LYS  22          2HB       LYS  22   8.240  -5.316  -5.316
  150   2HB   LYS  22          1HB       LYS  22   8.059  -3.689  -3.689
  151   1HG   LYS  22          2HG       LYS  22   7.163  -2.876  -2.876
  152   2HG   LYS  22          1HG       LYS  22   7.108  -4.510  -4.510
  153   1HD   LYS  22          2HD       LYS  22   9.092  -3.626  -3.626
  154   2HD   LYS  22          1HD       LYS  22   9.659  -4.555  -4.555
  155   1HE   LYS  22          2HE       LYS  22   9.839  -2.565  -2.565
  156   2HE   LYS  22          1HE       LYS  22   9.042  -1.592  -1.592
  157   1HZ   LYS  22          3HZ       LYS  22  11.583  -3.041  -3.041
  158   2HZ   LYS  22          2HZ       LYS  22  11.524  -1.431  -1.431
  159   3HZ   LYS  22          1HZ       LYS  22  10.870  -1.848  -1.848
  160    H    ARG  23           H        ARG  23   4.958  -4.563  -4.563
  161    HA   ARG  23           HA       ARG  23   5.278  -7.203  -7.203
  162   1HB   ARG  23          2HB       ARG  23   4.485  -4.904  -4.904
  163   2HB   ARG  23          1HB       ARG  23   2.905  -5.636  -5.636
  164   1HG   ARG  23          2HG       ARG  23   5.136  -7.233  -7.233
  165   2HG   ARG  23          1HG       ARG  23   4.131  -6.172  -6.172
  166   1HD   ARG  23          2HD       ARG  23   2.752  -7.967  -7.967
  167   2HD   ARG  23          1HD       ARG  23   2.232  -7.492  -7.492
  168    HE   ARG  23           HE       ARG  23   3.266  -9.395  -9.395
  169   1HH1  ARG  23          1HH1      ARG  23   4.581  -8.639  -8.639
  170   2HH1  ARG  23          2HH1      ARG  23   5.534 -10.080 -10.080
  171   1HH2  ARG  23          1HH2      ARG  23   4.523 -11.261 -11.261
  172   2HH2  ARG  23          2HH2      ARG  23   5.502 -11.554 -11.554
  173    H    ARG  24           H        ARG  24   2.502  -5.563  -5.563
  174    HA   ARG  24           HA       ARG  24   0.768  -7.789  -7.789
  175   1HB   ARG  24          2HB       ARG  24   0.125  -5.378  -5.378
  176   2HB   ARG  24          1HB       ARG  24   0.785  -5.578  -5.578
  177   1HG   ARG  24          2HG       ARG  24  -0.791  -7.321  -7.321
  178   2HG   ARG  24          1HG       ARG  24  -1.332  -7.403  -7.403
  179   1HD   ARG  24          2HD       ARG  24  -2.257  -5.157  -5.157
  180   2HD   ARG  24          1HD       ARG  24  -1.616  -4.960  -4.960
  181    HE   ARG  24           HE       ARG  24  -3.386  -7.229  -7.229
  182   1HH1  ARG  24          1HH1      ARG  24  -3.202  -3.780  -3.780
  183   2HH1  ARG  24          2HH1      ARG  24  -4.716  -3.721  -3.721
  184   1HH2  ARG  24          1HH2      ARG  24  -5.354  -7.109  -7.109
  185   2HH2  ARG  24          2HH2      ARG  24  -5.924  -5.589  -5.589
  186    H    GLU  25           H        GLU  25   3.180  -6.655  -6.655
  187    HA   GLU  25           HA       GLU  25   2.560  -8.390  -8.390
  188   1HB   GLU  25          2HB       GLU  25   5.078  -6.983  -6.983
  189   2HB   GLU  25          1HB       GLU  25   5.086  -8.096  -8.096
  190   1HG   GLU  25          2HG       GLU  25   3.128  -6.778  -6.778
  191   2HG   GLU  25          1HG       GLU  25   3.433  -5.581  -5.581
  192    H    GLN  26           H        GLN  26   4.504  -8.818  -8.818
  193    HA   GLN  26           HA       GLN  26   5.730 -11.270 -11.270
  194   1HB   GLN  26          2HB       GLN  26   6.079  -9.605  -9.605
  195   2HB   GLN  26          1HB       GLN  26   5.022 -10.779 -10.779
  196   1HG   GLN  26          2HG       GLN  26   7.377 -11.718 -11.718
  197   2HG   GLN  26          1HG       GLN  26   7.603 -11.186 -11.186
  198   1HE2  GLN  26          2HE2      GLN  26   6.715 -14.893 -14.893
  199   2HE2  GLN  26          1HE2      GLN  26   7.835 -13.968 -13.968
  200    H    LEU  27           H        LEU  27   2.712 -10.507 -10.507
  201    HA   LEU  27           HA       LEU  27   1.980 -13.155 -13.155
  202   1HB   LEU  27          2HB       LEU  27   0.205 -10.766 -10.766
  203   2HB   LEU  27          1HB       LEU  27  -0.313 -12.263 -12.263
  204    HG   LEU  27           HG       LEU  27   1.910 -10.488 -10.488
  205   1HD1  LEU  27          1HD1      LEU  27  -0.997 -10.730 -10.730
  206   2HD1  LEU  27          3HD1      LEU  27   0.240  -9.876  -9.876
  207   3HD1  LEU  27          2HD1      LEU  27  -0.215  -9.303  -9.303
  208   1HD2  LEU  27          3HD2      LEU  27   0.609 -13.049 -13.049
  209   2HD2  LEU  27          2HD2      LEU  27   2.311 -12.588 -12.588
  210   3HD2  LEU  27          1HD2      LEU  27   1.181 -11.930 -11.930
  211    H    LYS  28           H        LYS  28   1.471 -11.182 -11.182
  212    HA   LYS  28           HA       LYS  28  -0.353 -12.868 -12.868
  213   1HB   LYS  28          2HB       LYS  28   0.530 -10.454 -10.454
  214   2HB   LYS  28          1HB       LYS  28   1.721 -11.348 -11.348
  215   1HG   LYS  28          2HG       LYS  28  -0.261 -12.637 -12.637
  216   2HG   LYS  28          1HG       LYS  28  -1.290 -11.399 -11.399
  217   1HD   LYS  28          2HD       LYS  28   1.054 -10.627 -10.627
  218   2HD   LYS  28          1HD       LYS  28  -0.496 -11.054 -11.054
  219   1HE   LYS  28          2HE       LYS  28  -0.903  -8.817  -8.817
  220   2HE   LYS  28          1HE       LYS  28  -1.362  -9.352  -9.352
  221   1HZ   LYS  28          2HZ       LYS  28   1.152  -9.045  -9.045
  222   2HZ   LYS  28          1HZ       LYS  28   1.106  -8.026  -8.026
  223   3HZ   LYS  28          3HZ       LYS  28   0.129  -7.689  -7.689
  224    H    HIS  29           H        HIS  29   3.139 -12.930 -12.930
  225    HA   HIS  29           HA       HIS  29   3.616 -14.874 -14.874
  226   1HB   HIS  29          2HB       HIS  29   5.269 -14.054 -14.054
  227   2HB   HIS  29          1HB       HIS  29   5.829 -15.141 -15.141
  228    HD1  HIS  29           HD1      HIS  29   4.583 -13.644 -13.644
  229    HD2  HIS  29           HD2      HIS  29   6.767 -11.790 -11.790
  230    HE1  HIS  29           HE1      HIS  29   5.473 -11.483 -11.483
  231    H    LYS  30           H        LYS  30   3.050 -15.009 -15.009
  232    HA   LYS  30           HA       LYS  30   3.617 -17.726 -17.726
  233   1HB   LYS  30          2HB       LYS  30   3.049 -15.838 -15.838
  234   2HB   LYS  30          1HB       LYS  30   1.378 -16.340 -16.340
  235   1HG   LYS  30          2HG       LYS  30   1.679 -18.359 -18.359
  236   2HG   LYS  30          1HG       LYS  30   3.342 -18.519 -18.519
  237   1HD   LYS  30          2HD       LYS  30   2.782 -16.326 -16.326
  238   2HD   LYS  30          1HD       LYS  30   2.751 -17.975 -17.975
  239   1HE   LYS  30          2HE       LYS  30   5.000 -18.381 -18.381
  240   2HE   LYS  30          1HE       LYS  30   5.032 -16.758 -16.758
  241   1HZ   LYS  30          1HZ       LYS  30   4.595 -17.227 -17.227
  242   2HZ   LYS  30          3HZ       LYS  30   6.153 -17.082 -17.082
  243   3HZ   LYS  30          2HZ       LYS  30   5.058 -15.789 -15.789
  244    H    LEU  31           H        LEU  31   0.846 -16.148 -16.148
  245    HA   LEU  31           HA       LEU  31  -0.651 -18.682 -18.682
  246   1HB   LEU  31          2HB       LEU  31  -1.388 -15.808 -15.808
  247   2HB   LEU  31          1HB       LEU  31  -2.364 -16.981 -16.981
  248    HG   LEU  31           HG       LEU  31  -1.700 -17.427 -17.427
  249   1HD1  LEU  31          1HD1      LEU  31  -3.858 -15.678 -15.678
  250   2HD1  LEU  31          3HD1      LEU  31  -4.025 -16.411 -16.411
  251   3HD1  LEU  31          2HD1      LEU  31  -2.712 -15.276 -15.276
  252   1HD2  LEU  31          2HD2      LEU  31  -2.751 -19.147 -19.147
  253   2HD2  LEU  31          1HD2      LEU  31  -3.494 -18.947 -18.947
  254   3HD2  LEU  31          3HD2      LEU  31  -4.212 -18.172 -18.172
  255    H    GLU  32           H        GLU  32   1.015 -16.402 -16.402
  256    HA   GLU  32           HA       GLU  32   0.101 -17.819 -17.819
  257   1HB   GLU  32          2HB       GLU  32   0.230 -15.221 -15.221
  258   2HB   GLU  32          1HB       GLU  32   1.952 -15.458 -15.458
  259   1HG   GLU  32          2HG       GLU  32   1.255 -15.266 -15.266
  260   2HG   GLU  32          1HG       GLU  32   0.956 -16.992 -16.992
  261    H    GLN  33           H        GLN  33   1.949 -19.057 -19.057
  262    HA   GLN  33           HA       GLN  33   4.462 -19.121 -19.121
  263   1HB   GLN  33          2HB       GLN  33   5.308 -20.469 -20.469
  264   2HB   GLN  33          1HB       GLN  33   4.809 -18.832 -18.832
  265   1HG   GLN  33          2HG       GLN  33   2.918 -19.553 -19.553
  266   2HG   GLN  33          1HG       GLN  33   2.775 -21.022 -21.022
  267   1HE2  GLN  33          2HE2      GLN  33   5.430 -22.676 -22.676
  268   2HE2  GLN  33          1HE2      GLN  33   5.018 -22.422 -22.422
  269    H    LEU  34           H        LEU  34   2.018 -20.303 -20.303
  270    HA   LEU  34           HA       LEU  34   1.333 -22.214 -22.214
  271   1HB   LEU  34          2HB       LEU  34   4.258 -22.703 -22.703
  272   2HB   LEU  34          1HB       LEU  34   3.241 -24.034 -24.034
  273    HG   LEU  34           HG       LEU  34   2.329 -22.113 -22.113
  274   1HD1  LEU  34          2HD1      LEU  34   5.204 -21.373 -21.373
  275   2HD1  LEU  34          1HD1      LEU  34   4.305 -20.776 -20.776
  276   3HD1  LEU  34          3HD1      LEU  34   3.781 -20.358 -20.358
  277   1HD2  LEU  34          3HD2      LEU  34   4.870 -23.731 -23.731
  278   2HD2  LEU  34          2HD2      LEU  34   3.228 -24.274 -24.274
  279   3HD2  LEU  34          1HD2      LEU  34   3.953 -22.988 -22.988
  280   1HN   NH2  35          1HT       LEU  34   3.567 -23.904 -23.904
  281   2HN   NH2  35          2HT       LEU  34   2.342 -24.705 -24.705
  282   1H    ACE   2          1HA       ACE   2  -1.686  28.530  28.530
  283   2H    ACE   2          2HA       ACE   2  -1.533  29.142  29.142
  284   3H    ACE   2          3HA       ACE   2  -0.110  29.032  29.032
  285    H    CYS   3           H        CYS   3  -1.295  26.400  26.400
  286    HA   CYS   3           HA       CYS   3   0.201  24.667  24.667
  287   1HB   CYS   3          2HB       CYS   3  -1.889  23.971  23.971
  288   2HB   CYS   3          1HB       CYS   3  -0.718  22.854  22.854
  289    H    GLY   4           H        GLY   4  -0.434  23.241  23.241
  290   1HA   GLY   4          2HA       GLY   4  -2.823  23.851  23.851
  291   2HA   GLY   4          1HA       GLY   4  -1.681  22.561  22.561
  292    H    GLY   5           H        GLY   5  -3.366  21.099  21.099
  293   1HA   GLY   5          2HA       GLY   5  -5.453  20.498  20.498
  294   2HA   GLY   5          1HA       GLY   5  -4.974  19.511  19.511
  295    H    MET   6           H        MET   6  -3.947  20.406  20.406
  296    HA   MET   6           HA       MET   6  -2.148  18.221  18.221
  297   1HB   MET   6          2HB       MET   6  -2.326  18.775  18.775
  298   2HB   MET   6          1HB       MET   6  -1.883  20.142  20.142
  299   1HG   MET   6          2HG       MET   6  -4.052  21.085  21.085
  300   2HG   MET   6          1HG       MET   6  -4.762  19.584  19.584
  301   1HE   MET   6          3HE       MET   6  -5.872  21.492  21.492
  302   2HE   MET   6          2HE       MET   6  -5.057  22.311  22.311
  303   3HE   MET   6          1HE       MET   6  -4.728  22.800  22.800
  304    H    ARG   7           H        ARG   7  -5.587  18.635  18.635
  305    HA   ARG   7           HA       ARG   7  -5.876  16.166  16.166
  306   1HB   ARG   7          2HB       ARG   7  -7.376  18.304  18.304
  307   2HB   ARG   7          1HB       ARG   7  -8.163  17.604  17.604
  308   1HG   ARG   7          2HG       ARG   7  -9.421  16.623  16.623
  309   2HG   ARG   7          1HG       ARG   7  -8.151  15.411  15.411
  310   1HD   ARG   7          2HD       ARG   7  -6.898  16.415  16.415
  311   2HD   ARG   7          1HD       ARG   7  -8.111  17.681  17.681
  312    HE   ARG   7           HE       ARG   7  -9.454  16.178  16.178
  313   1HH1  ARG   7          1HH1      ARG   7  -6.938  14.437  14.437
  314   2HH1  ARG   7          2HH1      ARG   7  -7.333  12.922  12.922
  315   1HH2  ARG   7          1HH2      ARG   7  -9.937  14.184  14.184
  316   2HH2  ARG   7          2HH2      ARG   7  -9.017  12.778  12.778
  317    H    ARG   8           H        ARG   8  -6.400  17.316  17.316
  318    HA   ARG   8           HA       ARG   8  -7.702  15.003  15.003
  319   1HB   ARG   8          2HB       ARG   8  -7.422  17.349  17.349
  320   2HB   ARG   8          1HB       ARG   8  -5.902  16.700  16.700
  321   1HG   ARG   8          2HG       ARG   8  -7.344  16.091  16.091
  322   2HG   ARG   8          1HG       ARG   8  -7.423  14.653  14.653
  323   1HD   ARG   8          2HD       ARG   8  -9.525  15.204  15.204
  324   2HD   ARG   8          1HD       ARG   8  -9.328  16.916  16.916
  325    HE   ARG   8           HE       ARG   8  -9.334  15.657  15.657
  326   1HH1  ARG   8          1HH1      ARG   8 -11.514  15.887  15.887
  327   2HH1  ARG   8          2HH1      ARG   8 -12.933  15.708  15.708
  328   1HH2  ARG   8          1HH2      ARG   8 -11.208  15.425  15.425
  329   2HH2  ARG   8          2HH2      ARG   8 -12.763  15.447  15.447
  330    H    LYS   9           H        LYS   9  -4.312  15.892  15.892
  331    HA   LYS   9           HA       LYS   9  -3.336  13.590  13.590
  332   1HB   LYS   9          2HB       LYS   9  -2.191  15.942  15.942
  333   2HB   LYS   9          1HB       LYS   9  -1.590  15.059  15.059
  334   1HG   LYS   9          2HG       LYS   9   0.062  14.558  14.558
  335   2HG   LYS   9          1HG       LYS   9  -1.039  13.202  13.202
  336   1HD   LYS   9          2HD       LYS   9  -2.155  14.969  14.969
  337   2HD   LYS   9          1HD       LYS   9  -0.488  15.545  15.545
  338   1HE   LYS   9          2HE       LYS   9   0.328  13.455  13.455
  339   2HE   LYS   9          1HE       LYS   9  -1.157  12.619  12.619
  340   1HZ   LYS   9          3HZ       LYS   9  -1.175  14.789  14.789
  341   2HZ   LYS   9          2HZ       LYS   9  -0.803  13.192  13.192
  342   3HZ   LYS   9          1HZ       LYS   9  -2.316  13.557  13.557
  343    H    ASN  10           H        ASN  10  -3.500  14.574  14.574
  344    HA   ASN  10           HA       ASN  10  -2.328  12.243  12.243
  345   1HB   ASN  10          2HB       ASN  10  -4.037  14.443  14.443
  346   2HB   ASN  10          1HB       ASN  10  -3.874  12.977  12.977
  347   1HD2  ASN  10          2HD2      ASN  10  -0.725  15.521  15.521
  348   2HD2  ASN  10          1HD2      ASN  10  -2.172  15.805  15.805
  349    H    ASP  11           H        ASP  11  -5.673  13.083  13.083
  350    HA   ASP  11           HA       ASP  11  -6.917  10.828  10.828
  351   1HB   ASP  11          2HB       ASP  11  -8.090  12.895  12.895
  352   2HB   ASP  11          1HB       ASP  11  -7.842  12.282  12.282
  353    H    THR  12           H        THR  12  -5.656  11.410  11.410
  354    HA   THR  12           HA       THR  12  -6.416   8.891   8.891
  355    HB   THR  12           HB       THR  12  -4.379   9.490   9.490
  356    HG1  THR  12           HG1      THR  12  -3.557  11.386  11.386
  357   1HG2  THR  12          1HG2      THR  12  -6.919  11.135  11.135
  358   2HG2  THR  12          3HG2      THR  12  -5.903  10.958  10.958
  359   3HG2  THR  12          2HG2      THR  12  -6.764   9.561   9.561
  360    H    HIS  13           H        HIS  13  -3.625  10.021  10.021
  361    HA   HIS  13           HA       HIS  13  -1.950   7.770   7.770
  362   1HB   HIS  13          2HB       HIS  13  -1.985   9.932   9.932
  363   2HB   HIS  13          1HB       HIS  13  -0.859   8.581   8.581
  364    HD1  HIS  13           HD1      HIS  13   0.335   8.138   8.138
  365    HD2  HIS  13           HD2      HIS  13  -0.803  11.999  11.999
  366    HE1  HIS  13           HE1      HIS  13   1.648   9.714   9.714
  367    H    GLN  14           H        GLN  14  -3.970   8.675   8.675
  368    HA   GLN  14           HA       GLN  14  -3.566   6.344   6.344
  369   1HB   GLN  14          2HB       GLN  14  -4.775   8.601   8.601
  370   2HB   GLN  14          1HB       GLN  14  -6.214   7.744   7.744
  371   1HG   GLN  14          2HG       GLN  14  -5.826   5.953   5.953
  372   2HG   GLN  14          1HG       GLN  14  -4.293   6.675   6.675
  373   1HE2  GLN  14          2HE2      GLN  14  -7.768   8.089   8.089
  374   2HE2  GLN  14          1HE2      GLN  14  -7.767   6.839   6.839
  375    H    GLN  15           H        GLN  15  -5.701   7.018   7.018
  376    HA   GLN  15           HA       GLN  15  -7.431   4.783   4.783
  377   1HB   GLN  15          2HB       GLN  15  -7.543   6.931   6.931
  378   2HB   GLN  15          1HB       GLN  15  -6.818   5.803   5.803
  379   1HG   GLN  15          2HG       GLN  15  -8.638   4.228   4.228
  380   2HG   GLN  15          1HG       GLN  15  -9.324   5.217   5.217
  381   1HE2  GLN  15          2HE2      GLN  15 -10.654   7.674   7.674
  382   2HE2  GLN  15          1HE2      GLN  15 -10.086   7.453   7.453
  383    H    ASP  16           H        ASP  16  -4.516   5.312   5.312
  384    HA   ASP  16           HA       ASP  16  -4.445   2.780   2.780
  385   1HB   ASP  16          2HB       ASP  16  -2.978   4.997   4.997
  386   2HB   ASP  16          1HB       ASP  16  -1.866   4.088   4.088
  387    H    ILE  17           H        ILE  17  -2.872   3.959   3.959
  388    HA   ILE  17           HA       ILE  17  -1.516   1.590   1.590
  389    HB   ILE  17           HB       ILE  17  -2.458   3.988   3.988
  390   1HG1  ILE  17          2HG1      ILE  17   0.177   3.711   3.711
  391   2HG1  ILE  17          1HG1      ILE  17   0.078   2.824   2.824
  392   1HG2  ILE  17          2HG2      ILE  17  -1.609   1.358   1.358
  393   2HG2  ILE  17          1HG2      ILE  17  -1.004   2.834   2.834
  394   3HG2  ILE  17          3HG2      ILE  17  -2.741   2.549   2.549
  395   1HD1  ILE  17          2HD1      ILE  17  -1.060   5.602   5.602
  396   2HD1  ILE  17          1HD1      ILE  17   0.543   5.289   5.289
  397   3HD1  ILE  17          3HD1      ILE  17  -0.892   4.725   4.725
  398    H    ASP  18           H        ASP  18  -4.347   2.808   2.808
  399    HA   ASP  18           HA       ASP  18  -5.045   0.570   0.570
  400   1HB   ASP  18          2HB       ASP  18  -6.587   2.886   2.886
  401   2HB   ASP  18          1HB       ASP  18  -7.518   1.505   1.505
  402    H    ASP  19           H        ASP  19  -5.603   1.176   1.176
  403    HA   ASP  19           HA       ASP  19  -7.476  -0.977  -0.977
  404   1HB   ASP  19          2HB       ASP  19  -7.300   1.002   1.002
  405   2HB   ASP  19          1HB       ASP  19  -5.746   0.375   0.375
  406    H    LEU  20           H        LEU  20  -3.994  -0.533  -0.533
  407    HA   LEU  20           HA       LEU  20  -3.480  -3.095  -3.095
  408   1HB   LEU  20          2HB       LEU  20  -1.678  -1.169  -1.169
  409   2HB   LEU  20          1HB       LEU  20  -1.112  -2.635  -2.635
  410    HG   LEU  20           HG       LEU  20  -2.791  -0.687  -0.687
  411   1HD1  LEU  20          2HD1      LEU  20  -0.879   0.529   0.529
  412   2HD1  LEU  20          1HD1      LEU  20   0.214  -0.444  -0.444
  413   3HD1  LEU  20          3HD1      LEU  20  -0.913   0.670   0.670
  414   1HD2  LEU  20          2HD2      LEU  20  -2.106  -2.959  -2.959
  415   2HD2  LEU  20          1HD2      LEU  20  -1.569  -1.613  -1.613
  416   3HD2  LEU  20          3HD2      LEU  20  -0.429  -2.416  -2.416
  417    H    LYS  21           H        LYS  21  -3.551  -1.825  -1.825
  418    HA   LYS  21           HA       LYS  21  -2.454  -4.070  -4.070
  419   1HB   LYS  21          2HB       LYS  21  -3.113  -1.637  -1.637
  420   2HB   LYS  21          1HB       LYS  21  -4.590  -2.476  -2.476
  421   1HG   LYS  21          2HG       LYS  21  -3.312  -2.861  -2.861
  422   2HG   LYS  21          1HG       LYS  21  -2.840  -4.263  -4.263
  423   1HD   LYS  21          2HD       LYS  21  -1.026  -2.567  -2.567
  424   2HD   LYS  21          1HD       LYS  21  -1.298  -1.770  -1.770
  425   1HE   LYS  21          2HE       LYS  21  -0.717  -4.730  -4.730
  426   2HE   LYS  21          1HE       LYS  21   0.552  -3.524  -3.524
  427   1HZ   LYS  21          2HZ       LYS  21  -0.577  -2.769  -2.769
  428   2HZ   LYS  21          1HZ       LYS  21  -1.743  -3.990  -3.990
  429   3HZ   LYS  21          3HZ       LYS  21  -0.124  -4.403  -4.403
  430    H    ARG  22           H        ARG  22  -5.799  -3.183  -3.183
  431    HA   ARG  22           HA       ARG  22  -7.058  -5.366  -5.366
  432   1HB   ARG  22          2HB       ARG  22  -7.839  -3.518  -3.518
  433   2HB   ARG  22          1HB       ARG  22  -8.860  -4.890  -4.890
  434   1HG   ARG  22          2HG       ARG  22  -8.436  -3.919  -3.919
  435   2HG   ARG  22          1HG       ARG  22  -8.274  -2.421  -2.421
  436   1HD   ARG  22          2HD       ARG  22 -10.478  -3.343  -3.343
  437   2HD   ARG  22          1HD       ARG  22 -10.659  -4.185  -4.185
  438    HE   ARG  22           HE       ARG  22 -10.086  -1.373  -1.373
  439   1HH1  ARG  22          1HH1      ARG  22 -12.609  -3.739  -3.739
  440   2HH1  ARG  22          2HH1      ARG  22 -13.852  -2.730  -2.730
  441   1HH2  ARG  22          1HH2      ARG  22 -11.737  -0.088  -0.088
  442   2HH2  ARG  22          2HH2      ARG  22 -13.364  -0.680  -0.680
  443    H    GLN  23           H        GLN  23  -5.612  -4.970  -4.970
  444    HA   GLN  23           HA       GLN  23  -6.543  -7.516  -7.516
  445   1HB   GLN  23          2HB       GLN  23  -4.791  -5.331  -5.331
  446   2HB   GLN  23          1HB       GLN  23  -4.574  -6.938  -6.938
  447   1HG   GLN  23          2HG       GLN  23  -7.313  -5.694  -5.694
  448   2HG   GLN  23          1HG       GLN  23  -6.296  -5.391  -5.391
  449   1HE2  GLN  23          2HE2      GLN  23  -7.745  -8.304  -8.304
  450   2HE2  GLN  23          1HE2      GLN  23  -7.592  -6.617  -6.617
  451    H    ASN  24           H        ASN  24  -3.523  -6.216  -6.216
  452    HA   ASN  24           HA       ASN  24  -1.959  -8.549  -8.549
  453   1HB   ASN  24          2HB       ASN  24  -1.710  -6.210  -6.210
  454   2HB   ASN  24          1HB       ASN  24  -0.548  -7.536  -7.536
  455   1HD2  ASN  24          2HD2      ASN  24   0.796  -5.010  -5.010
  456   2HD2  ASN  24          1HD2      ASN  24   0.536  -5.130  -5.130
  457    H    ALA  25           H        ALA  25  -4.148  -7.509  -7.509
  458    HA   ALA  25           HA       ALA  25  -3.406  -9.654  -9.654
  459   1HB   ALA  25          2HB       ALA  25  -5.674  -7.652  -7.652
  460   2HB   ALA  25          1HB       ALA  25  -5.387  -8.850  -8.850
  461   3HB   ALA  25          3HB       ALA  25  -4.186  -7.598  -7.598
  462    H    LEU  26           H        LEU  26  -6.034  -8.920  -8.920
  463    HA   LEU  26           HA       LEU  26  -7.594 -11.232 -11.232
  464   1HB   LEU  26          2HB       LEU  26  -8.474  -9.138  -9.138
  465   2HB   LEU  26          1HB       LEU  26  -7.663  -9.670  -9.670
  466    HG   LEU  26           HG       LEU  26  -8.930 -11.927 -11.927
  467   1HD1  LEU  26          3HD1      LEU  26 -10.420  -9.901  -9.901
  468   2HD1  LEU  26          2HD1      LEU  26 -11.229 -11.318 -11.318
  469   3HD1  LEU  26          1HD1      LEU  26  -9.888 -11.519 -11.519
  470   1HD2  LEU  26          1HD2      LEU  26  -9.269 -10.209 -10.209
  471   2HD2  LEU  26          3HD2      LEU  26 -10.672 -11.201 -11.201
  472   3HD2  LEU  26          2HD2      LEU  26 -10.569  -9.540  -9.540
  473    H    LEU  27           H        LEU  27  -5.101 -10.485 -10.485
  474    HA   LEU  27           HA       LEU  27  -5.388 -12.830 -12.830
  475   1HB   LEU  27          2HB       LEU  27  -3.139 -10.875 -10.875
  476   2HB   LEU  27          1HB       LEU  27  -2.914 -12.317 -12.317
  477    HG   LEU  27           HG       LEU  27  -5.151 -10.316 -10.316
  478   1HD1  LEU  27          2HD1      LEU  27  -2.625  -9.616  -9.616
  479   2HD1  LEU  27          1HD1      LEU  27  -2.801 -10.599 -10.599
  480   3HD1  LEU  27          3HD1      LEU  27  -3.856  -9.210  -9.210
  481   1HD2  LEU  27          1HD2      LEU  27  -4.218 -12.832 -12.832
  482   2HD2  LEU  27          3HD2      LEU  27  -5.862 -12.268 -12.268
  483   3HD2  LEU  27          2HD2      LEU  27  -4.907 -11.558 -11.558
  484    H    GLU  28           H        GLU  28  -2.964 -12.011 -12.011
  485    HA   GLU  28           HA       GLU  28  -1.746 -14.534 -14.534
  486   1HB   GLU  28          2HB       GLU  28  -0.848 -12.432 -12.432
  487   2HB   GLU  28          1HB       GLU  28  -2.080 -12.562 -12.562
  488   1HG   GLU  28          2HG       GLU  28  -0.468 -13.740 -13.740
  489   2HG   GLU  28          1HG       GLU  28  -1.025 -15.070 -15.070
  490    H    GLN  29           H        GLN  29  -4.449 -13.173 -13.173
  491    HA   GLN  29           HA       GLN  29  -4.860 -15.262 -15.262
  492   1HB   GLN  29          2HB       GLN  29  -6.598 -13.145 -13.145
  493   2HB   GLN  29          1HB       GLN  29  -7.383 -14.474 -14.474
  494   1HG   GLN  29          2HG       GLN  29  -5.635 -14.017 -14.017
  495   2HG   GLN  29          1HG       GLN  29  -5.404 -12.464 -12.464
  496   1HE2  GLN  29          2HE2      GLN  29  -8.332 -12.583 -12.583
  497   2HE2  GLN  29          1HE2      GLN  29  -6.850 -13.406 -13.406
  498    H    GLN  30           H        GLN  30  -5.753 -14.970 -14.970
  499    HA   GLN  30           HA       GLN  30  -7.383 -17.385 -17.385
  500   1HB   GLN  30          2HB       GLN  30  -6.611 -15.403 -15.403
  501   2HB   GLN  30          1HB       GLN  30  -7.323 -16.958 -16.958
  502   1HG   GLN  30          2HG       GLN  30  -9.174 -16.413 -16.413
  503   2HG   GLN  30          1HG       GLN  30  -8.533 -14.770 -14.770
  504   1HE2  GLN  30          2HE2      GLN  30 -10.261 -16.161 -16.161
  505   2HE2  GLN  30          1HE2      GLN  30  -9.588 -17.275 -17.275
  506    H    VAL  31           H        VAL  31  -4.225 -16.309 -16.309
  507    HA   VAL  31           HA       VAL  31  -3.480 -18.646 -18.646
  508    HB   VAL  31           HB       VAL  31  -1.682 -16.716 -16.716
  509   1HG1  VAL  31          2HG1      VAL  31  -1.178 -18.644 -18.644
  510   2HG1  VAL  31          1HG1      VAL  31  -0.023 -17.433 -17.433
  511   3HG1  VAL  31          3HG1      VAL  31  -0.508 -18.746 -18.746
  512   1HG2  VAL  31          1HG2      VAL  31  -3.451 -16.137 -16.137
  513   2HG2  VAL  31          3HG2      VAL  31  -2.023 -15.196 -15.196
  514   3HG2  VAL  31          2HG2      VAL  31  -1.925 -16.422 -16.422
  515    H    ARG  32           H        ARG  32  -3.403 -17.784 -17.784
  516    HA   ARG  32           HA       ARG  32  -1.761 -19.987 -19.987
  517   1HB   ARG  32          2HB       ARG  32  -2.127 -17.833 -17.833
  518   2HB   ARG  32          1HB       ARG  32  -3.719 -18.463 -18.463
  519   1HG   ARG  32          2HG       ARG  32  -2.431 -19.207 -19.207
  520   2HG   ARG  32          1HG       ARG  32  -2.371 -20.601 -20.601
  521   1HD   ARG  32          2HD       ARG  32  -0.173 -20.230 -20.230
  522   2HD   ARG  32          1HD       ARG  32  -0.294 -18.490 -18.490
  523    HE   ARG  32           HE       ARG  32   0.402 -18.804 -18.804
  524   1HH1  ARG  32          1HH1      ARG  32  -0.828 -21.832 -21.832
  525   2HH1  ARG  32          2HH1      ARG  32  -0.368 -22.732 -22.732
  526   1HH2  ARG  32          1HH2      ARG  32   0.982 -20.017 -20.017
  527   2HH2  ARG  32          2HH2      ARG  32   0.647 -21.716 -21.716
  528    H    ALA  33           H        ALA  33  -5.191 -19.465 -19.465
  529    HA   ALA  33           HA       ALA  33  -5.809 -22.097 -22.097
  530   1HB   ALA  33          3HB       ALA  33  -7.580 -19.821 -19.821
  531   2HB   ALA  33          2HB       ALA  33  -8.195 -21.384 -21.384
  532   3HB   ALA  33          1HB       ALA  33  -7.290 -20.356 -20.356
  533    H    LEU  34           H        LEU  34  -4.360 -21.808 -21.808
  534    HA   LEU  34           HA       LEU  34  -6.024 -23.578 -23.578
  535   1HB   LEU  34          2HB       LEU  34  -5.607 -20.749 -20.749
  536   2HB   LEU  34          1HB       LEU  34  -5.234 -21.897 -21.897
  537    HG   LEU  34           HG       LEU  34  -7.746 -22.392 -22.392
  538   1HD1  LEU  34          1HD1      LEU  34  -7.527 -19.846 -19.846
  539   2HD1  LEU  34          3HD1      LEU  34  -7.713 -20.270 -20.270
  540   3HD1  LEU  34          2HD1      LEU  34  -8.995 -20.654 -20.654
  541   1HD2  LEU  34          1HD2      LEU  34  -6.612 -23.487 -23.487
  542   2HD2  LEU  34          3HD2      LEU  34  -8.359 -23.438 -23.438
  543   3HD2  LEU  34          2HD2      LEU  34  -7.572 -22.230 -22.230
  544   1HN   NH2  35          1HT       LEU  34  -4.597 -23.968 -23.968
  545   2HN   NH2  35          2HT       LEU  34  -2.957 -24.260 -24.260

  Start of MODEL   30
    1   1H    ACE   2          1HA       ACE   2  -6.229  21.248  21.248
    2   2H    ACE   2          2HA       ACE   2  -5.914  22.837  22.837
    3   3H    ACE   2          3HA       ACE   2  -5.623  22.552  22.552
    4    H    CYS   3           H        CYS   3  -3.973  23.198  23.198
    5    HA   CYS   3           HA       CYS   3  -1.969  21.072  21.072
    6   1HB   CYS   3          2HB       CYS   3  -2.437  23.440  23.440
    7   2HB   CYS   3          1HB       CYS   3  -0.831  22.716  22.716
    8    H    GLY   4           H        GLY   4  -0.453  21.144  21.144
    9   1HA   GLY   4          2HA       GLY   4   0.886  23.692  23.692
   10   2HA   GLY   4          1HA       GLY   4   0.171  22.819  22.819
   11    H    GLY   5           H        GLY   5   0.846  20.493  20.493
   12   1HA   GLY   5          2HA       GLY   5   3.755  20.305  20.305
   13   2HA   GLY   5          1HA       GLY   5   2.849  19.424  19.424
   14    H    VAL   6           H        VAL   6   1.813  19.770  19.770
   15    HA   VAL   6           HA       VAL   6   1.332  17.015  17.015
   16    HB   VAL   6           HB       VAL   6   1.822  19.052  19.052
   17   1HG1  VAL   6          2HG1      VAL   6   0.712  16.291  16.291
   18   2HG1  VAL   6          1HG1      VAL   6  -0.116  17.422  17.422
   19   3HG1  VAL   6          3HG1      VAL   6   1.596  17.073  17.073
   20   1HG2  VAL   6          3HG2      VAL   6  -0.484  18.588  18.588
   21   2HG2  VAL   6          2HG2      VAL   6   0.127  20.101  20.101
   22   3HG2  VAL   6          1HG2      VAL   6  -0.831  19.017  19.017
   23    H    GLN   7           H        GLN   7   4.135  19.026  19.026
   24    HA   GLN   7           HA       GLN   7   5.574  17.269  17.269
   25   1HB   GLN   7          2HB       GLN   7   6.102  19.723  19.723
   26   2HB   GLN   7          1HB       GLN   7   6.897  19.051  19.051
   27   1HG   GLN   7          2HG       GLN   7   8.445  17.812  17.812
   28   2HG   GLN   7          1HG       GLN   7   7.509  18.077  18.077
   29   1HE2  GLN   7          2HE2      GLN   7   9.514  21.350  21.350
   30   2HE2  GLN   7          1HE2      GLN   7   8.789  20.267  20.267
   31    H    ALA   8           H        ALA   8   5.377  17.553  17.553
   32    HA   ALA   8           HA       ALA   8   7.290  15.411  15.411
   33   1HB   ALA   8          3HB       ALA   8   5.502  16.920  16.920
   34   2HB   ALA   8          2HB       ALA   8   6.691  15.711  15.711
   35   3HB   ALA   8          1HB       ALA   8   7.218  17.207  17.207
   36    H    GLU   9           H        GLU   9   3.802  15.885  15.885
   37    HA   GLU   9           HA       GLU   9   3.148  13.350  13.350
   38   1HB   GLU   9          2HB       GLU   9   1.628  15.394  15.394
   39   2HB   GLU   9          1HB       GLU   9   1.381  14.943  14.943
   40   1HG   GLU   9          2HG       GLU   9   0.825  12.584  12.584
   41   2HG   GLU   9          1HG       GLU   9   0.598  13.438  13.438
   42    H    GLU  10           H        GLU  10   3.109  14.566  14.566
   43    HA   GLU  10           HA       GLU  10   2.385  12.127  12.127
   44   1HB   GLU  10          2HB       GLU  10   2.568  14.581  14.581
   45   2HB   GLU  10          1HB       GLU  10   4.184  14.043  14.043
   46   1HG   GLU  10          2HG       GLU  10   3.133  12.029  12.029
   47   2HG   GLU  10          1HG       GLU  10   1.553  12.746  12.746
   48    H    GLN  11           H        GLN  11   5.469  13.430  13.430
   49    HA   GLN  11           HA       GLN  11   7.188  11.683  11.683
   50   1HB   GLN  11          2HB       GLN  11   7.410  13.372  13.372
   51   2HB   GLN  11          1HB       GLN  11   8.626  12.116  12.116
   52   1HG   GLN  11          2HG       GLN  11   9.268  13.015  13.015
   53   2HG   GLN  11          1HG       GLN  11   7.876  14.098  14.098
   54   1HE2  GLN  11          2HE2      GLN  11  10.644  15.057  15.057
   55   2HE2  GLN  11          1HE2      GLN  11  10.113  13.451  13.451
   56    H    LYS  12           H        LYS  12   5.483  11.370  11.370
   57    HA   LYS  12           HA       LYS  12   6.679   8.788   8.788
   58   1HB   LYS  12          2HB       LYS  12   4.692  10.572  10.572
   59   2HB   LYS  12          1HB       LYS  12   4.765   8.868   8.868
   60   1HG   LYS  12          2HG       LYS  12   6.929   9.038   9.038
   61   2HG   LYS  12          1HG       LYS  12   7.321  10.426  10.426
   62   1HD   LYS  12          2HD       LYS  12   6.080  11.917  11.917
   63   2HD   LYS  12          1HD       LYS  12   5.254  10.595  10.595
   64   1HE   LYS  12          2HE       LYS  12   8.225  10.608  10.608
   65   2HE   LYS  12          1HE       LYS  12   7.380  11.863  11.863
   66   1HZ   LYS  12          3HZ       LYS  12   6.497   9.057   9.057
   67   2HZ   LYS  12          2HZ       LYS  12   7.802   9.597   9.597
   68   3HZ   LYS  12          1HZ       LYS  12   6.270  10.313  10.313
   69    H    LEU  13           H        LEU  13   3.700  10.067  10.067
   70    HA   LEU  13           HA       LEU  13   2.172   7.677   7.677
   71   1HB   LEU  13          2HB       LEU  13   2.005  10.233  10.233
   72   2HB   LEU  13          1HB       LEU  13   1.012   8.862   8.862
   73    HG   LEU  13           HG       LEU  13   1.100   9.937   9.937
   74   1HD1  LEU  13          3HD1      LEU  13  -0.801  10.500  10.500
   75   2HD1  LEU  13          2HD1      LEU  13  -1.203  10.820  10.820
   76   3HD1  LEU  13          1HD1      LEU  13   0.142  11.669  11.669
   77   1HD2  LEU  13          2HD2      LEU  13  -0.292   7.722   7.722
   78   2HD2  LEU  13          1HD2      LEU  13   0.222   7.830   7.830
   79   3HD2  LEU  13          3HD2      LEU  13  -1.255   8.638   8.638
   80    H    ILE  14           H        ILE  14   4.171   9.136   9.136
   81    HA   ILE  14           HA       ILE  14   3.743   7.097   7.097
   82    HB   ILE  14           HB       ILE  14   6.115   8.962   8.962
   83   1HG1  ILE  14          2HG1      ILE  14   3.790   9.339   9.339
   84   2HG1  ILE  14          1HG1      ILE  14   3.664   9.879   9.879
   85   1HG2  ILE  14          1HG2      ILE  14   5.051   7.402   7.402
   86   2HG2  ILE  14          3HG2      ILE  14   6.373   8.569   8.569
   87   3HG2  ILE  14          2HG2      ILE  14   6.555   7.075   7.075
   88   1HD1  ILE  14          2HD1      ILE  14   6.096  10.628  10.628
   89   2HD1  ILE  14          1HD1      ILE  14   4.595  11.518  11.518
   90   3HD1  ILE  14          3HD1      ILE  14   5.334  11.481  11.481
   91    H    SER  15           H        SER  15   6.400   7.673   7.673
   92    HA   SER  15           HA       SER  15   7.956   5.439   5.439
   93   1HB   SER  15          2HB       SER  15   7.704   6.675   6.675
   94   2HB   SER  15          1HB       SER  15   9.054   5.721   5.721
   95    HG   SER  15           HG       SER  15   9.384   8.013   8.013
   96    H    GLU  16           H        GLU  16   5.320   5.804   5.804
   97    HA   GLU  16           HA       GLU  16   5.514   3.114   3.114
   98   1HB   GLU  16          2HB       GLU  16   4.498   5.028   5.028
   99   2HB   GLU  16          1HB       GLU  16   3.134   4.974   4.974
  100   1HG   GLU  16          2HG       GLU  16   2.983   2.467   2.467
  101   2HG   GLU  16          1HG       GLU  16   4.023   2.873   2.873
  102    H    GLU  17           H        GLU  17   3.501   4.796   4.796
  103    HA   GLU  17           HA       GLU  17   1.782   2.610   2.610
  104   1HB   GLU  17          2HB       GLU  17   1.343   5.019   5.019
  105   2HB   GLU  17          1HB       GLU  17   2.548   4.857   4.857
  106   1HG   GLU  17          2HG       GLU  17   1.151   2.762   2.762
  107   2HG   GLU  17          1HG       GLU  17  -0.130   3.511   3.511
  108    H    ASP  18           H        ASP  18   4.865   3.704   3.704
  109    HA   ASP  18           HA       ASP  18   4.974   1.981   1.981
  110   1HB   ASP  18          2HB       ASP  18   6.515   3.971   3.971
  111   2HB   ASP  18          1HB       ASP  18   7.415   2.797   2.797
  112    H    LEU  19           H        LEU  19   5.872   1.558   1.558
  113    HA   LEU  19           HA       LEU  19   7.246  -0.894  -0.894
  114   1HB   LEU  19          2HB       LEU  19   5.677   0.311   0.311
  115   2HB   LEU  19          1HB       LEU  19   6.563  -1.207  -1.207
  116    HG   LEU  19           HG       LEU  19   7.924   1.264   1.264
  117   1HD1  LEU  19          2HD1      LEU  19   6.741   1.434   1.434
  118   2HD1  LEU  19          1HD1      LEU  19   8.165   0.525   0.525
  119   3HD1  LEU  19          3HD1      LEU  19   8.352   2.098   2.098
  120   1HD2  LEU  19          3HD2      LEU  19   8.871  -1.213  -1.213
  121   2HD2  LEU  19          2HD2      LEU  19   9.041  -0.918  -0.918
  122   3HD2  LEU  19          1HD2      LEU  19   9.912   0.090   0.090
  123    H    LEU  20           H        LEU  20   3.843  -0.222  -0.222
  124    HA   LEU  20           HA       LEU  20   3.054  -2.958  -2.958
  125   1HB   LEU  20          2HB       LEU  20   1.618  -0.331  -0.331
  126   2HB   LEU  20          1HB       LEU  20   0.717  -1.810  -1.810
  127    HG   LEU  20           HG       LEU  20   2.537  -1.809  -1.809
  128   1HD1  LEU  20          3HD1      LEU  20   1.372   0.365   0.365
  129   2HD1  LEU  20          2HD1      LEU  20  -0.177  -0.453  -0.453
  130   3HD1  LEU  20          1HD1      LEU  20   0.800  -0.762  -0.762
  131   1HD2  LEU  20          2HD2      LEU  20  -0.166  -2.972  -2.972
  132   2HD2  LEU  20          1HD2      LEU  20   1.350  -3.840  -3.840
  133   3HD2  LEU  20          3HD2      LEU  20   0.530  -3.105  -3.105
  134    H    ARG  21           H        ARG  21   3.228  -0.490  -0.490
  135    HA   ARG  21           HA       ARG  21   1.661  -1.752  -1.752
  136   1HB   ARG  21          2HB       ARG  21   3.860   0.287   0.287
  137   2HB   ARG  21          1HB       ARG  21   3.282  -0.416  -0.416
  138   1HG   ARG  21          2HG       ARG  21   1.120   0.449   0.449
  139   2HG   ARG  21          1HG       ARG  21   1.321   0.657   0.657
  140   1HD   ARG  21          2HD       ARG  21   1.402   2.824   2.824
  141   2HD   ARG  21          1HD       ARG  21   2.912   2.475   2.475
  142    HE   ARG  21           HE       ARG  21   3.969   2.345   2.345
  143   1HH1  ARG  21          1HH1      ARG  21   0.500   2.211   2.211
  144   2HH1  ARG  21          2HH1      ARG  21   0.601   2.342   2.342
  145   1HH2  ARG  21          1HH2      ARG  21   4.056   2.514   2.514
  146   2HH2  ARG  21          2HH2      ARG  21   2.596   2.512   2.512
  147    H    LYS  22           H        LYS  22   5.108  -1.958  -1.958
  148    HA   LYS  22           HA       LYS  22   5.884  -3.600  -3.600
  149   1HB   LYS  22          2HB       LYS  22   7.357  -2.350  -2.350
  150   2HB   LYS  22          1HB       LYS  22   7.148  -3.795  -3.795
  151   1HG   LYS  22          2HG       LYS  22   8.334  -5.142  -5.142
  152   2HG   LYS  22          1HG       LYS  22   7.946  -4.140  -4.140
  153   1HD   LYS  22          2HD       LYS  22   9.686  -3.088  -3.088
  154   2HD   LYS  22          1HD       LYS  22  10.370  -4.046  -4.046
  155   1HE   LYS  22          2HE       LYS  22   9.405  -2.455  -2.455
  156   2HE   LYS  22          1HE       LYS  22   8.782  -1.482  -1.482
  157   1HZ   LYS  22          1HZ       LYS  22  11.222  -1.521  -1.521
  158   2HZ   LYS  22          3HZ       LYS  22  11.573  -1.929  -1.929
  159   3HZ   LYS  22          2HZ       LYS  22  10.779  -0.468  -0.468
  160    H    ARG  23           H        ARG  23   4.845  -4.395  -4.395
  161    HA   ARG  23           HA       ARG  23   5.108  -7.205  -7.205
  162   1HB   ARG  23          2HB       ARG  23   4.589  -5.576  -5.576
  163   2HB   ARG  23          1HB       ARG  23   2.956  -6.152  -6.152
  164   1HG   ARG  23          2HG       ARG  23   5.209  -8.131  -8.131
  165   2HG   ARG  23          1HG       ARG  23   4.535  -7.523  -7.523
  166   1HD   ARG  23          2HD       ARG  23   2.504  -8.544  -8.544
  167   2HD   ARG  23          1HD       ARG  23   2.598  -8.400  -8.400
  168    HE   ARG  23           HE       ARG  23   3.582 -10.496 -10.496
  169   1HH1  ARG  23          1HH1      ARG  23   3.831  -9.190  -9.190
  170   2HH1  ARG  23          2HH1      ARG  23   4.480 -10.650 -10.650
  171   1HH2  ARG  23          1HH2      ARG  23   4.431 -12.380 -12.380
  172   2HH2  ARG  23          2HH2      ARG  23   4.819 -12.441 -12.441
  173    H    ARG  24           H        ARG  24   2.437  -4.975  -4.975
  174    HA   ARG  24           HA       ARG  24   0.449  -6.926  -6.926
  175   1HB   ARG  24          2HB       ARG  24   0.438  -4.208  -4.208
  176   2HB   ARG  24          1HB       ARG  24   0.284  -4.415  -4.415
  177   1HG   ARG  24          2HG       ARG  24  -1.414  -6.168  -6.168
  178   2HG   ARG  24          1HG       ARG  24  -1.843  -4.460  -4.460
  179   1HD   ARG  24          2HD       ARG  24  -1.446  -6.226  -6.226
  180   2HD   ARG  24          1HD       ARG  24  -3.007  -5.760  -5.760
  181    HE   ARG  24           HE       ARG  24  -1.327  -3.497  -3.497
  182   1HH1  ARG  24          1HH1      ARG  24  -3.607  -5.818  -5.818
  183   2HH1  ARG  24          2HH1      ARG  24  -4.087  -4.789  -4.789
  184   1HH2  ARG  24          1HH2      ARG  24  -1.985  -2.187  -2.187
  185   2HH2  ARG  24          2HH2      ARG  24  -3.179  -2.750  -2.750
  186    H    GLU  25           H        GLU  25   2.957  -5.491  -5.491
  187    HA   GLU  25           HA       GLU  25   1.997  -6.343  -6.343
  188   1HB   GLU  25          2HB       GLU  25   3.981  -4.715  -4.715
  189   2HB   GLU  25          1HB       GLU  25   4.934  -6.188  -6.188
  190   1HG   GLU  25          2HG       GLU  25   3.647  -6.457  -6.457
  191   2HG   GLU  25          1HG       GLU  25   3.323  -4.732  -4.732
  192    H    GLN  26           H        GLN  26   4.086  -7.847  -7.847
  193    HA   GLN  26           HA       GLN  26   4.822 -10.111 -10.111
  194   1HB   GLN  26          2HB       GLN  26   4.878  -9.425  -9.425
  195   2HB   GLN  26          1HB       GLN  26   5.096 -11.109 -11.109
  196   1HG   GLN  26          2HG       GLN  26   6.666  -8.913  -8.913
  197   2HG   GLN  26          1HG       GLN  26   7.210  -9.612  -9.612
  198   1HE2  GLN  26          2HE2      GLN  26   8.878 -11.971 -11.971
  199   2HE2  GLN  26          1HE2      GLN  26   9.078 -10.610 -10.610
  200    H    LEU  27           H        LEU  27   2.284  -9.590  -9.590
  201    HA   LEU  27           HA       LEU  27   1.207 -12.196 -12.196
  202   1HB   LEU  27          2HB       LEU  27   0.164  -9.513  -9.513
  203   2HB   LEU  27          1HB       LEU  27  -0.950 -10.876 -10.876
  204    HG   LEU  27           HG       LEU  27   1.631 -11.359 -11.359
  205   1HD1  LEU  27          1HD1      LEU  27   0.860  -9.120  -9.120
  206   2HD1  LEU  27          3HD1      LEU  27  -0.668  -9.863  -9.863
  207   3HD1  LEU  27          2HD1      LEU  27   0.834 -10.364 -10.364
  208   1HD2  LEU  27          1HD2      LEU  27  -0.140 -13.093 -13.093
  209   2HD2  LEU  27          3HD2      LEU  27   0.193 -12.778 -12.778
  210   3HD2  LEU  27          2HD2      LEU  27  -1.248 -12.099 -12.099
  211    H    LYS  28           H        LYS  28   0.695  -9.373  -9.373
  212    HA   LYS  28           HA       LYS  28  -1.558 -10.535 -10.535
  213   1HB   LYS  28          2HB       LYS  28  -1.178  -8.037  -8.037
  214   2HB   LYS  28          1HB       LYS  28   0.078  -8.155  -8.155
  215   1HG   LYS  28          2HG       LYS  28  -1.440  -8.644  -8.644
  216   2HG   LYS  28          1HG       LYS  28  -2.636  -9.295  -9.295
  217   1HD   LYS  28          2HD       LYS  28  -3.615  -7.252  -7.252
  218   2HD   LYS  28          1HD       LYS  28  -2.620  -6.795  -6.795
  219   1HE   LYS  28          2HE       LYS  28  -1.040  -5.711  -5.711
  220   2HE   LYS  28          1HE       LYS  28  -1.427  -6.669  -6.669
  221   1HZ   LYS  28          1HZ       LYS  28  -3.309  -4.720  -4.720
  222   2HZ   LYS  28          3HZ       LYS  28  -2.225  -4.315  -4.315
  223   3HZ   LYS  28          2HZ       LYS  28  -3.428  -5.483  -5.483
  224    H    HIS  29           H        HIS  29   1.909 -10.253 -10.253
  225    HA   HIS  29           HA       HIS  29   2.105 -10.882 -10.882
  226   1HB   HIS  29          2HB       HIS  29   3.943 -11.107 -11.107
  227   2HB   HIS  29          1HB       HIS  29   4.382 -11.927 -11.927
  228    HD1  HIS  29           HD1      HIS  29   3.494  -9.986  -9.986
  229    HD2  HIS  29           HD2      HIS  29   5.343  -8.722  -8.722
  230    HE1  HIS  29           HE1      HIS  29   4.476  -7.703  -7.703
  231    H    LYS  30           H        LYS  30   1.677 -12.890 -12.890
  232    HA   LYS  30           HA       LYS  30   2.053 -15.364 -15.364
  233   1HB   LYS  30          2HB       LYS  30   2.586 -14.931 -14.931
  234   2HB   LYS  30          1HB       LYS  30   0.858 -15.204 -15.204
  235   1HG   LYS  30          2HG       LYS  30   1.542 -17.387 -17.387
  236   2HG   LYS  30          1HG       LYS  30   1.418 -17.309 -17.309
  237   1HD   LYS  30          2HD       LYS  30   3.843 -16.607 -16.607
  238   2HD   LYS  30          1HD       LYS  30   3.918 -16.954 -16.954
  239   1HE   LYS  30          2HE       LYS  30   3.241 -18.915 -18.915
  240   2HE   LYS  30          1HE       LYS  30   4.697 -18.909 -18.909
  241   1HZ   LYS  30          2HZ       LYS  30   3.167 -19.147 -19.147
  242   2HZ   LYS  30          1HZ       LYS  30   1.914 -19.460 -19.460
  243   3HZ   LYS  30          3HZ       LYS  30   3.253 -20.499 -20.499
  244    H    LEU  31           H        LEU  31  -0.616 -13.652 -13.652
  245    HA   LEU  31           HA       LEU  31  -2.651 -15.494 -15.494
  246   1HB   LEU  31          2HB       LEU  31  -2.608 -13.326 -13.326
  247   2HB   LEU  31          1HB       LEU  31  -3.329 -12.598 -12.598
  248    HG   LEU  31           HG       LEU  31  -4.381 -15.229 -15.229
  249   1HD1  LEU  31          3HD1      LEU  31  -4.197 -13.376 -13.376
  250   2HD1  LEU  31          2HD1      LEU  31  -5.550 -12.645 -12.645
  251   3HD1  LEU  31          1HD1      LEU  31  -5.704 -14.270 -14.270
  252   1HD2  LEU  31          3HD2      LEU  31  -5.234 -12.965 -12.965
  253   2HD2  LEU  31          2HD2      LEU  31  -5.503 -14.697 -14.697
  254   3HD2  LEU  31          1HD2      LEU  31  -6.498 -13.771 -13.771
  255    H    GLU  32           H        GLU  32  -1.444 -12.597 -12.597
  256    HA   GLU  32           HA       GLU  32  -3.328 -12.595 -12.595
  257   1HB   GLU  32          2HB       GLU  32  -1.777 -10.696 -10.696
  258   2HB   GLU  32          1HB       GLU  32  -0.478 -11.602 -11.602
  259   1HG   GLU  32          2HG       GLU  32  -1.878 -11.685 -11.685
  260   2HG   GLU  32          1HG       GLU  32  -3.027 -10.603 -10.603
  261    H    GLN  33           H        GLN  33  -0.112 -14.046 -14.046
  262    HA   GLN  33           HA       GLN  33   0.101 -15.053 -15.053
  263   1HB   GLN  33          2HB       GLN  33   1.924 -14.880 -14.880
  264   2HB   GLN  33          1HB       GLN  33   1.298 -16.426 -16.426
  265   1HG   GLN  33          2HG       GLN  33   2.056 -17.572 -17.572
  266   2HG   GLN  33          1HG       GLN  33   1.812 -16.201 -16.201
  267   1HE2  GLN  33          2HE2      GLN  33   5.490 -16.890 -16.890
  268   2HE2  GLN  33          1HE2      GLN  33   4.242 -18.041 -18.041
  269    H    LEU  34           H        LEU  34  -0.833 -16.693 -16.693
  270    HA   LEU  34           HA       LEU  34  -2.370 -18.625 -18.625
  271   1HB   LEU  34          2HB       LEU  34  -0.463 -19.078 -19.078
  272   2HB   LEU  34          1HB       LEU  34  -1.877 -20.123 -20.123
  273    HG   LEU  34           HG       LEU  34   0.060 -21.094 -21.094
  274   1HD1  LEU  34          1HD1      LEU  34  -2.466 -21.126 -21.126
  275   2HD1  LEU  34          3HD1      LEU  34  -1.785 -20.238 -20.238
  276   3HD1  LEU  34          2HD1      LEU  34  -1.181 -21.848 -21.848
  277   1HD2  LEU  34          2HD2      LEU  34   0.710 -18.551 -18.551
  278   2HD2  LEU  34          1HD2      LEU  34   1.301 -19.962 -19.962
  279   3HD2  LEU  34          3HD2      LEU  34  -0.091 -19.063 -19.063
  280   1HN   NH2  35          1HT       LEU  34  -2.142 -18.024 -18.024
  281   2HN   NH2  35          2HT       LEU  34  -3.801 -17.722 -17.722
  282   1H    ACE   2          1HA       ACE   2  -4.645  26.004  26.004
  283   2H    ACE   2          2HA       ACE   2  -5.643  25.169  25.169
  284   3H    ACE   2          3HA       ACE   2  -4.302  26.184  26.184
  285    H    CYS   3           H        CYS   3  -5.214  23.129  23.129
  286    HA   CYS   3           HA       CYS   3  -2.434  22.193  22.193
  287   1HB   CYS   3          2HB       CYS   3  -4.957  20.736  20.736
  288   2HB   CYS   3          1HB       CYS   3  -3.299  20.214  20.214
  289    H    GLY   4           H        GLY   4  -5.522  20.776  20.776
  290   1HA   GLY   4          2HA       GLY   4  -6.075  19.828  19.828
  291   2HA   GLY   4          1HA       GLY   4  -4.477  20.263  20.263
  292    H    GLY   5           H        GLY   5  -3.314  18.556  18.556
  293   1HA   GLY   5          2HA       GLY   5  -3.922  15.891  15.891
  294   2HA   GLY   5          1HA       GLY   5  -2.389  16.446  16.446
  295    H    MET   6           H        MET   6  -1.930  18.277  18.277
  296    HA   MET   6           HA       MET   6  -0.380  16.593  16.593
  297   1HB   MET   6          2HB       MET   6  -1.345  19.423  19.423
  298   2HB   MET   6          1HB       MET   6  -0.506  18.648  18.648
  299   1HG   MET   6          2HG       MET   6   0.650  18.533  18.533
  300   2HG   MET   6          1HG       MET   6   0.904  19.955  19.955
  301   1HE   MET   6          1HE       MET   6   2.477  17.536  17.536
  302   2HE   MET   6          3HE       MET   6   3.595  16.701  16.701
  303   3HE   MET   6          2HE       MET   6   1.953  16.100  16.100
  304    H    ARG   7           H        ARG   7  -3.501  18.176  18.176
  305    HA   ARG   7           HA       ARG   7  -3.828  16.870  16.870
  306   1HB   ARG   7          2HB       ARG   7  -4.900  19.065  19.065
  307   2HB   ARG   7          1HB       ARG   7  -5.997  18.138  18.138
  308   1HG   ARG   7          2HG       ARG   7  -7.064  17.141  17.141
  309   2HG   ARG   7          1HG       ARG   7  -5.659  17.310  17.310
  310   1HD   ARG   7          2HD       ARG   7  -6.025  19.785  19.785
  311   2HD   ARG   7          1HD       ARG   7  -7.501  19.530  19.530
  312    HE   ARG   7           HE       ARG   7  -7.149  19.091  19.091
  313   1HH1  ARG   7          1HH1      ARG   7  -8.925  18.069  18.069
  314   2HH1  ARG   7          2HH1      ARG   7 -10.280  17.502  17.502
  315   1HH2  ARG   7          1HH2      ARG   7  -8.937  18.340  18.340
  316   2HH2  ARG   7          2HH2      ARG   7 -10.287  17.653  17.653
  317    H    ARG   8           H        ARG   8  -4.817  16.233  16.233
  318    HA   ARG   8           HA       ARG   8  -6.726  14.203  14.203
  319   1HB   ARG   8          2HB       ARG   8  -6.474  15.406  15.406
  320   2HB   ARG   8          1HB       ARG   8  -5.031  14.435  14.435
  321   1HG   ARG   8          2HG       ARG   8  -6.753  12.470  12.470
  322   2HG   ARG   8          1HG       ARG   8  -7.893  13.626  13.626
  323   1HD   ARG   8          2HD       ARG   8  -6.020  13.765  13.765
  324   2HD   ARG   8          1HD       ARG   8  -5.664  12.141  12.141
  325    HE   ARG   8           HE       ARG   8  -8.381  12.135  12.135
  326   1HH1  ARG   8          1HH1      ARG   8  -5.648  12.932  12.932
  327   2HH1  ARG   8          2HH1      ARG   8  -6.450  12.462  12.462
  328   1HH2  ARG   8          1HH2      ARG   8  -9.392  11.533  11.533
  329   2HH2  ARG   8          2HH2      ARG   8  -8.552  11.677  11.677
  330    H    LYS   9           H        LYS   9  -3.242  14.200  14.200
  331    HA   LYS   9           HA       LYS   9  -2.931  11.371  11.371
  332   1HB   LYS   9          2HB       LYS   9  -1.262  13.353  13.353
  333   2HB   LYS   9          1HB       LYS   9  -0.744  13.087  13.087
  334   1HG   LYS   9          2HG       LYS   9  -0.427  10.677  10.677
  335   2HG   LYS   9          1HG       LYS   9  -0.884  10.982  10.982
  336   1HD   LYS   9          2HD       LYS   9   1.001  12.701  12.701
  337   2HD   LYS   9          1HD       LYS   9   1.536  12.034  12.034
  338   1HE   LYS   9          2HE       LYS   9   2.784  10.823  10.823
  339   2HE   LYS   9          1HE       LYS   9   1.458   9.736   9.736
  340   1HZ   LYS   9          3HZ       LYS   9   0.250  10.780  10.780
  341   2HZ   LYS   9          2HZ       LYS   9   1.747  11.441  11.441
  342   3HZ   LYS   9          1HZ       LYS   9   1.548   9.756   9.756
  343    H    ASN  10           H        ASN  10  -2.967  13.712  13.712
  344    HA   ASN  10           HA       ASN  10  -1.998  12.012  12.012
  345   1HB   ASN  10          2HB       ASN  10  -3.942  14.314  14.314
  346   2HB   ASN  10          1HB       ASN  10  -2.915  13.632  13.632
  347   1HD2  ASN  10          2HD2      ASN  10   0.079  14.865  14.865
  348   2HD2  ASN  10          1HD2      ASN  10  -0.491  13.324  13.324
  349    H    ASP  11           H        ASP  11  -5.290  12.805  12.805
  350    HA   ASP  11           HA       ASP  11  -6.662  11.229  11.229
  351   1HB   ASP  11          2HB       ASP  11  -7.552  13.002  13.002
  352   2HB   ASP  11          1HB       ASP  11  -7.736  11.596  11.596
  353    H    THR  12           H        THR  12  -5.374  10.506  10.506
  354    HA   THR  12           HA       THR  12  -6.427   7.828   7.828
  355    HB   THR  12           HB       THR  12  -4.687   7.626   7.626
  356    HG1  THR  12           HG1      THR  12  -3.351   9.279   9.279
  357   1HG2  THR  12          3HG2      THR  12  -7.263   8.359   8.359
  358   2HG2  THR  12          2HG2      THR  12  -6.569   9.871   9.871
  359   3HG2  THR  12          1HG2      THR  12  -6.307   8.378   8.378
  360    H    HIS  13           H        HIS  13  -3.496   9.356   9.356
  361    HA   HIS  13           HA       HIS  13  -1.780   7.133   7.133
  362   1HB   HIS  13          2HB       HIS  13  -1.938   9.745   9.745
  363   2HB   HIS  13          1HB       HIS  13  -0.924   8.494   8.494
  364    HD1  HIS  13           HD1      HIS  13   0.431   7.170   7.170
  365    HD2  HIS  13           HD2      HIS  13  -0.280  11.277  11.277
  366    HE1  HIS  13           HE1      HIS  13   2.082   8.170   8.170
  367    H    GLN  14           H        GLN  14  -4.175   8.316   8.316
  368    HA   GLN  14           HA       GLN  14  -3.581   6.332   6.332
  369   1HB   GLN  14          2HB       GLN  14  -5.873   8.260   8.260
  370   2HB   GLN  14          1HB       GLN  14  -5.828   7.098   7.098
  371   1HG   GLN  14          2HG       GLN  14  -3.435   8.839   8.839
  372   2HG   GLN  14          1HG       GLN  14  -4.834   9.515   9.515
  373   1HE2  GLN  14          2HE2      GLN  14  -4.067   7.903   7.903
  374   2HE2  GLN  14          1HE2      GLN  14  -4.970   9.089   9.089
  375    H    GLN  15           H        GLN  15  -6.199   6.781   6.781
  376    HA   GLN  15           HA       GLN  15  -7.628   4.430   4.430
  377   1HB   GLN  15          2HB       GLN  15  -8.302   6.441   6.441
  378   2HB   GLN  15          1HB       GLN  15  -7.503   5.530   5.530
  379   1HG   GLN  15          2HG       GLN  15  -9.769   4.829   4.829
  380   2HG   GLN  15          1HG       GLN  15  -8.935   3.531   3.531
  381   1HE2  GLN  15          2HE2      GLN  15 -11.294   6.077   6.077
  382   2HE2  GLN  15          1HE2      GLN  15 -10.532   6.671   6.671
  383    H    ASP  16           H        ASP  16  -5.095   5.067   5.067
  384    HA   ASP  16           HA       ASP  16  -5.065   2.503   2.503
  385   1HB   ASP  16          2HB       ASP  16  -3.924   4.554   4.554
  386   2HB   ASP  16          1HB       ASP  16  -2.685   4.340   4.340
  387    H    ILE  17           H        ILE  17  -3.223   3.874   3.874
  388    HA   ILE  17           HA       ILE  17  -1.556   1.674   1.674
  389    HB   ILE  17           HB       ILE  17  -2.601   3.944   3.944
  390   1HG1  ILE  17          2HG1      ILE  17   0.217   3.102   3.102
  391   2HG1  ILE  17          1HG1      ILE  17  -0.750   4.196   4.196
  392   1HG2  ILE  17          1HG2      ILE  17  -1.297   1.442   1.442
  393   2HG2  ILE  17          3HG2      ILE  17  -0.715   2.968   2.968
  394   3HG2  ILE  17          2HG2      ILE  17  -2.415   2.525   2.525
  395   1HD1  ILE  17          1HD1      ILE  17  -1.079   5.444   5.444
  396   2HD1  ILE  17          3HD1      ILE  17   0.443   4.640   4.640
  397   3HD1  ILE  17          2HD1      ILE  17   0.348   5.739   5.739
  398    H    ASP  18           H        ASP  18  -4.251   2.601   2.601
  399    HA   ASP  18           HA       ASP  18  -4.544   0.293   0.293
  400   1HB   ASP  18          2HB       ASP  18  -6.355   2.514   2.514
  401   2HB   ASP  18          1HB       ASP  18  -7.164   1.036   1.036
  402    H    ASP  19           H        ASP  19  -5.595   0.878   0.878
  403    HA   ASP  19           HA       ASP  19  -7.303  -1.428  -1.428
  404   1HB   ASP  19          2HB       ASP  19  -7.480   0.591   0.591
  405   2HB   ASP  19          1HB       ASP  19  -5.977   0.081   0.081
  406    H    LEU  20           H        LEU  20  -3.944  -0.681  -0.681
  407    HA   LEU  20           HA       LEU  20  -3.355  -3.141  -3.141
  408   1HB   LEU  20          2HB       LEU  20  -1.579  -1.116  -1.116
  409   2HB   LEU  20          1HB       LEU  20  -0.964  -2.512  -2.512
  410    HG   LEU  20           HG       LEU  20  -2.945  -0.726  -0.726
  411   1HD1  LEU  20          1HD1      LEU  20  -0.017  -0.113  -0.113
  412   2HD1  LEU  20          3HD1      LEU  20  -0.957   0.613   0.613
  413   3HD1  LEU  20          2HD1      LEU  20  -1.402   0.912   0.912
  414   1HD2  LEU  20          2HD2      LEU  20  -0.692  -2.576  -2.576
  415   2HD2  LEU  20          1HD2      LEU  20  -2.361  -2.577  -2.577
  416   3HD2  LEU  20          3HD2      LEU  20  -1.232  -1.348  -1.348
  417    H    LYS  21           H        LYS  21  -2.652  -1.965  -1.965
  418    HA   LYS  21           HA       LYS  21  -1.509  -4.339  -4.339
  419   1HB   LYS  21          2HB       LYS  21  -2.087  -3.427  -3.427
  420   2HB   LYS  21          1HB       LYS  21  -1.259  -2.264  -2.264
  421   1HG   LYS  21          2HG       LYS  21  -2.973  -0.875  -0.875
  422   2HG   LYS  21          1HG       LYS  21  -3.894  -1.809  -1.809
  423   1HD   LYS  21          2HD       LYS  21  -5.164  -1.715  -1.715
  424   2HD   LYS  21          1HD       LYS  21  -4.575  -3.363  -3.363
  425   1HE   LYS  21          2HE       LYS  21  -3.183  -3.244  -3.244
  426   2HE   LYS  21          1HE       LYS  21  -2.742  -1.567  -1.567
  427   1HZ   LYS  21          2HZ       LYS  21  -4.888  -0.872  -0.872
  428   2HZ   LYS  21          1HZ       LYS  21  -5.306  -2.487  -2.487
  429   3HZ   LYS  21          3HZ       LYS  21  -4.029  -1.758  -1.758
  430    H    ARG  22           H        ARG  22  -4.848  -3.316  -3.316
  431    HA   ARG  22           HA       ARG  22  -5.949  -5.404  -5.404
  432   1HB   ARG  22          2HB       ARG  22  -7.128  -3.247  -3.247
  433   2HB   ARG  22          1HB       ARG  22  -7.347  -3.835  -3.835
  434   1HG   ARG  22          2HG       ARG  22  -9.322  -4.596  -4.596
  435   2HG   ARG  22          1HG       ARG  22  -8.290  -5.976  -5.976
  436   1HD   ARG  22          2HD       ARG  22  -8.086  -5.373  -5.373
  437   2HD   ARG  22          1HD       ARG  22  -8.435  -3.678  -3.678
  438    HE   ARG  22           HE       ARG  22 -10.701  -5.312  -5.312
  439   1HH1  ARG  22          1HH1      ARG  22  -8.894  -3.923  -3.923
  440   2HH1  ARG  22          2HH1      ARG  22 -10.260  -3.888  -3.888
  441   1HH2  ARG  22          1HH2      ARG  22 -12.458  -5.249  -5.249
  442   2HH2  ARG  22          2HH2      ARG  22 -12.262  -4.632  -4.632
  443    H    GLN  23           H        GLN  23  -5.592  -4.896  -4.896
  444    HA   GLN  23           HA       GLN  23  -6.790  -7.350  -7.350
  445   1HB   GLN  23          2HB       GLN  23  -4.994  -5.362  -5.362
  446   2HB   GLN  23          1HB       GLN  23  -5.320  -6.915  -6.915
  447   1HG   GLN  23          2HG       GLN  23  -7.606  -5.292  -5.292
  448   2HG   GLN  23          1HG       GLN  23  -6.905  -4.875  -4.875
  449   1HE2  GLN  23          2HE2      GLN  23  -8.350  -7.627  -7.627
  450   2HE2  GLN  23          1HE2      GLN  23  -7.372  -6.244  -6.244
  451    H    ASN  24           H        ASN  24  -3.536  -6.426  -6.426
  452    HA   ASN  24           HA       ASN  24  -2.226  -8.791  -8.791
  453   1HB   ASN  24          2HB       ASN  24  -1.533  -6.575  -6.575
  454   2HB   ASN  24          1HB       ASN  24  -0.549  -8.039  -8.039
  455   1HD2  ASN  24          2HD2      ASN  24   0.779  -5.597  -5.597
  456   2HD2  ASN  24          1HD2      ASN  24   0.457  -5.479  -5.479
  457    H    ALA  25           H        ALA  25  -3.923  -7.899  -7.899
  458    HA   ALA  25           HA       ALA  25  -3.045 -10.121 -10.121
  459   1HB   ALA  25          2HB       ALA  25  -4.073  -7.947  -7.947
  460   2HB   ALA  25          1HB       ALA  25  -5.633  -8.615  -8.615
  461   3HB   ALA  25          3HB       ALA  25  -4.661  -9.437  -9.437
  462    H    LEU  26           H        LEU  26  -5.909  -9.467  -9.467
  463    HA   LEU  26           HA       LEU  26  -7.109 -12.030 -12.030
  464   1HB   LEU  26          2HB       LEU  26  -8.298  -9.827  -9.827
  465   2HB   LEU  26          1HB       LEU  26  -7.851 -10.289 -10.289
  466    HG   LEU  26           HG       LEU  26  -8.936 -12.518 -12.518
  467   1HD1  LEU  26          1HD1      LEU  26  -9.590 -11.161 -11.161
  468   2HD1  LEU  26          3HD1      LEU  26 -10.619 -12.443 -12.443
  469   3HD1  LEU  26          2HD1      LEU  26  -8.927 -12.773 -12.773
  470   1HD2  LEU  26          3HD2      LEU  26 -10.627 -10.022 -10.022
  471   2HD2  LEU  26          2HD2      LEU  26 -10.182 -10.799 -10.799
  472   3HD2  LEU  26          1HD2      LEU  26 -11.283 -11.608 -11.608
  473    H    LEU  27           H        LEU  27  -5.375 -10.564 -10.564
  474    HA   LEU  27           HA       LEU  27  -5.591 -12.738 -12.738
  475   1HB   LEU  27          2HB       LEU  27  -3.531 -10.543 -10.543
  476   2HB   LEU  27          1HB       LEU  27  -3.495 -11.742 -11.742
  477    HG   LEU  27           HG       LEU  27  -5.940 -10.064 -10.064
  478   1HD1  LEU  27          3HD1      LEU  27  -3.855  -8.717  -8.717
  479   2HD1  LEU  27          2HD1      LEU  27  -3.916  -9.544  -9.544
  480   3HD1  LEU  27          1HD1      LEU  27  -5.256  -8.514  -8.514
  481   1HD2  LEU  27          1HD2      LEU  27  -5.023 -11.813 -11.813
  482   2HD2  LEU  27          3HD2      LEU  27  -6.454 -12.023 -12.023
  483   3HD2  LEU  27          2HD2      LEU  27  -6.375 -10.689 -10.689
  484    H    GLU  28           H        GLU  28  -2.898 -11.807 -11.807
  485    HA   GLU  28           HA       GLU  28  -1.235 -14.000 -14.000
  486   1HB   GLU  28          2HB       GLU  28  -0.573 -11.953 -11.953
  487   2HB   GLU  28          1HB       GLU  28  -1.532 -12.529 -12.529
  488   1HG   GLU  28          2HG       GLU  28  -0.018 -14.147 -14.147
  489   2HG   GLU  28          1HG       GLU  28   0.390 -14.486 -14.486
  490    H    GLN  29           H        GLN  29  -3.787 -13.591 -13.591
  491    HA   GLN  29           HA       GLN  29  -3.455 -15.991 -15.991
  492   1HB   GLN  29          2HB       GLN  29  -5.013 -14.072 -14.072
  493   2HB   GLN  29          1HB       GLN  29  -6.139 -14.741 -14.741
  494   1HG   GLN  29          2HG       GLN  29  -6.847 -15.781 -15.781
  495   2HG   GLN  29          1HG       GLN  29  -5.743 -16.986 -16.986
  496   1HE2  GLN  29          2HE2      GLN  29  -4.979 -15.702 -15.702
  497   2HE2  GLN  29          1HE2      GLN  29  -6.503 -15.730 -15.730
  498    H    GLN  30           H        GLN  30  -4.951 -15.347 -15.347
  499    HA   GLN  30           HA       GLN  30  -6.031 -18.062 -18.062
  500   1HB   GLN  30          2HB       GLN  30  -7.050 -15.783 -15.783
  501   2HB   GLN  30          1HB       GLN  30  -6.052 -16.213 -16.213
  502   1HG   GLN  30          2HG       GLN  30  -8.093 -17.287 -17.287
  503   2HG   GLN  30          1HG       GLN  30  -7.118 -18.573 -18.573
  504   1HE2  GLN  30          2HE2      GLN  30 -10.548 -18.183 -18.183
  505   2HE2  GLN  30          1HE2      GLN  30 -10.132 -18.154 -18.154
  506    H    VAL  31           H        VAL  31  -3.462 -16.060 -16.060
  507    HA   VAL  31           HA       VAL  31  -2.605 -17.901 -17.901
  508    HB   VAL  31           HB       VAL  31  -1.023 -15.715 -15.715
  509   1HG1  VAL  31          2HG1      VAL  31  -0.554 -17.477 -17.477
  510   2HG1  VAL  31          1HG1      VAL  31   0.022 -15.812 -15.812
  511   3HG1  VAL  31          3HG1      VAL  31   0.594 -16.892 -16.892
  512   1HG2  VAL  31          1HG2      VAL  31  -3.338 -15.401 -15.401
  513   2HG2  VAL  31          3HG2      VAL  31  -2.072 -14.182 -14.182
  514   3HG2  VAL  31          2HG2      VAL  31  -2.097 -15.258 -15.258
  515    H    ARG  32           H        ARG  32  -1.814 -17.384 -17.384
  516    HA   ARG  32           HA       ARG  32   0.481 -19.033 -19.033
  517   1HB   ARG  32          2HB       ARG  32  -1.525 -18.107 -18.107
  518   2HB   ARG  32          1HB       ARG  32  -0.240 -19.236 -19.236
  519   1HG   ARG  32          2HG       ARG  32   1.226 -17.410 -17.410
  520   2HG   ARG  32          1HG       ARG  32  -0.063 -16.361 -16.361
  521   1HD   ARG  32          2HD       ARG  32   1.382 -16.276 -16.276
  522   2HD   ARG  32          1HD       ARG  32   0.377 -17.643 -17.643
  523    HE   ARG  32           HE       ARG  32   2.420 -18.788 -18.788
  524   1HH1  ARG  32          1HH1      ARG  32   2.261 -16.618 -16.618
  525   2HH1  ARG  32          2HH1      ARG  32   3.739 -17.196 -17.196
  526   1HH2  ARG  32          1HH2      ARG  32   4.342 -19.513 -19.513
  527   2HH2  ARG  32          2HH2      ARG  32   4.908 -18.822 -18.822
  528    H    ALA  33           H        ALA  33  -2.958 -19.704 -19.704
  529    HA   ALA  33           HA       ALA  33  -2.636 -22.441 -22.441
  530   1HB   ALA  33          1HB       ALA  33  -4.935 -20.746 -20.746
  531   2HB   ALA  33          3HB       ALA  33  -5.113 -22.501 -22.501
  532   3HB   ALA  33          2HB       ALA  33  -4.727 -21.637 -21.637
  533    H    LEU  34           H        LEU  34  -3.033 -20.727 -20.727
  534    HA   LEU  34           HA       LEU  34  -2.991 -23.278 -23.278
  535   1HB   LEU  34          2HB       LEU  34  -3.748 -20.461 -20.461
  536   2HB   LEU  34          1HB       LEU  34  -3.382 -21.659 -21.659
  537    HG   LEU  34           HG       LEU  34  -5.805 -21.569 -21.569
  538   1HD1  LEU  34          3HD1      LEU  34  -4.525 -23.749 -23.749
  539   2HD1  LEU  34          2HD1      LEU  34  -4.759 -24.144 -24.144
  540   3HD1  LEU  34          1HD1      LEU  34  -6.155 -23.902 -23.902
  541   1HD2  LEU  34          2HD2      LEU  34  -5.460 -20.886 -20.886
  542   2HD2  LEU  34          1HD2      LEU  34  -6.721 -22.085 -22.085
  543   3HD2  LEU  34          3HD2      LEU  34  -5.150 -22.590 -22.590
  544   1HN   NH2  35          1HT       LEU  34  -0.552 -22.154 -22.154
  545   2HN   NH2  35          2HT       LEU  34   0.563 -21.900 -21.900

  Start of MODEL   31
    1   1H    ACE   2          1HA       ACE   2   4.859  20.527  20.527
    2   2H    ACE   2          2HA       ACE   2   5.452  21.395  21.395
    3   3H    ACE   2          3HA       ACE   2   3.776  20.849  20.849
    4    H    CYS   3           H        CYS   3   5.401  23.542  23.542
    5    HA   CYS   3           HA       CYS   3   5.351  25.637  25.637
    6   1HB   CYS   3          2HB       CYS   3   3.096  26.618  26.618
    7   2HB   CYS   3          1HB       CYS   3   3.453  25.666  25.666
    8    H    GLY   4           H        GLY   4   5.663  23.633  23.633
    9   1HA   GLY   4          2HA       GLY   4   5.407  25.050  25.050
   10   2HA   GLY   4          1HA       GLY   4   3.887  24.170  24.170
   11    H    GLY   5           H        GLY   5   4.226  22.792  22.792
   12   1HA   GLY   5          2HA       GLY   5   6.611  21.062  21.062
   13   2HA   GLY   5          1HA       GLY   5   5.525  21.267  21.267
   14    H    VAL   6           H        VAL   6   4.393  20.779  20.779
   15    HA   VAL   6           HA       VAL   6   2.805  18.518  18.518
   16    HB   VAL   6           HB       VAL   6   3.377  19.497  19.497
   17   1HG1  VAL   6          3HG1      VAL   6   2.304  17.228  17.228
   18   2HG1  VAL   6          2HG1      VAL   6   0.971  18.048  18.048
   19   3HG1  VAL   6          1HG1      VAL   6   1.308  18.386  18.386
   20   1HG2  VAL   6          2HG2      VAL   6   1.232  20.335  20.335
   21   2HG2  VAL   6          1HG2      VAL   6   2.546  21.348  21.348
   22   3HG2  VAL   6          3HG2      VAL   6   1.279  20.806  20.806
   23    H    GLN   7           H        GLN   7   5.858  19.007  19.007
   24    HA   GLN   7           HA       GLN   7   6.177  16.424  16.424
   25   1HB   GLN   7          2HB       GLN   7   8.054  18.628  18.628
   26   2HB   GLN   7          1HB       GLN   7   8.711  17.042  17.042
   27   1HG   GLN   7          2HG       GLN   7   8.013  17.164  17.164
   28   2HG   GLN   7          1HG       GLN   7   6.651  18.219  18.219
   29   1HE2  GLN   7          2HE2      GLN   7   8.492  21.198  21.198
   30   2HE2  GLN   7          1HE2      GLN   7   7.009  20.501  20.501
   31    H    ALA   8           H        ALA   8   6.739  17.729  17.729
   32    HA   ALA   8           HA       ALA   8   8.185  15.449  15.449
   33   1HB   ALA   8          3HB       ALA   8   8.296  17.768  17.768
   34   2HB   ALA   8          2HB       ALA   8   6.673  17.500  17.500
   35   3HB   ALA   8          1HB       ALA   8   8.009  16.478  16.478
   36    H    GLU   9           H        GLU   9   4.849  16.634  16.634
   37    HA   GLU   9           HA       GLU   9   3.909  14.505  14.505
   38   1HB   GLU   9          2HB       GLU   9   2.807  16.819  16.819
   39   2HB   GLU   9          1HB       GLU   9   2.051  15.772  15.772
   40   1HG   GLU   9          2HG       GLU   9   0.527  15.475  15.475
   41   2HG   GLU   9          1HG       GLU   9   1.686  14.237  14.237
   42    H    GLU  10           H        GLU  10   4.046  14.963  14.963
   43    HA   GLU  10           HA       GLU  10   2.645  12.560  12.560
   44   1HB   GLU  10          2HB       GLU  10   4.312  14.535  14.535
   45   2HB   GLU  10          1HB       GLU  10   3.979  12.968  12.968
   46   1HG   GLU  10          2HG       GLU  10   1.593  13.309  13.309
   47   2HG   GLU  10          1HG       GLU  10   1.830  14.773  14.773
   48    H    GLN  11           H        GLN  11   5.990  13.375  13.375
   49    HA   GLN  11           HA       GLN  11   7.237  11.092  11.092
   50   1HB   GLN  11          2HB       GLN  11   8.415  13.151  13.151
   51   2HB   GLN  11          1HB       GLN  11   8.107  12.591  12.591
   52   1HG   GLN  11          2HG       GLN  11   9.315  10.599  10.599
   53   2HG   GLN  11          1HG       GLN  11  10.348  11.952  11.952
   54   1HE2  GLN  11          2HE2      GLN  11  10.506  11.002  11.002
   55   2HE2  GLN  11          1HE2      GLN  11  10.632  12.327  12.327
   56    H    LYS  12           H        LYS  12   5.541  11.636  11.636
   57    HA   LYS  12           HA       LYS  12   6.380   9.146   9.146
   58   1HB   LYS  12          2HB       LYS  12   4.478  11.338  11.338
   59   2HB   LYS  12          1HB       LYS  12   4.316   9.771   9.771
   60   1HG   LYS  12          2HG       LYS  12   6.928  10.001  10.001
   61   2HG   LYS  12          1HG       LYS  12   6.593  11.721  11.721
   62   1HD   LYS  12          2HD       LYS  12   6.400  11.409  11.409
   63   2HD   LYS  12          1HD       LYS  12   4.729  11.343  11.343
   64   1HE   LYS  12          2HE       LYS  12   4.731   9.413   9.413
   65   2HE   LYS  12          1HE       LYS  12   5.356   8.741   8.741
   66   1HZ   LYS  12          2HZ       LYS  12   7.627   9.358   9.358
   67   2HZ   LYS  12          1HZ       LYS  12   6.852   9.523   9.523
   68   3HZ   LYS  12          3HZ       LYS  12   6.839   8.027   8.027
   69    H    LEU  13           H        LEU  13   3.541  10.352  10.352
   70    HA   LEU  13           HA       LEU  13   1.969   7.988   7.988
   71   1HB   LEU  13          2HB       LEU  13   1.769  10.431  10.431
   72   2HB   LEU  13          1HB       LEU  13   0.774   9.029   9.029
   73    HG   LEU  13           HG       LEU  13   0.874   9.953   9.953
   74   1HD1  LEU  13          2HD1      LEU  13  -0.715  11.261  11.261
   75   2HD1  LEU  13          1HD1      LEU  13  -1.058  11.479  11.479
   76   3HD1  LEU  13          3HD1      LEU  13   0.475  12.035  12.035
   77   1HD2  LEU  13          3HD2      LEU  13  -0.393   7.909   7.909
   78   2HD2  LEU  13          2HD2      LEU  13  -1.063   8.729   8.729
   79   3HD2  LEU  13          1HD2      LEU  13  -1.613   9.166   9.166
   80    H    ILE  14           H        ILE  14   3.798   9.285   9.285
   81    HA   ILE  14           HA       ILE  14   3.361   7.115   7.115
   82    HB   ILE  14           HB       ILE  14   5.741   8.991   8.991
   83   1HG1  ILE  14          2HG1      ILE  14   3.266   9.166   9.166
   84   2HG1  ILE  14          1HG1      ILE  14   3.411  10.013  10.013
   85   1HG2  ILE  14          2HG2      ILE  14   4.805   6.929   6.929
   86   2HG2  ILE  14          1HG2      ILE  14   5.558   8.400   8.400
   87   3HG2  ILE  14          3HG2      ILE  14   6.448   7.346   7.346
   88   1HD1  ILE  14          2HD1      ILE  14   5.553  10.286  10.286
   89   2HD1  ILE  14          1HD1      ILE  14   4.096  11.277  11.277
   90   3HD1  ILE  14          3HD1      ILE  14   5.163  11.378  11.378
   91    H    SER  15           H        SER  15   5.991   7.773   7.773
   92    HA   SER  15           HA       SER  15   7.609   5.572   5.572
   93   1HB   SER  15          2HB       SER  15   8.488   7.285   7.285
   94   2HB   SER  15          1HB       SER  15   7.191   7.061   7.061
   95    HG   SER  15           HG       SER  15   8.665   5.799   5.799
   96    H    GLU  16           H        GLU  16   4.892   5.870   5.870
   97    HA   GLU  16           HA       GLU  16   5.107   3.224   3.224
   98   1HB   GLU  16          2HB       GLU  16   3.802   5.296   5.296
   99   2HB   GLU  16          1HB       GLU  16   2.502   4.711   4.711
  100   1HG   GLU  16          2HG       GLU  16   2.092   3.616   3.616
  101   2HG   GLU  16          1HG       GLU  16   2.954   2.401   2.401
  102    H    GLU  17           H        GLU  17   3.009   4.709   4.709
  103    HA   GLU  17           HA       GLU  17   1.578   2.377   2.377
  104   1HB   GLU  17          2HB       GLU  17   2.090   5.012   5.012
  105   2HB   GLU  17          1HB       GLU  17   1.470   3.704   3.704
  106   1HG   GLU  17          2HG       GLU  17  -0.544   4.492   4.492
  107   2HG   GLU  17          1HG       GLU  17  -0.169   3.419   3.419
  108    H    ASP  18           H        ASP  18   4.622   3.730   3.730
  109    HA   ASP  18           HA       ASP  18   5.052   2.079   2.079
  110   1HB   ASP  18          2HB       ASP  18   6.437   4.094   4.094
  111   2HB   ASP  18          1HB       ASP  18   7.277   2.936   2.936
  112    H    LEU  19           H        LEU  19   5.728   1.543   1.543
  113    HA   LEU  19           HA       LEU  19   7.164  -0.877  -0.877
  114   1HB   LEU  19          2HB       LEU  19   5.709   0.493   0.493
  115   2HB   LEU  19          1HB       LEU  19   6.044  -1.228  -1.228
  116    HG   LEU  19           HG       LEU  19   8.231   0.613   0.613
  117   1HD1  LEU  19          3HD1      LEU  19   7.111   1.546   1.546
  118   2HD1  LEU  19          2HD1      LEU  19   7.617   0.067   0.067
  119   3HD1  LEU  19          1HD1      LEU  19   8.827   1.167   1.167
  120   1HD2  LEU  19          3HD2      LEU  19   8.391  -1.932  -1.932
  121   2HD2  LEU  19          2HD2      LEU  19   9.647  -1.081  -1.081
  122   3HD2  LEU  19          1HD2      LEU  19   8.294  -1.822  -1.822
  123    H    LEU  20           H        LEU  20   3.717  -0.193  -0.193
  124    HA   LEU  20           HA       LEU  20   2.896  -2.924  -2.924
  125   1HB   LEU  20          2HB       LEU  20   1.529  -0.286  -0.286
  126   2HB   LEU  20          1HB       LEU  20   0.642  -1.721  -1.721
  127    HG   LEU  20           HG       LEU  20   2.067  -1.635  -1.635
  128   1HD1  LEU  20          3HD1      LEU  20  -0.640  -0.538  -0.538
  129   2HD1  LEU  20          2HD1      LEU  20  -0.325  -1.139  -1.139
  130   3HD1  LEU  20          1HD1      LEU  20   0.614   0.210   0.210
  131   1HD2  LEU  20          2HD2      LEU  20  -0.196  -3.246  -3.246
  132   2HD2  LEU  20          1HD2      LEU  20   1.387  -3.833  -3.833
  133   3HD2  LEU  20          3HD2      LEU  20   0.212  -3.303  -3.303
  134    H    ARG  21           H        ARG  21   3.437  -0.577  -0.577
  135    HA   ARG  21           HA       ARG  21   2.067  -1.860  -1.860
  136   1HB   ARG  21          2HB       ARG  21   4.581  -0.174  -0.174
  137   2HB   ARG  21          1HB       ARG  21   3.583  -0.607  -0.607
  138   1HG   ARG  21          2HG       ARG  21   1.820   0.462   0.462
  139   2HG   ARG  21          1HG       ARG  21   3.211   1.542   1.542
  140   1HD   ARG  21          2HD       ARG  21   2.893   1.281   1.281
  141   2HD   ARG  21          1HD       ARG  21   1.250   0.845   0.845
  142    HE   ARG  21           HE       ARG  21   2.039   3.242   3.242
  143   1HH1  ARG  21          1HH1      ARG  21   1.087   2.007   2.007
  144   2HH1  ARG  21          2HH1      ARG  21   0.445   3.523   3.523
  145   1HH2  ARG  21          1HH2      ARG  21   1.188   5.199   5.199
  146   2HH2  ARG  21          2HH2      ARG  21   0.500   5.316   5.316
  147    H    LYS  22           H        LYS  22   5.393  -2.183  -2.183
  148    HA   LYS  22           HA       LYS  22   6.276  -4.018  -4.018
  149   1HB   LYS  22          2HB       LYS  22   7.219  -3.211  -3.211
  150   2HB   LYS  22          1HB       LYS  22   7.887  -4.674  -4.674
  151   1HG   LYS  22          2HG       LYS  22   7.794  -2.001  -2.001
  152   2HG   LYS  22          1HG       LYS  22   9.195  -2.574  -2.574
  153   1HD   LYS  22          2HD       LYS  22   8.865  -4.738  -4.738
  154   2HD   LYS  22          1HD       LYS  22   8.059  -3.595  -3.595
  155   1HE   LYS  22          2HE       LYS  22  10.072  -2.135  -2.135
  156   2HE   LYS  22          1HE       LYS  22  10.879  -3.340  -3.340
  157   1HZ   LYS  22          2HZ       LYS  22   9.753  -3.951  -3.951
  158   2HZ   LYS  22          1HZ       LYS  22  11.364  -3.469  -3.469
  159   3HZ   LYS  22          3HZ       LYS  22  10.802  -4.910  -4.910
  160    H    ARG  23           H        ARG  23   4.702  -4.418  -4.418
  161    HA   ARG  23           HA       ARG  23   4.953  -7.241  -7.241
  162   1HB   ARG  23          2HB       ARG  23   4.328  -5.704  -5.704
  163   2HB   ARG  23          1HB       ARG  23   2.724  -5.571  -5.571
  164   1HG   ARG  23          2HG       ARG  23   2.448  -7.334  -7.334
  165   2HG   ARG  23          1HG       ARG  23   2.772  -8.181  -8.181
  166   1HD   ARG  23          2HD       ARG  23   5.272  -8.015  -8.015
  167   2HD   ARG  23          1HD       ARG  23   4.601  -7.741  -7.741
  168    HE   ARG  23           HE       ARG  23   3.323  -9.999  -9.999
  169   1HH1  ARG  23          1HH1      ARG  23   6.592  -9.021  -9.021
  170   2HH1  ARG  23          2HH1      ARG  23   7.103 -10.629 -10.629
  171   1HH2  ARG  23          1HH2      ARG  23   4.031 -12.080 -12.080
  172   2HH2  ARG  23          2HH2      ARG  23   5.667 -12.347 -12.347
  173    H    ARG  24           H        ARG  24   2.433  -5.109  -5.109
  174    HA   ARG  24           HA       ARG  24   0.640  -7.220  -7.220
  175   1HB   ARG  24          2HB       ARG  24  -0.028  -4.816  -4.816
  176   2HB   ARG  24          1HB       ARG  24   0.765  -4.446  -4.446
  177   1HG   ARG  24          2HG       ARG  24  -0.698  -6.043  -6.043
  178   2HG   ARG  24          1HG       ARG  24  -1.480  -6.454  -6.454
  179   1HD   ARG  24          2HD       ARG  24  -2.768  -4.786  -4.786
  180   2HD   ARG  24          1HD       ARG  24  -2.324  -4.199  -4.199
  181    HE   ARG  24           HE       ARG  24  -1.020  -2.580  -2.580
  182   1HH1  ARG  24          1HH1      ARG  24  -1.703  -5.136  -5.136
  183   2HH1  ARG  24          2HH1      ARG  24  -0.986  -4.289  -4.289
  184   1HH2  ARG  24          1HH2      ARG  24  -0.097  -1.513  -1.513
  185   2HH2  ARG  24          2HH2      ARG  24  -0.085  -2.255  -2.255
  186    H    GLU  25           H        GLU  25   3.322  -5.613  -5.613
  187    HA   GLU  25           HA       GLU  25   2.828  -6.353  -6.353
  188   1HB   GLU  25          2HB       GLU  25   4.707  -4.840  -4.840
  189   2HB   GLU  25          1HB       GLU  25   5.630  -6.343  -6.343
  190   1HG   GLU  25          2HG       GLU  25   6.098  -5.332  -5.332
  191   2HG   GLU  25          1HG       GLU  25   4.846  -6.515  -6.515
  192    H    GLN  26           H        GLN  26   4.590  -8.035  -8.035
  193    HA   GLN  26           HA       GLN  26   5.372 -10.270 -10.270
  194   1HB   GLN  26          2HB       GLN  26   5.019  -9.927  -9.927
  195   2HB   GLN  26          1HB       GLN  26   5.651 -11.399 -11.399
  196   1HG   GLN  26          2HG       GLN  26   6.869  -8.766  -8.766
  197   2HG   GLN  26          1HG       GLN  26   7.306  -9.494  -9.494
  198   1HE2  GLN  26          2HE2      GLN  26   9.040 -10.889 -10.889
  199   2HE2  GLN  26          1HE2      GLN  26   8.220  -9.405  -9.405
  200    H    LEU  27           H        LEU  27   2.660  -9.738  -9.738
  201    HA   LEU  27           HA       LEU  27   1.492 -12.298 -12.298
  202   1HB   LEU  27          2HB       LEU  27   0.115  -9.673  -9.673
  203   2HB   LEU  27          1HB       LEU  27  -0.528 -11.285 -11.285
  204    HG   LEU  27           HG       LEU  27   2.153 -10.514 -10.514
  205   1HD1  LEU  27          1HD1      LEU  27   0.327  -8.765  -8.765
  206   2HD1  LEU  27          3HD1      LEU  27  -0.426 -10.044 -10.044
  207   3HD1  LEU  27          2HD1      LEU  27   1.195  -9.482  -9.482
  208   1HD2  LEU  27          3HD2      LEU  27   0.847 -12.854 -12.854
  209   2HD2  LEU  27          2HD2      LEU  27   1.830 -12.341 -12.341
  210   3HD2  LEU  27          1HD2      LEU  27   0.080 -12.131 -12.131
  211    H    LYS  28           H        LYS  28   0.988  -9.246  -9.246
  212    HA   LYS  28           HA       LYS  28  -1.115 -10.233 -10.233
  213   1HB   LYS  28          2HB       LYS  28  -0.395  -7.761  -7.761
  214   2HB   LYS  28          1HB       LYS  28   0.648  -7.967  -7.967
  215   1HG   LYS  28          2HG       LYS  28  -1.301  -7.168  -7.168
  216   2HG   LYS  28          1HG       LYS  28  -1.540  -8.911  -8.911
  217   1HD   LYS  28          2HD       LYS  28  -2.704  -8.704  -8.704
  218   2HD   LYS  28          1HD       LYS  28  -2.788  -6.979  -6.979
  219   1HE   LYS  28          2HE       LYS  28  -4.009  -7.425  -7.425
  220   2HE   LYS  28          1HE       LYS  28  -3.841  -9.163  -9.163
  221   1HZ   LYS  28          3HZ       LYS  28  -5.261  -7.303  -7.303
  222   2HZ   LYS  28          2HZ       LYS  28  -6.008  -8.349  -8.349
  223   3HZ   LYS  28          1HZ       LYS  28  -5.127  -8.982  -8.982
  224    H    HIS  29           H        HIS  29   2.380 -10.190 -10.190
  225    HA   HIS  29           HA       HIS  29   2.705 -10.667 -10.667
  226   1HB   HIS  29          2HB       HIS  29   4.367 -11.101 -11.101
  227   2HB   HIS  29          1HB       HIS  29   4.836 -11.954 -11.954
  228    HD1  HIS  29           HD1      HIS  29   4.152  -9.870  -9.870
  229    HD2  HIS  29           HD2      HIS  29   6.088  -8.919  -8.919
  230    HE1  HIS  29           HE1      HIS  29   5.394  -7.701  -7.701
  231    H    LYS  30           H        LYS  30   1.911 -12.787 -12.787
  232    HA   LYS  30           HA       LYS  30   2.147 -15.170 -15.170
  233   1HB   LYS  30          2HB       LYS  30   1.321 -14.919 -14.919
  234   2HB   LYS  30          1HB       LYS  30   1.643 -16.424 -16.424
  235   1HG   LYS  30          2HG       LYS  30   3.944 -15.129 -15.129
  236   2HG   LYS  30          1HG       LYS  30   3.548 -14.376 -14.376
  237   1HD   LYS  30          2HD       LYS  30   4.638 -16.218 -16.218
  238   2HD   LYS  30          1HD       LYS  30   3.044 -16.948 -16.948
  239   1HE   LYS  30          2HE       LYS  30   4.886 -16.952 -16.952
  240   2HE   LYS  30          1HE       LYS  30   5.208 -18.089 -18.089
  241   1HZ   LYS  30          2HZ       LYS  30   2.753 -18.660 -18.660
  242   2HZ   LYS  30          1HZ       LYS  30   2.792 -17.861 -17.861
  243   3HZ   LYS  30          3HZ       LYS  30   3.773 -19.219 -19.219
  244    H    LEU  31           H        LEU  31  -0.279 -13.185 -13.185
  245    HA   LEU  31           HA       LEU  31  -2.492 -14.902 -14.902
  246   1HB   LEU  31          2HB       LEU  31  -2.067 -12.456 -12.456
  247   2HB   LEU  31          1HB       LEU  31  -3.367 -12.187 -12.187
  248    HG   LEU  31           HG       LEU  31  -4.263 -13.013 -13.013
  249   1HD1  LEU  31          2HD1      LEU  31  -5.223 -13.712 -13.712
  250   2HD1  LEU  31          1HD1      LEU  31  -4.442 -15.269 -15.269
  251   3HD1  LEU  31          3HD1      LEU  31  -5.684 -14.695 -14.695
  252   1HD2  LEU  31          2HD2      LEU  31  -2.044 -14.374 -14.374
  253   2HD2  LEU  31          1HD2      LEU  31  -3.565 -14.992 -14.992
  254   3HD2  LEU  31          3HD2      LEU  31  -2.907 -15.656 -15.656
  255    H    GLU  32           H        GLU  32  -0.885 -12.261 -12.261
  256    HA   GLU  32           HA       GLU  32  -2.903 -11.863 -11.863
  257   1HB   GLU  32          2HB       GLU  32  -1.098 -10.198 -10.198
  258   2HB   GLU  32          1HB       GLU  32   0.036 -11.209 -11.209
  259   1HG   GLU  32          2HG       GLU  32  -0.675  -9.595  -9.595
  260   2HG   GLU  32          1HG       GLU  32  -1.635 -11.026 -11.026
  261    H    GLN  33           H        GLN  33   0.328 -13.377 -13.377
  262    HA   GLN  33           HA       GLN  33   0.038 -14.437 -14.437
  263   1HB   GLN  33          2HB       GLN  33   2.131 -14.246 -14.246
  264   2HB   GLN  33          1HB       GLN  33   1.697 -15.927 -15.927
  265   1HG   GLN  33          2HG       GLN  33   1.588 -16.124 -16.124
  266   2HG   GLN  33          1HG       GLN  33   2.557 -14.650 -14.650
  267   1HE2  GLN  33          2HE2      GLN  33   5.295 -16.931 -16.931
  268   2HE2  GLN  33          1HE2      GLN  33   4.396 -15.915 -15.915
  269    H    LEU  34           H        LEU  34   0.056 -16.271 -16.271
  270    HA   LEU  34           HA       LEU  34  -1.430 -18.433 -18.433
  271   1HB   LEU  34          2HB       LEU  34  -0.092 -18.067 -18.067
  272   2HB   LEU  34          1HB       LEU  34  -1.237 -19.383 -19.383
  273    HG   LEU  34           HG       LEU  34   1.085 -20.116 -20.116
  274   1HD1  LEU  34          3HD1      LEU  34  -1.054 -20.792 -20.792
  275   2HD1  LEU  34          2HD1      LEU  34  -0.155 -20.002 -20.002
  276   3HD1  LEU  34          1HD1      LEU  34   0.552 -21.373 -21.373
  277   1HD2  LEU  34          3HD2      LEU  34   1.823 -17.805 -17.805
  278   2HD2  LEU  34          2HD2      LEU  34   2.420 -19.167 -19.167
  279   3HD2  LEU  34          1HD2      LEU  34   1.072 -18.198 -18.198
  280   1HN   NH2  35          1HT       LEU  34  -3.413 -19.329 -19.329
  281   2HN   NH2  35          2HT       LEU  34  -4.488 -18.212 -18.212
  282   1H    ACE   2          1HA       ACE   2   0.587  26.486  26.486
  283   2H    ACE   2          2HA       ACE   2  -0.697  25.277  25.277
  284   3H    ACE   2          3HA       ACE   2   0.555  25.270  25.270
  285    H    CYS   3           H        CYS   3  -0.375  24.145  24.145
  286    HA   CYS   3           HA       CYS   3   2.314  23.358  23.358
  287   1HB   CYS   3          2HB       CYS   3  -0.372  22.752  22.752
  288   2HB   CYS   3          1HB       CYS   3   1.206  22.420  22.420
  289    H    GLY   4           H        GLY   4  -0.764  21.595  21.595
  290   1HA   GLY   4          2HA       GLY   4  -0.432  19.752  19.752
  291   2HA   GLY   4          1HA       GLY   4   0.763  19.169  19.169
  292    H    GLY   5           H        GLY   5  -0.827  17.278  17.278
  293   1HA   GLY   5          2HA       GLY   5  -3.374  17.421  17.421
  294   2HA   GLY   5          1HA       GLY   5  -2.517  15.948  15.948
  295    H    MET   6           H        MET   6  -2.724  18.500  18.500
  296    HA   MET   6           HA       MET   6  -1.079  17.036  17.036
  297   1HB   MET   6          2HB       MET   6  -1.140  19.547  19.547
  298   2HB   MET   6          1HB       MET   6  -2.791  19.478  19.478
  299   1HG   MET   6          2HG       MET   6  -0.721  17.941  17.941
  300   2HG   MET   6          1HG       MET   6  -0.665  19.698  19.698
  301   1HE   MET   6          2HE       MET   6  -2.248  21.105  21.105
  302   2HE   MET   6          1HE       MET   6  -3.885  20.872  20.872
  303   3HE   MET   6          3HE       MET   6  -2.513  20.865  20.865
  304    H    ARG   7           H        ARG   7  -4.501  17.797  17.797
  305    HA   ARG   7           HA       ARG   7  -5.248  16.244  16.244
  306   1HB   ARG   7          2HB       ARG   7  -6.608  18.166  18.166
  307   2HB   ARG   7          1HB       ARG   7  -7.618  16.895  16.895
  308   1HG   ARG   7          2HG       ARG   7  -5.762  18.600  18.600
  309   2HG   ARG   7          1HG       ARG   7  -7.447  19.025  19.025
  310   1HD   ARG   7          2HD       ARG   7  -6.750  16.290  16.290
  311   2HD   ARG   7          1HD       ARG   7  -6.819  17.653  17.653
  312    HE   ARG   7           HE       ARG   7  -9.143  17.814  17.814
  313   1HH1  ARG   7          1HH1      ARG   7  -7.722  15.292  15.292
  314   2HH1  ARG   7          2HH1      ARG   7  -9.249  14.565  14.565
  315   1HH2  ARG   7          1HH2      ARG   7 -11.098  16.827  16.827
  316   2HH2  ARG   7          2HH2      ARG   7 -11.139  15.421  15.421
  317    H    ARG   8           H        ARG   8  -5.295  16.047  16.047
  318    HA   ARG   8           HA       ARG   8  -7.019  13.786  13.786
  319   1HB   ARG   8          2HB       ARG   8  -6.056  15.514  15.514
  320   2HB   ARG   8          1HB       ARG   8  -4.915  14.190  14.190
  321   1HG   ARG   8          2HG       ARG   8  -6.569  13.449  13.449
  322   2HG   ARG   8          1HG       ARG   8  -7.197  12.764  12.764
  323   1HD   ARG   8          2HD       ARG   8  -8.664  14.663  14.663
  324   2HD   ARG   8          1HD       ARG   8  -7.948  15.504  15.504
  325    HE   ARG   8           HE       ARG   8  -9.045  12.956  12.956
  326   1HH1  ARG   8          1HH1      ARG   8  -9.856  16.290  16.290
  327   2HH1  ARG   8          2HH1      ARG   8 -11.285  16.262  16.262
  328   1HH2  ARG   8          1HH2      ARG   8 -10.914  12.962  12.962
  329   2HH2  ARG   8          2HH2      ARG   8 -11.880  14.394  14.394
  330    H    LYS   9           H        LYS   9  -3.524  14.198  14.198
  331    HA   LYS   9           HA       LYS   9  -2.979  11.375  11.375
  332   1HB   LYS   9          2HB       LYS   9  -1.408  13.401  13.401
  333   2HB   LYS   9          1HB       LYS   9  -1.037  13.316  13.316
  334   1HG   LYS   9          2HG       LYS   9   0.545  11.828  11.828
  335   2HG   LYS   9          1HG       LYS   9  -0.808  10.707  10.707
  336   1HD   LYS   9          2HD       LYS   9  -1.318  11.595  11.595
  337   2HD   LYS   9          1HD       LYS   9   0.430  11.831  11.831
  338   1HE   LYS   9          2HE       LYS   9   0.813   9.511   9.511
  339   2HE   LYS   9          1HE       LYS   9  -0.907   9.235   9.235
  340   1HZ   LYS   9          2HZ       LYS   9  -1.205   9.963   9.963
  341   2HZ   LYS   9          1HZ       LYS   9   0.475   9.776   9.776
  342   3HZ   LYS   9          3HZ       LYS   9  -0.488   8.442   8.442
  343    H    ASN  10           H        ASN  10  -3.021  13.717  13.717
  344    HA   ASN  10           HA       ASN  10  -2.223  11.945  11.945
  345   1HB   ASN  10          2HB       ASN  10  -3.791  14.511  14.511
  346   2HB   ASN  10          1HB       ASN  10  -3.572  13.598  13.598
  347   1HD2  ASN  10          2HD2      ASN  10  -0.713  16.038  16.038
  348   2HD2  ASN  10          1HD2      ASN  10  -2.399  16.237  16.237
  349    H    ASP  11           H        ASP  11  -5.426  12.797  12.797
  350    HA   ASP  11           HA       ASP  11  -6.953  11.327  11.327
  351   1HB   ASP  11          2HB       ASP  11  -7.853  13.033  13.033
  352   2HB   ASP  11          1HB       ASP  11  -7.677  11.824  11.824
  353    H    THR  12           H        THR  12  -5.694  10.467  10.467
  354    HA   THR  12           HA       THR  12  -6.730   7.814   7.814
  355    HB   THR  12           HB       THR  12  -4.305   8.794   8.794
  356    HG1  THR  12           HG1      THR  12  -5.747  10.178  10.178
  357   1HG2  THR  12          3HG2      THR  12  -6.386   6.668   6.668
  358   2HG2  THR  12          2HG2      THR  12  -5.037   7.097   7.097
  359   3HG2  THR  12          1HG2      THR  12  -4.730   6.367   6.367
  360    H    HIS  13           H        HIS  13  -3.802   9.289   9.289
  361    HA   HIS  13           HA       HIS  13  -2.204   7.001   7.001
  362   1HB   HIS  13          2HB       HIS  13  -2.330   9.671   9.671
  363   2HB   HIS  13          1HB       HIS  13  -1.312   8.408   8.408
  364    HD1  HIS  13           HD1      HIS  13  -0.107   7.065   7.065
  365    HD2  HIS  13           HD2      HIS  13  -0.617  11.199  11.199
  366    HE1  HIS  13           HE1      HIS  13   1.531   8.053   8.053
  367    H    GLN  14           H        GLN  14  -4.772   8.354   8.354
  368    HA   GLN  14           HA       GLN  14  -4.353   6.594   6.594
  369   1HB   GLN  14          2HB       GLN  14  -5.568   8.852   8.852
  370   2HB   GLN  14          1HB       GLN  14  -6.943   7.987   7.987
  371   1HG   GLN  14          2HG       GLN  14  -7.164   6.589   6.589
  372   2HG   GLN  14          1HG       GLN  14  -5.558   7.008   7.008
  373   1HE2  GLN  14          2HE2      GLN  14  -7.053   9.414   9.414
  374   2HE2  GLN  14          1HE2      GLN  14  -6.029   8.066   8.066
  375    H    GLN  15           H        GLN  15  -6.825   6.747   6.747
  376    HA   GLN  15           HA       GLN  15  -8.147   4.353   4.353
  377   1HB   GLN  15          2HB       GLN  15  -7.938   5.897   5.897
  378   2HB   GLN  15          1HB       GLN  15  -8.876   4.407   4.407
  379   1HG   GLN  15          2HG       GLN  15 -10.257   5.359   5.359
  380   2HG   GLN  15          1HG       GLN  15  -9.256   6.809   6.809
  381   1HE2  GLN  15          2HE2      GLN  15 -11.553   6.283   6.283
  382   2HE2  GLN  15          1HE2      GLN  15 -10.849   4.923   4.923
  383    H    ASP  16           H        ASP  16  -5.321   5.007   5.007
  384    HA   ASP  16           HA       ASP  16  -5.108   2.497   2.497
  385   1HB   ASP  16          2HB       ASP  16  -3.787   4.559   4.559
  386   2HB   ASP  16          1HB       ASP  16  -2.808   4.271   4.271
  387    H    ILE  17           H        ILE  17  -3.878   3.703   3.703
  388    HA   ILE  17           HA       ILE  17  -2.332   1.467   1.467
  389    HB   ILE  17           HB       ILE  17  -3.708   3.659   3.659
  390   1HG1  ILE  17          2HG1      ILE  17  -1.600   4.133   4.133
  391   2HG1  ILE  17          1HG1      ILE  17  -1.387   4.261   4.261
  392   1HG2  ILE  17          1HG2      ILE  17  -2.637   1.106   1.106
  393   2HG2  ILE  17          3HG2      ILE  17  -2.229   2.597   2.597
  394   3HG2  ILE  17          2HG2      ILE  17  -3.918   2.152   2.152
  395   1HD1  ILE  17          1HD1      ILE  17  -0.622   1.785   1.785
  396   2HD1  ILE  17          3HD1      ILE  17  -0.453   2.065   2.065
  397   3HD1  ILE  17          2HD1      ILE  17   0.492   3.017   3.017
  398    H    ASP  18           H        ASP  18  -5.406   2.314   2.314
  399    HA   ASP  18           HA       ASP  18  -5.984  -0.062  -0.062
  400   1HB   ASP  18          2HB       ASP  18  -7.627   2.197   2.197
  401   2HB   ASP  18          1HB       ASP  18  -8.500   0.701   0.701
  402    H    ASP  19           H        ASP  19  -6.332   0.719   0.719
  403    HA   ASP  19           HA       ASP  19  -7.937  -1.588  -1.588
  404   1HB   ASP  19          2HB       ASP  19  -7.866   0.564   0.564
  405   2HB   ASP  19          1HB       ASP  19  -6.268   0.067   0.067
  406    H    LEU  20           H        LEU  20  -4.519  -0.720  -0.720
  407    HA   LEU  20           HA       LEU  20  -3.586  -3.012  -3.012
  408   1HB   LEU  20          2HB       LEU  20  -2.271  -1.070  -1.070
  409   2HB   LEU  20          1HB       LEU  20  -1.395  -2.449  -2.449
  410    HG   LEU  20           HG       LEU  20  -2.929  -0.624  -0.624
  411   1HD1  LEU  20          3HD1      LEU  20  -0.369  -0.059  -0.059
  412   2HD1  LEU  20          2HD1      LEU  20  -0.490   0.419   0.419
  413   3HD1  LEU  20          1HD1      LEU  20  -1.636   1.055   1.055
  414   1HD2  LEU  20          2HD2      LEU  20  -0.797  -2.698  -2.698
  415   2HD2  LEU  20          1HD2      LEU  20  -2.118  -2.357  -2.357
  416   3HD2  LEU  20          3HD2      LEU  20  -0.672  -1.347  -1.347
  417    H    LYS  21           H        LYS  21  -3.982  -2.282  -2.282
  418    HA   LYS  21           HA       LYS  21  -2.865  -4.655  -4.655
  419   1HB   LYS  21          2HB       LYS  21  -4.964  -2.778  -2.778
  420   2HB   LYS  21          1HB       LYS  21  -4.345  -4.154  -4.154
  421   1HG   LYS  21          2HG       LYS  21  -1.996  -3.150  -3.150
  422   2HG   LYS  21          1HG       LYS  21  -2.916  -1.662  -1.662
  423   1HD   LYS  21          2HD       LYS  21  -2.485  -1.428  -1.428
  424   2HD   LYS  21          1HD       LYS  21  -3.921  -2.443  -2.443
  425   1HE   LYS  21          2HE       LYS  21  -2.404  -4.457  -4.457
  426   2HE   LYS  21          1HE       LYS  21  -1.033  -3.353  -3.353
  427   1HZ   LYS  21          3HZ       LYS  21  -3.257  -3.487  -3.487
  428   2HZ   LYS  21          2HZ       LYS  21  -1.712  -4.155  -4.155
  429   3HZ   LYS  21          1HZ       LYS  21  -1.902  -2.472  -2.472
  430    H    ARG  22           H        ARG  22  -6.236  -3.824  -3.824
  431    HA   ARG  22           HA       ARG  22  -7.383  -6.282  -6.282
  432   1HB   ARG  22          2HB       ARG  22  -8.568  -4.078  -4.078
  433   2HB   ARG  22          1HB       ARG  22  -8.422  -4.600  -4.600
  434   1HG   ARG  22          2HG       ARG  22  -9.394  -6.874  -6.874
  435   2HG   ARG  22          1HG       ARG  22 -10.106  -5.708  -5.708
  436   1HD   ARG  22          2HD       ARG  22 -10.266  -5.249  -5.249
  437   2HD   ARG  22          1HD       ARG  22 -11.407  -6.333  -6.333
  438    HE   ARG  22           HE       ARG  22 -11.354  -3.453  -3.453
  439   1HH1  ARG  22          1HH1      ARG  22 -12.295  -6.415  -6.415
  440   2HH1  ARG  22          2HH1      ARG  22 -13.527  -5.645  -5.645
  441   1HH2  ARG  22          1HH2      ARG  22 -12.971  -2.491  -2.491
  442   2HH2  ARG  22          2HH2      ARG  22 -13.908  -3.442  -3.442
  443    H    GLN  23           H        GLN  23  -6.120  -5.152  -5.152
  444    HA   GLN  23           HA       GLN  23  -6.792  -7.525  -7.525
  445   1HB   GLN  23          2HB       GLN  23  -5.130  -5.107  -5.107
  446   2HB   GLN  23          1HB       GLN  23  -4.812  -6.538  -6.538
  447   1HG   GLN  23          2HG       GLN  23  -7.590  -5.406  -5.406
  448   2HG   GLN  23          1HG       GLN  23  -6.553  -4.944  -4.944
  449   1HE2  GLN  23          2HE2      GLN  23  -7.069  -7.957  -7.957
  450   2HE2  GLN  23          1HE2      GLN  23  -6.236  -6.480  -6.480
  451    H    ASN  24           H        ASN  24  -3.707  -6.301  -6.301
  452    HA   ASN  24           HA       ASN  24  -2.155  -8.554  -8.554
  453   1HB   ASN  24          2HB       ASN  24  -1.781  -6.617  -6.617
  454   2HB   ASN  24          1HB       ASN  24  -0.557  -7.727  -7.727
  455   1HD2  ASN  24          2HD2      ASN  24   0.384  -4.851  -4.851
  456   2HD2  ASN  24          1HD2      ASN  24   0.726  -5.707  -5.707
  457    H    ALA  25           H        ALA  25  -4.250  -7.868  -7.868
  458    HA   ALA  25           HA       ALA  25  -3.372  -9.950  -9.950
  459   1HB   ALA  25          3HB       ALA  25  -5.975  -8.442  -8.442
  460   2HB   ALA  25          2HB       ALA  25  -5.732  -9.715  -9.715
  461   3HB   ALA  25          1HB       ALA  25  -4.716  -8.274  -8.274
  462    H    LEU  26           H        LEU  26  -6.243  -9.780  -9.780
  463    HA   LEU  26           HA       LEU  26  -6.881 -12.543 -12.543
  464   1HB   LEU  26          2HB       LEU  26  -7.911 -10.246 -10.246
  465   2HB   LEU  26          1HB       LEU  26  -8.076 -11.779 -11.779
  466    HG   LEU  26           HG       LEU  26 -10.065 -11.328 -11.328
  467   1HD1  LEU  26          1HD1      LEU  26  -8.915 -13.684 -13.684
  468   2HD1  LEU  26          3HD1      LEU  26  -8.621 -13.509 -13.509
  469   3HD1  LEU  26          2HD1      LEU  26 -10.272 -13.484 -13.484
  470   1HD2  LEU  26          3HD2      LEU  26  -7.991 -10.745 -10.745
  471   2HD2  LEU  26          2HD2      LEU  26  -9.638 -10.130 -10.130
  472   3HD2  LEU  26          1HD2      LEU  26  -9.344 -11.705 -11.705
  473    H    LEU  27           H        LEU  27  -4.848 -10.730 -10.730
  474    HA   LEU  27           HA       LEU  27  -4.612 -12.581 -12.581
  475   1HB   LEU  27          2HB       LEU  27  -2.928 -10.355 -10.355
  476   2HB   LEU  27          1HB       LEU  27  -2.180 -11.496 -11.496
  477    HG   LEU  27           HG       LEU  27  -4.850 -10.210 -10.210
  478   1HD1  LEU  27          2HD1      LEU  27  -2.069  -9.143  -9.143
  479   2HD1  LEU  27          1HD1      LEU  27  -3.264  -8.803  -8.803
  480   3HD1  LEU  27          3HD1      LEU  27  -3.553  -8.284  -8.284
  481   1HD2  LEU  27          3HD2      LEU  27  -3.706 -12.324 -12.324
  482   2HD2  LEU  27          2HD2      LEU  27  -4.602 -11.124 -11.124
  483   3HD2  LEU  27          1HD2      LEU  27  -2.842 -11.054 -11.054
  484    H    GLU  28           H        GLU  28  -2.244 -12.042 -12.042
  485    HA   GLU  28           HA       GLU  28  -0.720 -14.333 -14.333
  486   1HB   GLU  28          2HB       GLU  28   0.119 -14.003 -14.003
  487   2HB   GLU  28          1HB       GLU  28   0.069 -12.492 -12.492
  488   1HG   GLU  28          2HG       GLU  28  -2.291 -12.203 -12.203
  489   2HG   GLU  28          1HG       GLU  28  -1.762 -13.437 -13.437
  490    H    GLN  29           H        GLN  29  -3.672 -13.870 -13.870
  491    HA   GLN  29           HA       GLN  29  -3.660 -16.263 -16.263
  492   1HB   GLN  29          2HB       GLN  29  -5.258 -14.267 -14.267
  493   2HB   GLN  29          1HB       GLN  29  -6.160 -14.995 -14.995
  494   1HG   GLN  29          2HG       GLN  29  -6.059 -17.171 -17.171
  495   2HG   GLN  29          1HG       GLN  29  -5.680 -16.084 -16.084
  496   1HE2  GLN  29          2HE2      GLN  29  -8.959 -14.751 -14.751
  497   2HE2  GLN  29          1HE2      GLN  29  -7.349 -14.596 -14.596
  498    H    GLN  30           H        GLN  30  -4.548 -15.553 -15.553
  499    HA   GLN  30           HA       GLN  30  -5.580 -18.262 -18.262
  500   1HB   GLN  30          2HB       GLN  30  -5.341 -15.893 -15.893
  501   2HB   GLN  30          1HB       GLN  30  -6.032 -17.454 -17.454
  502   1HG   GLN  30          2HG       GLN  30  -7.450 -16.991 -16.991
  503   2HG   GLN  30          1HG       GLN  30  -7.143 -15.323 -15.323
  504   1HE2  GLN  30          2HE2      GLN  30  -8.820 -15.915 -15.915
  505   2HE2  GLN  30          1HE2      GLN  30  -7.309 -15.338 -15.338
  506    H    VAL  31           H        VAL  31  -2.866 -16.203 -16.203
  507    HA   VAL  31           HA       VAL  31  -1.674 -17.960 -17.960
  508    HB   VAL  31           HB       VAL  31  -0.278 -15.960 -15.960
  509   1HG1  VAL  31          1HG1      VAL  31   0.497 -17.582 -17.582
  510   2HG1  VAL  31          3HG1      VAL  31   1.084 -15.920 -15.920
  511   3HG1  VAL  31          2HG1      VAL  31   1.479 -17.048 -17.048
  512   1HG2  VAL  31          2HG2      VAL  31  -2.328 -15.356 -15.356
  513   2HG2  VAL  31          1HG2      VAL  31  -0.979 -14.266 -14.266
  514   3HG2  VAL  31          3HG2      VAL  31  -0.974 -15.287 -15.287
  515    H    ARG  32           H        ARG  32  -1.523 -17.725 -17.725
  516    HA   ARG  32           HA       ARG  32   0.639 -19.600 -19.600
  517   1HB   ARG  32          2HB       ARG  32  -0.206 -17.777 -17.777
  518   2HB   ARG  32          1HB       ARG  32  -1.353 -19.022 -19.022
  519   1HG   ARG  32          2HG       ARG  32   0.846 -20.529 -20.529
  520   2HG   ARG  32          1HG       ARG  32   1.621 -18.966 -18.966
  521   1HD   ARG  32          2HD       ARG  32   0.142 -18.539 -18.539
  522   2HD   ARG  32          1HD       ARG  32  -0.657 -20.085 -20.085
  523    HE   ARG  32           HE       ARG  32   1.114 -21.105 -21.105
  524   1HH1  ARG  32          1HH1      ARG  32   2.112 -17.932 -17.932
  525   2HH1  ARG  32          2HH1      ARG  32   3.650 -18.021 -18.021
  526   1HH2  ARG  32          1HH2      ARG  32   3.130 -21.180 -21.180
  527   2HH2  ARG  32          2HH2      ARG  32   4.225 -19.844 -19.844
  528    H    ALA  33           H        ALA  33  -2.882 -19.744 -19.744
  529    HA   ALA  33           HA       ALA  33  -3.041 -22.462 -22.462
  530   1HB   ALA  33          1HB       ALA  33  -5.059 -20.732 -20.732
  531   2HB   ALA  33          3HB       ALA  33  -5.405 -22.316 -22.316
  532   3HB   ALA  33          2HB       ALA  33  -4.947 -20.974 -20.974
  533    H    LEU  34           H        LEU  34  -3.382 -20.887 -20.887
  534    HA   LEU  34           HA       LEU  34  -3.680 -23.342 -23.342
  535   1HB   LEU  34          2HB       LEU  34  -3.291 -20.475 -20.475
  536   2HB   LEU  34          1HB       LEU  34  -2.905 -21.685 -21.685
  537    HG   LEU  34           HG       LEU  34  -5.220 -22.713 -22.713
  538   1HD1  LEU  34          2HD1      LEU  34  -5.273 -20.894 -20.894
  539   2HD1  LEU  34          1HD1      LEU  34  -5.916 -19.870 -19.870
  540   3HD1  LEU  34          3HD1      LEU  34  -6.755 -21.355 -21.355
  541   1HD2  LEU  34          3HD2      LEU  34  -4.671 -20.253 -20.253
  542   2HD2  LEU  34          2HD2      LEU  34  -5.042 -21.890 -21.890
  543   3HD2  LEU  34          1HD2      LEU  34  -6.318 -20.872 -20.872
  544   1HN   NH2  35          1HT       LEU  34  -0.870 -21.155 -21.155
  545   2HN   NH2  35          2HT       LEU  34   0.288 -22.286 -22.286

  Start of MODEL   32
    1   1H    ACE   2          1HA       ACE   2   8.648  21.747  21.747
    2   2H    ACE   2          2HA       ACE   2   9.498  22.924  22.924
    3   3H    ACE   2          3HA       ACE   2   8.442  21.726  21.726
    4    H    CYS   3           H        CYS   3   6.139  21.875  21.875
    5    HA   CYS   3           HA       CYS   3   5.167  24.550  24.550
    6   1HB   CYS   3          2HB       CYS   3   3.845  21.855  21.855
    7   2HB   CYS   3          1HB       CYS   3   2.896  23.340  23.340
    8    H    GLY   4           H        GLY   4   4.570  22.017  22.017
    9   1HA   GLY   4          2HA       GLY   4   5.026  23.608  23.608
   10   2HA   GLY   4          1HA       GLY   4   3.313  23.732  23.732
   11    H    GLY   5           H        GLY   5   5.471  20.953  20.953
   12   1HA   GLY   5          2HA       GLY   5   5.596  19.067  19.067
   13   2HA   GLY   5          1HA       GLY   5   4.026  19.526  19.526
   14    H    VAL   6           H        VAL   6   2.853  20.025  20.025
   15    HA   VAL   6           HA       VAL   6   1.791  17.460  17.460
   16    HB   VAL   6           HB       VAL   6   0.582  19.551  19.551
   17   1HG1  VAL   6          3HG1      VAL   6   2.693  20.716  20.716
   18   2HG1  VAL   6          2HG1      VAL   6   2.428  19.855  19.855
   19   3HG1  VAL   6          1HG1      VAL   6   1.218  20.993  20.993
   20   1HG2  VAL   6          2HG2      VAL   6   0.055  17.403  17.403
   21   2HG2  VAL   6          1HG2      VAL   6  -0.352  18.841  18.841
   22   3HG2  VAL   6          3HG2      VAL   6   1.106  17.925  17.925
   23    H    GLN   7           H        GLN   7   4.460  19.256  19.256
   24    HA   GLN   7           HA       GLN   7   4.860  17.702  17.702
   25   1HB   GLN   7          2HB       GLN   7   5.958  19.916  19.916
   26   2HB   GLN   7          1HB       GLN   7   7.027  19.052  19.052
   27   1HG   GLN   7          2HG       GLN   7   8.015  17.802  17.802
   28   2HG   GLN   7          1HG       GLN   7   6.698  18.154  18.154
   29   1HE2  GLN   7          2HE2      GLN   7   9.826  20.701  20.701
   30   2HE2  GLN   7          1HE2      GLN   7   9.779  19.254  19.254
   31    H    ALA   8           H        ALA   8   5.805  17.256  17.256
   32    HA   ALA   8           HA       ALA   8   7.550  15.014  15.014
   33   1HB   ALA   8          2HB       ALA   8   7.703  16.679  16.679
   34   2HB   ALA   8          1HB       ALA   8   6.474  15.648  15.648
   35   3HB   ALA   8          3HB       ALA   8   8.040  14.972  14.972
   36    H    GLU   9           H        GLU   9   4.250  15.560  15.560
   37    HA   GLU   9           HA       GLU   9   3.673  12.895  12.895
   38   1HB   GLU   9          2HB       GLU   9   2.292  14.934  14.934
   39   2HB   GLU   9          1HB       GLU   9   1.702  14.903  14.903
   40   1HG   GLU   9          2HG       GLU   9   1.066  12.451  12.451
   41   2HG   GLU   9          1HG       GLU   9   1.311  12.825  12.825
   42    H    GLU  10           H        GLU  10   3.613  14.574  14.574
   43    HA   GLU  10           HA       GLU  10   2.239  12.460  12.460
   44   1HB   GLU  10          2HB       GLU  10   2.450  15.018  15.018
   45   2HB   GLU  10          1HB       GLU  10   3.930  14.494  14.494
   46   1HG   GLU  10          2HG       GLU  10   2.281  12.586  12.586
   47   2HG   GLU  10          1HG       GLU  10   1.091  13.864  13.864
   48    H    GLN  11           H        GLN  11   5.577  13.473  13.473
   49    HA   GLN  11           HA       GLN  11   6.804  11.779  11.779
   50   1HB   GLN  11          2HB       GLN  11   7.707  13.205  13.205
   51   2HB   GLN  11          1HB       GLN  11   8.747  11.941  11.941
   52   1HG   GLN  11          2HG       GLN  11   9.061  13.071  13.071
   53   2HG   GLN  11          1HG       GLN  11   7.602  14.040  14.040
   54   1HE2  GLN  11          2HE2      GLN  11  10.864  15.893  15.893
   55   2HE2  GLN  11          1HE2      GLN  11  10.580  14.807  14.807
   56    H    LYS  12           H        LYS  12   5.648  11.239  11.239
   57    HA   LYS  12           HA       LYS  12   6.879   8.625   8.625
   58   1HB   LYS  12          2HB       LYS  12   6.366  10.170  10.170
   59   2HB   LYS  12          1HB       LYS  12   4.669   9.740   9.740
   60   1HG   LYS  12          2HG       LYS  12   5.004   7.525   7.525
   61   2HG   LYS  12          1HG       LYS  12   6.711   7.550   7.550
   62   1HD   LYS  12          2HD       LYS  12   5.636   9.223   9.223
   63   2HD   LYS  12          1HD       LYS  12   6.167   7.558   7.558
   64   1HE   LYS  12          2HE       LYS  12   7.874   9.745   9.745
   65   2HE   LYS  12          1HE       LYS  12   7.977   9.215   9.215
   66   1HZ   LYS  12          1HZ       LYS  12   8.283   6.900   6.900
   67   2HZ   LYS  12          3HZ       LYS  12   8.658   7.727   7.727
   68   3HZ   LYS  12          2HZ       LYS  12   9.598   7.976   7.976
   69    H    LEU  13           H        LEU  13   3.703   9.965   9.965
   70    HA   LEU  13           HA       LEU  13   2.228   7.560   7.560
   71   1HB   LEU  13          2HB       LEU  13   1.858  10.195  10.195
   72   2HB   LEU  13          1HB       LEU  13   0.765   8.849   8.849
   73    HG   LEU  13           HG       LEU  13   1.361   9.499   9.499
   74   1HD1  LEU  13          1HD1      LEU  13   0.856  11.665  11.665
   75   2HD1  LEU  13          3HD1      LEU  13  -0.771  11.010  11.010
   76   3HD1  LEU  13          2HD1      LEU  13  -0.125  11.334  11.334
   77   1HD2  LEU  13          1HD2      LEU  13  -1.075   8.592   8.592
   78   2HD2  LEU  13          3HD2      LEU  13  -0.059   7.594   7.594
   79   3HD2  LEU  13          2HD2      LEU  13  -1.063   8.862   8.862
   80    H    ILE  14           H        ILE  14   4.254   9.053   9.053
   81    HA   ILE  14           HA       ILE  14   3.475   7.282   7.282
   82    HB   ILE  14           HB       ILE  14   5.977   8.974   8.974
   83   1HG1  ILE  14          2HG1      ILE  14   3.626   9.773   9.773
   84   2HG1  ILE  14          1HG1      ILE  14   3.490   9.978   9.978
   85   1HG2  ILE  14          3HG2      ILE  14   4.620   7.551   7.551
   86   2HG2  ILE  14          2HG2      ILE  14   5.746   8.884   8.884
   87   3HG2  ILE  14          1HG2      ILE  14   6.296   7.408   7.408
   88   1HD1  ILE  14          1HD1      ILE  14   5.911  11.036  11.036
   89   2HD1  ILE  14          3HD1      ILE  14   5.343  11.320  11.320
   90   3HD1  ILE  14          2HD1      ILE  14   4.463  12.003  12.003
   91    H    SER  15           H        SER  15   6.454   7.590   7.590
   92    HA   SER  15           HA       SER  15   7.697   5.254   5.254
   93   1HB   SER  15          2HB       SER  15   9.188   5.450   5.450
   94   2HB   SER  15          1HB       SER  15   8.811   7.079   7.079
   95    HG   SER  15           HG       SER  15   7.912   5.691   5.691
   96    H    GLU  16           H        GLU  16   5.354   5.783   5.783
   97    HA   GLU  16           HA       GLU  16   5.573   3.174   3.174
   98   1HB   GLU  16          2HB       GLU  16   4.603   5.203   5.203
   99   2HB   GLU  16          1HB       GLU  16   3.182   5.022   5.022
  100   1HG   GLU  16          2HG       GLU  16   2.983   2.648   2.648
  101   2HG   GLU  16          1HG       GLU  16   4.251   3.023   3.023
  102    H    GLU  17           H        GLU  17   3.525   4.656   4.656
  103    HA   GLU  17           HA       GLU  17   1.787   2.408   2.408
  104   1HB   GLU  17          2HB       GLU  17   1.242   4.760   4.760
  105   2HB   GLU  17          1HB       GLU  17   2.395   4.565   4.565
  106   1HG   GLU  17          2HG       GLU  17   1.094   2.499   2.499
  107   2HG   GLU  17          1HG       GLU  17  -0.136   2.975   2.975
  108    H    ASP  18           H        ASP  18   4.755   3.510   3.510
  109    HA   ASP  18           HA       ASP  18   4.807   1.672   1.672
  110   1HB   ASP  18          2HB       ASP  18   6.317   3.693   3.693
  111   2HB   ASP  18          1HB       ASP  18   7.249   2.703   2.703
  112    H    LEU  19           H        LEU  19   5.654   1.364   1.364
  113    HA   LEU  19           HA       LEU  19   7.085  -1.112  -1.112
  114   1HB   LEU  19          2HB       LEU  19   6.058   0.530   0.530
  115   2HB   LEU  19          1HB       LEU  19   6.427  -1.168  -1.168
  116    HG   LEU  19           HG       LEU  19   8.419   0.488   0.488
  117   1HD1  LEU  19          2HD1      LEU  19   7.731   0.707   0.707
  118   2HD1  LEU  19          1HD1      LEU  19   9.419   0.841   0.841
  119   3HD1  LEU  19          3HD1      LEU  19   8.220   1.972   1.972
  120   1HD2  LEU  19          1HD2      LEU  19   8.496  -2.063  -2.063
  121   2HD2  LEU  19          3HD2      LEU  19   9.948  -1.115  -1.115
  122   3HD2  LEU  19          2HD2      LEU  19   8.887  -1.579  -1.579
  123    H    LEU  20           H        LEU  20   3.761  -0.178  -0.178
  124    HA   LEU  20           HA       LEU  20   2.831  -2.770  -2.770
  125   1HB   LEU  20          2HB       LEU  20   1.563  -0.181  -0.181
  126   2HB   LEU  20          1HB       LEU  20   0.576  -1.639  -1.639
  127    HG   LEU  20           HG       LEU  20   2.211  -0.977  -0.977
  128   1HD1  LEU  20          3HD1      LEU  20   0.440   0.798   0.798
  129   2HD1  LEU  20          2HD1      LEU  20  -0.742  -0.431  -0.431
  130   3HD1  LEU  20          1HD1      LEU  20   0.393   0.181   0.181
  131   1HD2  LEU  20          1HD2      LEU  20   0.122  -2.965  -2.965
  132   2HD2  LEU  20          3HD2      LEU  20   1.551  -3.186  -3.186
  133   3HD2  LEU  20          2HD2      LEU  20   0.121  -2.395  -2.395
  134    H    ARG  21           H        ARG  21   2.741  -0.930  -0.930
  135    HA   ARG  21           HA       ARG  21   1.379  -2.839  -2.839
  136   1HB   ARG  21          2HB       ARG  21   2.438  -1.696  -1.696
  137   2HB   ARG  21          1HB       ARG  21   1.684  -0.576  -0.576
  138   1HG   ARG  21          2HG       ARG  21   3.811  -0.012  -0.012
  139   2HG   ARG  21          1HG       ARG  21   4.623  -1.292  -1.292
  140   1HD   ARG  21          2HD       ARG  21   3.531   0.022   0.022
  141   2HD   ARG  21          1HD       ARG  21   3.663   1.368   1.368
  142    HE   ARG  21           HE       ARG  21   6.130   0.133   0.133
  143   1HH1  ARG  21          1HH1      ARG  21   4.105   1.571   1.571
  144   2HH1  ARG  21          2HH1      ARG  21   5.445   2.055   2.055
  145   1HH2  ARG  21          1HH2      ARG  21   7.850   0.783   0.783
  146   2HH2  ARG  21          2HH2      ARG  21   7.548   1.614   1.614
  147    H    LYS  22           H        LYS  22   4.734  -2.594  -2.594
  148    HA   LYS  22           HA       LYS  22   5.774  -4.477  -4.477
  149   1HB   LYS  22          2HB       LYS  22   7.081  -2.760  -2.760
  150   2HB   LYS  22          1HB       LYS  22   6.960  -3.937  -3.937
  151   1HG   LYS  22          2HG       LYS  22   9.017  -4.444  -4.444
  152   2HG   LYS  22          1HG       LYS  22   7.886  -5.649  -5.649
  153   1HD   LYS  22          2HD       LYS  22   7.578  -4.423  -4.423
  154   2HD   LYS  22          1HD       LYS  22   8.476  -3.041  -3.041
  155   1HE   LYS  22          2HE       LYS  22   9.748  -5.768  -5.768
  156   2HE   LYS  22          1HE       LYS  22   9.735  -4.651  -4.651
  157   1HZ   LYS  22          3HZ       LYS  22  10.751  -3.952  -3.952
  158   2HZ   LYS  22          2HZ       LYS  22  11.739  -4.495  -4.495
  159   3HZ   LYS  22          1HZ       LYS  22  10.889  -3.031  -3.031
  160    H    ARG  23           H        ARG  23   4.504  -4.695  -4.695
  161    HA   ARG  23           HA       ARG  23   5.175  -7.418  -7.418
  162   1HB   ARG  23          2HB       ARG  23   4.448  -5.688  -5.688
  163   2HB   ARG  23          1HB       ARG  23   2.795  -6.007  -6.007
  164   1HG   ARG  23          2HG       ARG  23   3.256  -7.448  -7.448
  165   2HG   ARG  23          1HG       ARG  23   3.205  -8.453  -8.453
  166   1HD   ARG  23          2HD       ARG  23   5.565  -8.640  -8.640
  167   2HD   ARG  23          1HD       ARG  23   5.795  -7.300  -7.300
  168    HE   ARG  23           HE       ARG  23   4.347  -9.462  -9.462
  169   1HH1  ARG  23          1HH1      ARG  23   7.550  -8.377  -8.377
  170   2HH1  ARG  23          2HH1      ARG  23   8.339  -9.325  -9.325
  171   1HH2  ARG  23          1HH2      ARG  23   5.416 -10.682 -10.682
  172   2HH2  ARG  23          2HH2      ARG  23   7.143 -10.620 -10.620
  173    H    ARG  24           H        ARG  24   2.468  -5.811  -5.811
  174    HA   ARG  24           HA       ARG  24   0.733  -8.067  -8.067
  175   1HB   ARG  24          2HB       ARG  24   0.123  -5.606  -5.606
  176   2HB   ARG  24          1HB       ARG  24   0.777  -5.812  -5.812
  177   1HG   ARG  24          2HG       ARG  24  -0.885  -7.314  -7.314
  178   2HG   ARG  24          1HG       ARG  24  -1.203  -7.815  -7.815
  179   1HD   ARG  24          2HD       ARG  24  -3.061  -6.455  -6.455
  180   2HD   ARG  24          1HD       ARG  24  -2.126  -5.515  -5.515
  181    HE   ARG  24           HE       ARG  24  -1.083  -4.805  -4.805
  182   1HH1  ARG  24          1HH1      ARG  24  -4.299  -4.842  -4.842
  183   2HH1  ARG  24          2HH1      ARG  24  -4.845  -3.502  -3.502
  184   1HH2  ARG  24          1HH2      ARG  24  -1.838  -3.061  -3.061
  185   2HH2  ARG  24          2HH2      ARG  24  -3.465  -2.500  -2.500
  186    H    GLU  25           H        GLU  25   3.244  -6.783  -6.783
  187    HA   GLU  25           HA       GLU  25   2.758  -8.467  -8.467
  188   1HB   GLU  25          2HB       GLU  25   5.133  -6.907  -6.907
  189   2HB   GLU  25          1HB       GLU  25   5.304  -8.024  -8.024
  190   1HG   GLU  25          2HG       GLU  25   3.209  -5.838  -5.838
  191   2HG   GLU  25          1HG       GLU  25   4.747  -5.681  -5.681
  192    H    GLN  26           H        GLN  26   4.846  -8.803  -8.803
  193    HA   GLN  26           HA       GLN  26   6.026 -11.273 -11.273
  194   1HB   GLN  26          2HB       GLN  26   6.654  -9.543  -9.543
  195   2HB   GLN  26          1HB       GLN  26   5.653 -10.622 -10.622
  196   1HG   GLN  26          2HG       GLN  26   7.656 -11.730 -11.730
  197   2HG   GLN  26          1HG       GLN  26   7.115 -12.473 -12.473
  198   1HE2  GLN  26          2HE2      GLN  26  10.043 -11.366 -11.366
  199   2HE2  GLN  26          1HE2      GLN  26   8.948 -12.631 -12.631
  200    H    LEU  27           H        LEU  27   3.311 -10.467 -10.467
  201    HA   LEU  27           HA       LEU  27   2.662 -13.123 -13.123
  202   1HB   LEU  27          2HB       LEU  27   0.921 -10.650 -10.650
  203   2HB   LEU  27          1HB       LEU  27   0.427 -12.174 -12.174
  204    HG   LEU  27           HG       LEU  27   2.996 -10.856 -10.856
  205   1HD1  LEU  27          1HD1      LEU  27   0.177 -10.119 -10.119
  206   2HD1  LEU  27          3HD1      LEU  27   1.505  -9.919  -9.919
  207   3HD1  LEU  27          2HD1      LEU  27   1.526  -9.055  -9.055
  208   1HD2  LEU  27          2HD2      LEU  27   1.131 -12.974 -12.974
  209   2HD2  LEU  27          1HD2      LEU  27   2.892 -12.903 -12.903
  210   3HD2  LEU  27          3HD2      LEU  27   1.919 -11.984 -11.984
  211    H    LYS  28           H        LYS  28   1.679 -11.066 -11.066
  212    HA   LYS  28           HA       LYS  28  -0.326 -12.842 -12.842
  213   1HB   LYS  28          2HB       LYS  28  -0.037 -10.331 -10.331
  214   2HB   LYS  28          1HB       LYS  28   1.185 -10.844 -10.844
  215   1HG   LYS  28          2HG       LYS  28  -0.355 -11.836 -11.836
  216   2HG   LYS  28          1HG       LYS  28  -1.436 -12.264 -12.264
  217   1HD   LYS  28          2HD       LYS  28  -0.999  -9.396  -9.396
  218   2HD   LYS  28          1HD       LYS  28  -2.248 -10.409 -10.409
  219   1HE   LYS  28          2HE       LYS  28  -2.016 -10.098 -10.098
  220   2HE   LYS  28          1HE       LYS  28  -2.940  -8.957  -8.957
  221   1HZ   LYS  28          3HZ       LYS  28  -3.386 -11.850 -11.850
  222   2HZ   LYS  28          2HZ       LYS  28  -4.111 -11.012 -11.012
  223   3HZ   LYS  28          1HZ       LYS  28  -4.446 -10.565 -10.565
  224    H    HIS  29           H        HIS  29   3.122 -12.420 -12.420
  225    HA   HIS  29           HA       HIS  29   3.411 -13.993 -13.993
  226   1HB   HIS  29          2HB       HIS  29   5.255 -13.229 -13.229
  227   2HB   HIS  29          1HB       HIS  29   5.776 -14.407 -14.407
  228    HD1  HIS  29           HD1      HIS  29   4.500 -13.220 -13.220
  229    HD2  HIS  29           HD2      HIS  29   6.524 -10.923 -10.923
  230    HE1  HIS  29           HE1      HIS  29   5.249 -11.112 -11.112
  231    H    LYS  30           H        LYS  30   3.085 -14.845 -14.845
  232    HA   LYS  30           HA       LYS  30   3.838 -17.610 -17.610
  233   1HB   LYS  30          2HB       LYS  30   2.787 -15.972 -15.972
  234   2HB   LYS  30          1HB       LYS  30   2.648 -17.730 -17.730
  235   1HG   LYS  30          2HG       LYS  30   5.037 -17.996 -17.996
  236   2HG   LYS  30          1HG       LYS  30   5.237 -16.268 -16.268
  237   1HD   LYS  30          2HD       LYS  30   4.616 -15.722 -15.722
  238   2HD   LYS  30          1HD       LYS  30   4.112 -17.380 -17.380
  239   1HE   LYS  30          2HE       LYS  30   6.926 -16.896 -16.896
  240   2HE   LYS  30          1HE       LYS  30   6.501 -16.527 -16.527
  241   1HZ   LYS  30          2HZ       LYS  30   5.895 -19.119 -19.119
  242   2HZ   LYS  30          1HZ       LYS  30   7.303 -18.838 -18.838
  243   3HZ   LYS  30          3HZ       LYS  30   5.783 -18.741 -18.741
  244    H    LEU  31           H        LEU  31   0.886 -15.723 -15.723
  245    HA   LEU  31           HA       LEU  31  -0.937 -17.899 -17.899
  246   1HB   LEU  31          2HB       LEU  31  -1.263 -15.247 -15.247
  247   2HB   LEU  31          1HB       LEU  31  -1.728 -15.469 -15.469
  248    HG   LEU  31           HG       LEU  31  -3.150 -17.471 -17.471
  249   1HD1  LEU  31          1HD1      LEU  31  -2.213 -17.176 -17.176
  250   2HD1  LEU  31          3HD1      LEU  31  -2.962 -15.580 -15.580
  251   3HD1  LEU  31          2HD1      LEU  31  -3.970 -17.024 -17.024
  252   1HD2  LEU  31          3HD2      LEU  31  -3.831 -15.161 -15.161
  253   2HD2  LEU  31          2HD2      LEU  31  -5.028 -16.073 -16.073
  254   3HD2  LEU  31          1HD2      LEU  31  -4.189 -14.715 -14.715
  255    H    GLU  32           H        GLU  32   0.258 -16.032 -16.032
  256    HA   GLU  32           HA       GLU  32  -1.138 -17.456 -17.456
  257   1HB   GLU  32          2HB       GLU  32   0.659 -16.609 -16.609
  258   2HB   GLU  32          1HB       GLU  32  -0.122 -15.358 -15.358
  259   1HG   GLU  32          2HG       GLU  32   1.750 -14.993 -14.993
  260   2HG   GLU  32          1HG       GLU  32   2.304 -16.659 -16.659
  261    H    GLN  33           H        GLN  33   1.796 -18.189 -18.189
  262    HA   GLN  33           HA       GLN  33   2.340 -20.481 -20.481
  263   1HB   GLN  33          2HB       GLN  33   3.955 -18.925 -18.925
  264   2HB   GLN  33          1HB       GLN  33   4.367 -20.621 -20.621
  265   1HG   GLN  33          2HG       GLN  33   4.605 -20.230 -20.230
  266   2HG   GLN  33          1HG       GLN  33   4.073 -18.559 -18.559
  267   1HE2  GLN  33          2HE2      GLN  33   7.459 -17.646 -17.646
  268   2HE2  GLN  33          1HE2      GLN  33   6.001 -17.436 -17.436
  269    H    LEU  34           H        LEU  34   0.036 -20.463 -20.463
  270    HA   LEU  34           HA       LEU  34  -1.070 -21.861 -21.861
  271   1HB   LEU  34          2HB       LEU  34   1.294 -23.581 -23.581
  272   2HB   LEU  34          1HB       LEU  34   0.060 -24.137 -24.137
  273    HG   LEU  34           HG       LEU  34  -1.625 -23.400 -23.400
  274   1HD1  LEU  34          3HD1      LEU  34   0.984 -23.618 -23.618
  275   2HD1  LEU  34          2HD1      LEU  34  -0.602 -23.702 -23.702
  276   3HD1  LEU  34          1HD1      LEU  34  -0.102 -22.231 -22.231
  277   1HD2  LEU  34          1HD2      LEU  34  -0.671 -25.791 -25.791
  278   2HD2  LEU  34          3HD2      LEU  34  -1.758 -25.617 -25.617
  279   3HD2  LEU  34          2HD2      LEU  34  -0.019 -25.756 -25.756
  280   1HN   NH2  35          1HT       LEU  34   2.193 -22.875 -22.875
  281   2HN   NH2  35          2HT       LEU  34   2.055 -22.197 -22.197
  282   1H    ACE   2          1HA       ACE   2  -2.630  25.934  25.934
  283   2H    ACE   2          2HA       ACE   2  -1.728  26.405  26.405
  284   3H    ACE   2          3HA       ACE   2  -1.099  26.795  26.795
  285    H    CYS   3           H        CYS   3   0.835  25.674  25.674
  286    HA   CYS   3           HA       CYS   3   2.296  23.904  23.904
  287   1HB   CYS   3          2HB       CYS   3   0.869  23.421  23.421
  288   2HB   CYS   3          1HB       CYS   3   0.160  22.136  22.136
  289    H    GLY   4           H        GLY   4  -0.874  22.350  22.350
  290   1HA   GLY   4          2HA       GLY   4  -0.899  21.971  21.971
  291   2HA   GLY   4          1HA       GLY   4   0.214  20.721  20.721
  292    H    GLY   5           H        GLY   5  -0.649  18.822  18.822
  293   1HA   GLY   5          2HA       GLY   5  -3.450  18.345  18.345
  294   2HA   GLY   5          1HA       GLY   5  -2.228  17.189  17.189
  295    H    MET   6           H        MET   6  -1.126  18.538  18.538
  296    HA   MET   6           HA       MET   6  -1.382  18.626  18.626
  297   1HB   MET   6          2HB       MET   6  -2.142  20.867  20.867
  298   2HB   MET   6          1HB       MET   6  -3.786  20.279  20.279
  299   1HG   MET   6          2HG       MET   6  -3.829  19.599  19.599
  300   2HG   MET   6          1HG       MET   6  -2.197  20.240  20.240
  301   1HE   MET   6          2HE       MET   6  -1.946  21.970  21.970
  302   2HE   MET   6          1HE       MET   6  -2.955  23.395  23.395
  303   3HE   MET   6          3HE       MET   6  -3.477  21.824  21.824
  304    H    ARG   7           H        ARG   7  -4.901  18.763  18.763
  305    HA   ARG   7           HA       ARG   7  -5.118  16.337  16.337
  306   1HB   ARG   7          2HB       ARG   7  -6.487  18.648  18.648
  307   2HB   ARG   7          1HB       ARG   7  -7.550  17.777  17.777
  308   1HG   ARG   7          2HG       ARG   7  -6.544  16.628  16.628
  309   2HG   ARG   7          1HG       ARG   7  -8.102  17.432  17.432
  310   1HD   ARG   7          2HD       ARG   7  -8.913  15.395  15.395
  311   2HD   ARG   7          1HD       ARG   7  -8.111  15.624  15.624
  312    HE   ARG   7           HE       ARG   7  -6.557  14.023  14.023
  313   1HH1  ARG   7          1HH1      ARG   7  -8.277  15.160  15.160
  314   2HH1  ARG   7          2HH1      ARG   7  -7.570  13.976  13.976
  315   1HH2  ARG   7          1HH2      ARG   7  -5.658  12.497  12.497
  316   2HH2  ARG   7          2HH2      ARG   7  -6.100  12.480  12.480
  317    H    ARG   8           H        ARG   8  -5.855  17.583  17.583
  318    HA   ARG   8           HA       ARG   8  -7.493  15.463  15.463
  319   1HB   ARG   8          2HB       ARG   8  -5.859  17.592  17.592
  320   2HB   ARG   8          1HB       ARG   8  -6.390  16.232  16.232
  321   1HG   ARG   8          2HG       ARG   8  -8.415  17.501  17.501
  322   2HG   ARG   8          1HG       ARG   8  -7.927  18.396  18.396
  323   1HD   ARG   8          2HD       ARG   8  -8.552  16.570  16.570
  324   2HD   ARG   8          1HD       ARG   8  -8.805  15.501  15.501
  325    HE   ARG   8           HE       ARG   8 -10.906  16.447  16.447
  326   1HH1  ARG   8          1HH1      ARG   8  -8.971  18.493  18.493
  327   2HH1  ARG   8          2HH1      ARG   8 -10.292  19.536  19.536
  328   1HH2  ARG   8          1HH2      ARG   8 -12.602  17.831  17.831
  329   2HH2  ARG   8          2HH2      ARG   8 -12.332  19.166  19.166
  330    H    LYS   9           H        LYS   9  -3.994  15.959  15.959
  331    HA   LYS   9           HA       LYS   9  -3.453  13.499  13.499
  332   1HB   LYS   9          2HB       LYS   9  -1.854  15.709  15.709
  333   2HB   LYS   9          1HB       LYS   9  -1.070  14.130  14.130
  334   1HG   LYS   9          2HG       LYS   9  -1.362  13.915  13.915
  335   2HG   LYS   9          1HG       LYS   9  -2.414  15.330  15.330
  336   1HD   LYS   9          2HD       LYS   9  -0.305  16.528  16.528
  337   2HD   LYS   9          1HD       LYS   9   0.561  15.191  15.191
  338   1HE   LYS   9          2HE       LYS   9  -1.475  16.597  16.597
  339   2HE   LYS   9          1HE       LYS   9   0.017  17.471  17.471
  340   1HZ   LYS   9          2HZ       LYS   9   0.050  14.680  14.680
  341   2HZ   LYS   9          1HZ       LYS   9  -0.032  15.989  15.989
  342   3HZ   LYS   9          3HZ       LYS   9   1.299  15.830  15.830
  343    H    ASN  10           H        ASN  10  -3.272  14.631  14.631
  344    HA   ASN  10           HA       ASN  10  -2.200  12.270  12.270
  345   1HB   ASN  10          2HB       ASN  10  -3.710  14.618  14.618
  346   2HB   ASN  10          1HB       ASN  10  -3.557  13.188  13.188
  347   1HD2  ASN  10          2HD2      ASN  10  -0.572  15.502  15.502
  348   2HD2  ASN  10          1HD2      ASN  10  -2.243  15.795  15.795
  349    H    ASP  11           H        ASP  11  -5.465  13.237  13.237
  350    HA   ASP  11           HA       ASP  11  -6.804  11.126  11.126
  351   1HB   ASP  11          2HB       ASP  11  -7.858  13.280  13.280
  352   2HB   ASP  11          1HB       ASP  11  -7.815  12.555  12.555
  353    H    THR  12           H        THR  12  -5.547  11.540  11.540
  354    HA   THR  12           HA       THR  12  -6.603   9.112   9.112
  355    HB   THR  12           HB       THR  12  -4.076  10.428  10.428
  356    HG1  THR  12           HG1      THR  12  -5.426  11.834  11.834
  357   1HG2  THR  12          2HG2      THR  12  -6.372   8.955   8.955
  358   2HG2  THR  12          1HG2      THR  12  -5.032   9.706   9.706
  359   3HG2  THR  12          3HG2      THR  12  -4.728   8.354   8.354
  360    H    HIS  13           H        HIS  13  -3.662   9.966   9.966
  361    HA   HIS  13           HA       HIS  13  -2.241   7.550   7.550
  362   1HB   HIS  13          2HB       HIS  13  -2.028   9.695   9.695
  363   2HB   HIS  13          1HB       HIS  13  -1.015   8.252   8.252
  364    HD1  HIS  13           HD1      HIS  13   0.170   7.766   7.766
  365    HD2  HIS  13           HD2      HIS  13  -0.849  11.688  11.688
  366    HE1  HIS  13           HE1      HIS  13   1.525   9.262   9.262
  367    H    GLN  14           H        GLN  14  -4.453   8.612   8.612
  368    HA   GLN  14           HA       GLN  14  -4.154   6.385   6.385
  369   1HB   GLN  14          2HB       GLN  14  -6.412   8.344   8.344
  370   2HB   GLN  14          1HB       GLN  14  -6.487   7.058   7.058
  371   1HG   GLN  14          2HG       GLN  14  -4.117   7.993   7.993
  372   2HG   GLN  14          1HG       GLN  14  -4.693   9.460   9.460
  373   1HE2  GLN  14          2HE2      GLN  14  -5.791   9.108   9.108
  374   2HE2  GLN  14          1HE2      GLN  14  -4.312   8.672   8.672
  375    H    GLN  15           H        GLN  15  -6.313   7.025   7.025
  376    HA   GLN  15           HA       GLN  15  -7.946   4.738   4.738
  377   1HB   GLN  15          2HB       GLN  15  -8.061   6.861   6.861
  378   2HB   GLN  15          1HB       GLN  15  -7.275   5.740   5.740
  379   1HG   GLN  15          2HG       GLN  15  -9.636   4.754   4.754
  380   2HG   GLN  15          1HG       GLN  15  -9.928   5.844   5.844
  381   1HE2  GLN  15          2HE2      GLN  15  -8.991   3.464   3.464
  382   2HE2  GLN  15          1HE2      GLN  15  -9.310   5.103   5.103
  383    H    ASP  16           H        ASP  16  -5.123   5.292   5.292
  384    HA   ASP  16           HA       ASP  16  -4.959   2.674   2.674
  385   1HB   ASP  16          2HB       ASP  16  -3.682   4.888   4.888
  386   2HB   ASP  16          1HB       ASP  16  -2.467   4.269   4.269
  387    H    ILE  17           H        ILE  17  -3.498   4.174   4.174
  388    HA   ILE  17           HA       ILE  17  -1.864   2.005   2.005
  389    HB   ILE  17           HB       ILE  17  -3.052   4.368   4.368
  390   1HG1  ILE  17          2HG1      ILE  17  -0.190   3.460   3.460
  391   2HG1  ILE  17          1HG1      ILE  17  -1.043   4.543   4.543
  392   1HG2  ILE  17          1HG2      ILE  17  -1.821   1.930   1.930
  393   2HG2  ILE  17          3HG2      ILE  17  -1.405   3.509   3.509
  394   3HG2  ILE  17          2HG2      ILE  17  -3.089   2.984   2.984
  395   1HD1  ILE  17          2HD1      ILE  17  -1.424   6.128   6.128
  396   2HD1  ILE  17          1HD1      ILE  17  -0.554   5.050   5.050
  397   3HD1  ILE  17          3HD1      ILE  17   0.297   5.831   5.831
  398    H    ASP  18           H        ASP  18  -4.728   3.055   3.055
  399    HA   ASP  18           HA       ASP  18  -5.203   0.817   0.817
  400   1HB   ASP  18          2HB       ASP  18  -6.884   3.039   3.039
  401   2HB   ASP  18          1HB       ASP  18  -7.778   1.598   1.598
  402    H    ASP  19           H        ASP  19  -5.941   1.272   1.272
  403    HA   ASP  19           HA       ASP  19  -7.675  -1.006  -1.006
  404   1HB   ASP  19          2HB       ASP  19  -7.654   0.930   0.930
  405   2HB   ASP  19          1HB       ASP  19  -6.093   0.359   0.359
  406    H    LEU  20           H        LEU  20  -4.235  -0.381  -0.381
  407    HA   LEU  20           HA       LEU  20  -3.569  -2.884  -2.884
  408   1HB   LEU  20          2HB       LEU  20  -1.975  -0.811  -0.811
  409   2HB   LEU  20          1HB       LEU  20  -1.243  -2.320  -2.320
  410    HG   LEU  20           HG       LEU  20  -2.806  -0.542  -0.542
  411   1HD1  LEU  20          2HD1      LEU  20  -0.627   0.414   0.414
  412   2HD1  LEU  20          1HD1      LEU  20   0.172  -0.499  -0.499
  413   3HD1  LEU  20          3HD1      LEU  20  -0.972   0.777   0.777
  414   1HD2  LEU  20          2HD2      LEU  20  -2.041  -3.069  -3.069
  415   2HD2  LEU  20          1HD2      LEU  20  -1.951  -1.896  -1.896
  416   3HD2  LEU  20          3HD2      LEU  20  -0.503  -2.300  -2.300
  417    H    LYS  21           H        LYS  21  -3.679  -1.724  -1.724
  418    HA   LYS  21           HA       LYS  21  -2.574  -4.014  -4.014
  419   1HB   LYS  21          2HB       LYS  21  -4.449  -1.866  -1.866
  420   2HB   LYS  21          1HB       LYS  21  -3.926  -3.194  -3.194
  421   1HG   LYS  21          2HG       LYS  21  -1.796  -1.771  -1.771
  422   2HG   LYS  21          1HG       LYS  21  -2.553  -0.884  -0.884
  423   1HD   LYS  21          2HD       LYS  21  -2.185  -3.170  -3.170
  424   2HD   LYS  21          1HD       LYS  21  -0.919  -3.390  -3.390
  425   1HE   LYS  21          2HE       LYS  21   0.343  -1.638  -1.638
  426   2HE   LYS  21          1HE       LYS  21  -1.068  -0.736  -0.736
  427   1HZ   LYS  21          3HZ       LYS  21  -1.330  -2.376  -2.376
  428   2HZ   LYS  21          2HZ       LYS  21   0.099  -3.144  -3.144
  429   3HZ   LYS  21          1HZ       LYS  21   0.152  -1.556  -1.556
  430    H    ARG  22           H        ARG  22  -5.925  -3.115  -3.115
  431    HA   ARG  22           HA       ARG  22  -7.179  -5.338  -5.338
  432   1HB   ARG  22          2HB       ARG  22  -7.954  -3.426  -3.426
  433   2HB   ARG  22          1HB       ARG  22  -8.965  -4.825  -4.825
  434   1HG   ARG  22          2HG       ARG  22  -8.040  -3.032  -3.032
  435   2HG   ARG  22          1HG       ARG  22  -9.451  -2.598  -2.598
  436   1HD   ARG  22          2HD       ARG  22  -9.244  -5.367  -5.367
  437   2HD   ARG  22          1HD       ARG  22  -9.746  -4.047  -4.047
  438    HE   ARG  22           HE       ARG  22 -11.329  -3.801  -3.801
  439   1HH1  ARG  22          1HH1      ARG  22 -10.678  -6.331  -6.331
  440   2HH1  ARG  22          2HH1      ARG  22 -12.252  -7.032  -7.032
  441   1HH2  ARG  22          1HH2      ARG  22 -13.371  -4.748  -4.748
  442   2HH2  ARG  22          2HH2      ARG  22 -13.764  -6.144  -6.144
  443    H    GLN  23           H        GLN  23  -5.616  -4.895  -4.895
  444    HA   GLN  23           HA       GLN  23  -6.583  -7.381  -7.381
  445   1HB   GLN  23          2HB       GLN  23  -4.724  -5.220  -5.220
  446   2HB   GLN  23          1HB       GLN  23  -4.529  -6.812  -6.812
  447   1HG   GLN  23          2HG       GLN  23  -7.273  -5.605  -5.605
  448   2HG   GLN  23          1HG       GLN  23  -6.190  -5.087  -5.087
  449   1HE2  GLN  23          2HE2      GLN  23  -6.069  -8.469  -8.469
  450   2HE2  GLN  23          1HE2      GLN  23  -4.986  -7.230  -7.230
  451    H    ASN  24           H        ASN  24  -3.405  -6.200  -6.200
  452    HA   ASN  24           HA       ASN  24  -2.070  -8.682  -8.682
  453   1HB   ASN  24          2HB       ASN  24  -1.520  -6.210  -6.210
  454   2HB   ASN  24          1HB       ASN  24  -0.474  -7.628  -7.628
  455   1HD2  ASN  24          2HD2      ASN  24   0.921  -5.444  -5.444
  456   2HD2  ASN  24          1HD2      ASN  24   0.729  -5.362  -5.362
  457    H    ALA  25           H        ALA  25  -3.892  -7.192  -7.192
  458    HA   ALA  25           HA       ALA  25  -3.207  -9.008  -9.008
  459   1HB   ALA  25          2HB       ALA  25  -5.739  -7.404  -7.404
  460   2HB   ALA  25          1HB       ALA  25  -5.344  -8.275  -8.275
  461   3HB   ALA  25          3HB       ALA  25  -4.334  -6.930  -6.930
  462    H    LEU  26           H        LEU  26  -6.103  -8.922  -8.922
  463    HA   LEU  26           HA       LEU  26  -7.123 -11.421 -11.421
  464   1HB   LEU  26          2HB       LEU  26  -8.210  -9.446  -9.446
  465   2HB   LEU  26          1HB       LEU  26  -7.708 -10.473 -10.473
  466    HG   LEU  26           HG       LEU  26  -9.309 -11.482 -11.482
  467   1HD1  LEU  26          3HD1      LEU  26 -10.358  -9.692  -9.692
  468   2HD1  LEU  26          2HD1      LEU  26 -10.462 -11.069 -11.069
  469   3HD1  LEU  26          1HD1      LEU  26 -11.282 -11.121 -11.121
  470   1HD2  LEU  26          3HD2      LEU  26  -8.217 -12.632 -12.632
  471   2HD2  LEU  26          2HD2      LEU  26  -8.416 -13.387 -13.387
  472   3HD2  LEU  26          1HD2      LEU  26  -9.810 -13.187 -13.187
  473    H    LEU  27           H        LEU  27  -5.006 -10.467 -10.467
  474    HA   LEU  27           HA       LEU  27  -4.934 -12.951 -12.951
  475   1HB   LEU  27          2HB       LEU  27  -3.178 -10.534 -10.534
  476   2HB   LEU  27          1HB       LEU  27  -2.534 -12.013 -12.013
  477    HG   LEU  27           HG       LEU  27  -5.227 -10.882 -10.882
  478   1HD1  LEU  27          3HD1      LEU  27  -3.308  -9.276  -9.276
  479   2HD1  LEU  27          2HD1      LEU  27  -2.614 -10.508 -10.508
  480   3HD1  LEU  27          1HD1      LEU  27  -4.180  -9.797  -9.797
  481   1HD2  LEU  27          2HD2      LEU  27  -4.230 -13.347 -13.347
  482   2HD2  LEU  27          1HD2      LEU  27  -5.247 -12.525 -12.525
  483   3HD2  LEU  27          3HD2      LEU  27  -3.494 -12.509 -12.509
  484    H    GLU  28           H        GLU  28  -2.613 -11.531 -11.531
  485    HA   GLU  28           HA       GLU  28  -0.933 -13.766 -13.766
  486   1HB   GLU  28          2HB       GLU  28  -0.403 -11.481 -11.481
  487   2HB   GLU  28          1HB       GLU  28  -1.566 -11.734 -11.734
  488   1HG   GLU  28          2HG       GLU  28  -0.196 -13.170 -13.170
  489   2HG   GLU  28          1HG       GLU  28   0.441 -13.888 -13.888
  490    H    GLN  29           H        GLN  29  -3.800 -12.825 -12.825
  491    HA   GLN  29           HA       GLN  29  -3.760 -14.825 -14.825
  492   1HB   GLN  29          2HB       GLN  29  -5.393 -12.790 -12.790
  493   2HB   GLN  29          1HB       GLN  29  -6.370 -13.997 -13.997
  494   1HG   GLN  29          2HG       GLN  29  -5.961 -15.458 -15.458
  495   2HG   GLN  29          1HG       GLN  29  -5.520 -13.937 -13.937
  496   1HE2  GLN  29          2HE2      GLN  29  -8.997 -13.697 -13.697
  497   2HE2  GLN  29          1HE2      GLN  29  -7.465 -14.031 -14.031
  498    H    GLN  30           H        GLN  30  -4.738 -14.947 -14.947
  499    HA   GLN  30           HA       GLN  30  -5.871 -17.623 -17.623
  500   1HB   GLN  30          2HB       GLN  30  -6.541 -15.646 -15.646
  501   2HB   GLN  30          1HB       GLN  30  -5.307 -16.413 -16.413
  502   1HG   GLN  30          2HG       GLN  30  -7.313 -17.522 -17.522
  503   2HG   GLN  30          1HG       GLN  30  -6.520 -18.630 -18.630
  504   1HE2  GLN  30          2HE2      GLN  30  -9.484 -18.682 -18.682
  505   2HE2  GLN  30          1HE2      GLN  30  -8.301 -19.571 -19.571
  506    H    VAL  31           H        VAL  31  -2.972 -16.030 -16.030
  507    HA   VAL  31           HA       VAL  31  -1.830 -18.318 -18.318
  508    HB   VAL  31           HB       VAL  31  -0.440 -15.865 -15.865
  509   1HG1  VAL  31          1HG1      VAL  31   0.373 -18.031 -18.031
  510   2HG1  VAL  31          3HG1      VAL  31   1.193 -16.472 -16.472
  511   3HG1  VAL  31          2HG1      VAL  31   1.198 -17.538 -17.538
  512   1HG2  VAL  31          3HG2      VAL  31  -2.394 -15.894 -15.894
  513   2HG2  VAL  31          2HG2      VAL  31  -1.099 -14.701 -14.701
  514   3HG2  VAL  31          1HG2      VAL  31  -0.936 -16.100 -16.100
  515    H    ARG  32           H        ARG  32  -1.783 -17.003 -17.003
  516    HA   ARG  32           HA       ARG  32   0.359 -18.550 -18.550
  517   1HB   ARG  32          2HB       ARG  32  -0.735 -16.531 -16.531
  518   2HB   ARG  32          1HB       ARG  32  -2.034 -17.620 -17.620
  519   1HG   ARG  32          2HG       ARG  32  -0.320 -19.091 -19.091
  520   2HG   ARG  32          1HG       ARG  32   0.901 -17.874 -17.874
  521   1HD   ARG  32          2HD       ARG  32  -0.530 -16.199 -16.199
  522   2HD   ARG  32          1HD       ARG  32  -1.525 -17.550 -17.550
  523    HE   ARG  32           HE       ARG  32   1.095 -16.845 -16.845
  524   1HH1  ARG  32          1HH1      ARG  32  -1.182 -19.463 -19.463
  525   2HH1  ARG  32          2HH1      ARG  32  -0.515 -20.423 -20.423
  526   1HH2  ARG  32          1HH2      ARG  32   1.932 -18.127 -18.127
  527   2HH2  ARG  32          2HH2      ARG  32   1.232 -19.674 -19.674
  528    H    ALA  33           H        ALA  33  -3.123 -19.113 -19.113
  529    HA   ALA  33           HA       ALA  33  -3.218 -21.504 -21.504
  530   1HB   ALA  33          2HB       ALA  33  -5.187 -20.081 -20.081
  531   2HB   ALA  33          1HB       ALA  33  -5.004 -20.897 -20.897
  532   3HB   ALA  33          3HB       ALA  33  -5.385 -21.831 -21.831
  533    H    LEU  34           H        LEU  34  -3.174 -21.041 -21.041
  534    HA   LEU  34           HA       LEU  34  -2.789 -23.798 -23.798
  535   1HB   LEU  34          2HB       LEU  34  -2.613 -21.245 -21.245
  536   2HB   LEU  34          1HB       LEU  34  -1.888 -22.692 -22.692
  537    HG   LEU  34           HG       LEU  34  -4.227 -22.413 -22.413
  538   1HD1  LEU  34          3HD1      LEU  34  -3.106 -24.701 -24.701
  539   2HD1  LEU  34          2HD1      LEU  34  -4.223 -24.729 -24.729
  540   3HD1  LEU  34          1HD1      LEU  34  -4.846 -24.656 -24.656
  541   1HD2  LEU  34          3HD2      LEU  34  -5.014 -21.237 -21.237
  542   2HD2  LEU  34          2HD2      LEU  34  -6.070 -22.563 -22.563
  543   3HD2  LEU  34          1HD2      LEU  34  -4.944 -22.776 -22.776
  544   1HN   NH2  35          1HT       LEU  34  -0.558 -21.266 -21.266
  545   2HN   NH2  35          2HT       LEU  34   0.861 -22.165 -22.165

  Start of MODEL   33
    1   1H    ACE   2          1HA       ACE   2  -0.898  24.408  24.408
    2   2H    ACE   2          2HA       ACE   2  -1.462  22.739  22.739
    3   3H    ACE   2          3HA       ACE   2  -2.616  24.067  24.067
    4    H    CYS   3           H        CYS   3  -2.023  21.832  21.832
    5    HA   CYS   3           HA       CYS   3  -1.876  21.479  21.479
    6   1HB   CYS   3          2HB       CYS   3  -3.450  23.548  23.548
    7   2HB   CYS   3          1HB       CYS   3  -2.042  24.447  24.447
    8    H    GLY   4           H        GLY   4   0.525  21.946  21.946
    9   1HA   GLY   4          2HA       GLY   4   2.299  22.993  22.993
   10   2HA   GLY   4          1HA       GLY   4   2.633  23.217  23.217
   11    H    GLY   5           H        GLY   5   4.253  21.897  21.897
   12   1HA   GLY   5          2HA       GLY   5   5.772  20.138  20.138
   13   2HA   GLY   5          1HA       GLY   5   4.925  19.518  19.518
   14    H    VAL   6           H        VAL   6   3.761  20.226  20.226
   15    HA   VAL   6           HA       VAL   6   2.273  17.769  17.769
   16    HB   VAL   6           HB       VAL   6   2.912  19.660  19.660
   17   1HG1  VAL   6          1HG1      VAL   6   0.652  17.690  17.690
   18   2HG1  VAL   6          3HG1      VAL   6   0.813  18.750  18.750
   19   3HG1  VAL   6          2HG1      VAL   6   1.992  17.467  17.467
   20   1HG2  VAL   6          2HG2      VAL   6   0.957  19.804  19.804
   21   2HG2  VAL   6          1HG2      VAL   6   1.855  21.103  21.103
   22   3HG2  VAL   6          3HG2      VAL   6   0.453  20.394  20.394
   23    H    GLN   7           H        GLN   7   5.355  18.922  18.922
   24    HA   GLN   7           HA       GLN   7   5.869  16.843  16.843
   25   1HB   GLN   7          2HB       GLN   7   7.145  19.090  19.090
   26   2HB   GLN   7          1HB       GLN   7   8.071  18.133  18.133
   27   1HG   GLN   7          2HG       GLN   7   9.324  17.760  17.760
   28   2HG   GLN   7          1HG       GLN   7   8.180  16.424  16.424
   29   1HE2  GLN   7          2HE2      GLN   7   8.257  19.152  19.152
   30   2HE2  GLN   7          1HE2      GLN   7   9.481  18.984  18.984
   31    H    ALA   8           H        ALA   8   6.306  17.121  17.121
   32    HA   ALA   8           HA       ALA   8   7.868  14.722  14.722
   33   1HB   ALA   8          1HB       ALA   8   7.868  16.619  16.619
   34   2HB   ALA   8          3HB       ALA   8   6.249  16.114  16.114
   35   3HB   ALA   8          2HB       ALA   8   7.618  15.026  15.026
   36    H    GLU   9           H        GLU   9   4.457  15.561  15.561
   37    HA   GLU   9           HA       GLU   9   3.580  13.044  13.044
   38   1HB   GLU   9          2HB       GLU   9   2.249  15.420  15.420
   39   2HB   GLU   9          1HB       GLU   9   1.348  13.909  13.909
   40   1HG   GLU   9          2HG       GLU   9   2.833  14.850  14.850
   41   2HG   GLU   9          1HG       GLU   9   1.330  15.669  15.669
   42    H    GLU  10           H        GLU  10   3.783  14.454  14.454
   43    HA   GLU  10           HA       GLU  10   2.614  12.267  12.267
   44   1HB   GLU  10          2HB       GLU  10   4.270  14.626  14.626
   45   2HB   GLU  10          1HB       GLU  10   4.151  13.294  13.294
   46   1HG   GLU  10          2HG       GLU  10   1.611  13.409  13.409
   47   2HG   GLU  10          1HG       GLU  10   1.916  14.966  14.966
   48    H    GLN  11           H        GLN  11   5.930  13.046  13.046
   49    HA   GLN  11           HA       GLN  11   7.240  11.018  11.018
   50   1HB   GLN  11          2HB       GLN  11   8.286  12.993  12.993
   51   2HB   GLN  11          1HB       GLN  11   8.144  11.990  11.990
   52   1HG   GLN  11          2HG       GLN  11   9.610  10.345  10.345
   53   2HG   GLN  11          1HG       GLN  11   9.448  10.937  10.937
   54   1HE2  GLN  11          2HE2      GLN  11  11.864  13.024  13.024
   55   2HE2  GLN  11          1HE2      GLN  11  10.589  12.096  12.096
   56    H    LYS  12           H        LYS  12   5.585  11.020  11.020
   57    HA   LYS  12           HA       LYS  12   6.472   8.359   8.359
   58   1HB   LYS  12          2HB       LYS  12   5.640  10.374  10.374
   59   2HB   LYS  12          1HB       LYS  12   4.075   9.603   9.603
   60   1HG   LYS  12          2HG       LYS  12   5.220   7.407   7.407
   61   2HG   LYS  12          1HG       LYS  12   6.558   8.403   8.403
   62   1HD   LYS  12          2HD       LYS  12   4.623   9.725   9.725
   63   2HD   LYS  12          1HD       LYS  12   3.761   8.195   8.195
   64   1HE   LYS  12          2HE       LYS  12   5.406   7.005   7.005
   65   2HE   LYS  12          1HE       LYS  12   6.561   8.332   8.332
   66   1HZ   LYS  12          1HZ       LYS  12   4.745   9.648   9.648
   67   2HZ   LYS  12          3HZ       LYS  12   4.132   8.124   8.124
   68   3HZ   LYS  12          2HZ       LYS  12   5.708   8.564   8.564
   69    H    LEU  13           H        LEU  13   3.695   9.842   9.842
   70    HA   LEU  13           HA       LEU  13   2.041   7.489   7.489
   71   1HB   LEU  13          2HB       LEU  13   1.887  10.126  10.126
   72   2HB   LEU  13          1HB       LEU  13   0.784   8.812   8.812
   73    HG   LEU  13           HG       LEU  13   1.144   9.465   9.465
   74   1HD1  LEU  13          3HD1      LEU  13  -0.507  11.122  11.122
   75   2HD1  LEU  13          2HD1      LEU  13  -0.597  11.232  11.232
   76   3HD1  LEU  13          1HD1      LEU  13   0.889  11.684  11.684
   77   1HD2  LEU  13          3HD2      LEU  13  -0.301   7.598   7.598
   78   2HD2  LEU  13          2HD2      LEU  13  -1.131   8.709   8.709
   79   3HD2  LEU  13          1HD2      LEU  13  -1.343   8.861   8.861
   80    H    ILE  14           H        ILE  14   3.986   9.100   9.100
   81    HA   ILE  14           HA       ILE  14   3.448   7.261   7.261
   82    HB   ILE  14           HB       ILE  14   5.946   8.928   8.928
   83   1HG1  ILE  14          2HG1      ILE  14   3.685   9.717   9.717
   84   2HG1  ILE  14          1HG1      ILE  14   3.494   9.974   9.974
   85   1HG2  ILE  14          3HG2      ILE  14   4.768   7.422   7.422
   86   2HG2  ILE  14          2HG2      ILE  14   5.796   8.831   8.831
   87   3HG2  ILE  14          1HG2      ILE  14   6.431   7.425   7.425
   88   1HD1  ILE  14          3HD1      ILE  14   5.683  11.189  11.189
   89   2HD1  ILE  14          2HD1      ILE  14   5.739  11.027  11.027
   90   3HD1  ILE  14          1HD1      ILE  14   4.462  11.978  11.978
   91    H    SER  15           H        SER  15   6.268   7.514   7.514
   92    HA   SER  15           HA       SER  15   7.598   5.212   5.212
   93   1HB   SER  15          2HB       SER  15   8.830   5.302   5.302
   94   2HB   SER  15          1HB       SER  15   8.622   6.930   6.930
   95    HG   SER  15           HG       SER  15   7.171   5.643   5.643
   96    H    GLU  16           H        GLU  16   4.951   5.628   5.628
   97    HA   GLU  16           HA       GLU  16   5.077   2.991   2.991
   98   1HB   GLU  16          2HB       GLU  16   3.132   5.254   5.254
   99   2HB   GLU  16          1HB       GLU  16   2.545   3.646   3.646
  100   1HG   GLU  16          2HG       GLU  16   4.292   3.421   3.421
  101   2HG   GLU  16          1HG       GLU  16   4.967   4.985   4.985
  102    H    GLU  17           H        GLU  17   3.094   4.533   4.533
  103    HA   GLU  17           HA       GLU  17   1.541   2.253   2.253
  104   1HB   GLU  17          2HB       GLU  17   1.013   4.616   4.616
  105   2HB   GLU  17          1HB       GLU  17   2.298   4.492   4.492
  106   1HG   GLU  17          2HG       GLU  17   1.085   2.348   2.348
  107   2HG   GLU  17          1HG       GLU  17  -0.286   2.943   2.943
  108    H    ASP  18           H        ASP  18   4.651   3.436   3.436
  109    HA   ASP  18           HA       ASP  18   4.962   1.698   1.698
  110   1HB   ASP  18          2HB       ASP  18   6.402   3.733   3.733
  111   2HB   ASP  18          1HB       ASP  18   7.263   2.598   2.598
  112    H    LEU  19           H        LEU  19   5.620   1.317   1.317
  113    HA   LEU  19           HA       LEU  19   7.050  -1.133  -1.133
  114   1HB   LEU  19          2HB       LEU  19   6.704   0.546   0.546
  115   2HB   LEU  19          1HB       LEU  19   5.352  -0.527  -0.527
  116    HG   LEU  19           HG       LEU  19   7.177  -2.411  -2.411
  117   1HD1  LEU  19          1HD1      LEU  19   8.707   0.123   0.123
  118   2HD1  LEU  19          3HD1      LEU  19   9.299  -1.308  -1.308
  119   3HD1  LEU  19          2HD1      LEU  19   9.136  -1.324  -1.324
  120   1HD2  LEU  19          1HD2      LEU  19   6.572  -0.748  -0.748
  121   2HD2  LEU  19          3HD2      LEU  19   6.198  -2.443  -2.443
  122   3HD2  LEU  19          2HD2      LEU  19   7.841  -1.968  -1.968
  123    H    LEU  20           H        LEU  20   3.644  -0.312  -0.312
  124    HA   LEU  20           HA       LEU  20   2.733  -3.001  -3.001
  125   1HB   LEU  20          2HB       LEU  20   1.454  -0.383  -0.383
  126   2HB   LEU  20          1HB       LEU  20   0.540  -1.852  -1.852
  127    HG   LEU  20           HG       LEU  20   1.907  -1.642  -1.642
  128   1HD1  LEU  20          3HD1      LEU  20   0.539   0.533   0.533
  129   2HD1  LEU  20          2HD1      LEU  20  -0.843  -0.492  -0.492
  130   3HD1  LEU  20          1HD1      LEU  20   0.384  -0.166  -0.166
  131   1HD2  LEU  20          2HD2      LEU  20   0.504  -3.608  -3.608
  132   2HD2  LEU  20          1HD2      LEU  20   0.213  -3.126  -3.126
  133   3HD2  LEU  20          3HD2      LEU  20  -0.886  -2.598  -2.598
  134    H    ARG  21           H        ARG  21   3.276  -0.956  -0.956
  135    HA   ARG  21           HA       ARG  21   1.995  -2.567  -2.567
  136   1HB   ARG  21          2HB       ARG  21   4.343  -0.675  -0.675
  137   2HB   ARG  21          1HB       ARG  21   3.520  -1.417  -1.417
  138   1HG   ARG  21          2HG       ARG  21   1.464  -0.313  -0.313
  139   2HG   ARG  21          1HG       ARG  21   2.046   0.183   0.183
  140   1HD   ARG  21          2HD       ARG  21   2.253   2.129   2.129
  141   2HD   ARG  21          1HD       ARG  21   3.883   1.466   1.466
  142    HE   ARG  21           HE       ARG  21   3.752   1.059   1.059
  143   1HH1  ARG  21          1HH1      ARG  21   0.545   1.654   1.654
  144   2HH1  ARG  21          2HH1      ARG  21  -0.191   1.697   1.697
  145   1HH2  ARG  21          1HH2      ARG  21   2.754   1.124   1.124
  146   2HH2  ARG  21          2HH2      ARG  21   1.048   1.399   1.399
  147    H    LYS  22           H        LYS  22   5.305  -2.553  -2.553
  148    HA   LYS  22           HA       LYS  22   6.339  -4.526  -4.526
  149   1HB   LYS  22          2HB       LYS  22   7.499  -2.890  -2.890
  150   2HB   LYS  22          1HB       LYS  22   7.415  -4.347  -4.347
  151   1HG   LYS  22          2HG       LYS  22   8.400  -4.600  -4.600
  152   2HG   LYS  22          1HG       LYS  22   9.487  -3.924  -3.924
  153   1HD   LYS  22          2HD       LYS  22   9.430  -5.889  -5.889
  154   2HD   LYS  22          1HD       LYS  22   7.991  -6.496  -6.496
  155   1HE   LYS  22          2HE       LYS  22   9.507  -6.434  -6.434
  156   2HE   LYS  22          1HE       LYS  22  10.832  -6.435  -6.435
  157   1HZ   LYS  22          1HZ       LYS  22   9.814  -8.419  -8.419
  158   2HZ   LYS  22          3HZ       LYS  22   8.661  -8.447  -8.447
  159   3HZ   LYS  22          2HZ       LYS  22  10.305  -8.678  -8.678
  160    H    ARG  23           H        ARG  23   4.901  -4.704  -4.704
  161    HA   ARG  23           HA       ARG  23   5.281  -7.469  -7.469
  162   1HB   ARG  23          2HB       ARG  23   4.586  -5.785  -5.785
  163   2HB   ARG  23          1HB       ARG  23   2.968  -5.827  -5.827
  164   1HG   ARG  23          2HG       ARG  23   2.829  -7.435  -7.435
  165   2HG   ARG  23          1HG       ARG  23   3.173  -8.411  -8.411
  166   1HD   ARG  23          2HD       ARG  23   5.526  -8.512  -8.512
  167   2HD   ARG  23          1HD       ARG  23   5.300  -7.379  -7.379
  168    HE   ARG  23           HE       ARG  23   3.676  -9.749  -9.749
  169   1HH1  ARG  23          1HH1      ARG  23   6.841  -8.372  -8.372
  170   2HH1  ARG  23          2HH1      ARG  23   7.210  -9.471  -9.471
  171   1HH2  ARG  23          1HH2      ARG  23   4.197 -11.163 -11.163
  172   2HH2  ARG  23          2HH2      ARG  23   5.726 -11.037 -11.037
  173    H    ARG  24           H        ARG  24   2.652  -5.639  -5.639
  174    HA   ARG  24           HA       ARG  24   0.867  -7.796  -7.796
  175   1HB   ARG  24          2HB       ARG  24   0.310  -5.350  -5.350
  176   2HB   ARG  24          1HB       ARG  24   1.157  -5.390  -5.390
  177   1HG   ARG  24          2HG       ARG  24  -0.474  -6.641  -6.641
  178   2HG   ARG  24          1HG       ARG  24  -0.866  -7.522  -7.522
  179   1HD   ARG  24          2HD       ARG  24  -2.174  -5.734  -5.734
  180   2HD   ARG  24          1HD       ARG  24  -1.520  -4.594  -4.594
  181    HE   ARG  24           HE       ARG  24  -3.705  -6.433  -6.433
  182   1HH1  ARG  24          1HH1      ARG  24  -1.137  -4.625  -4.625
  183   2HH1  ARG  24          2HH1      ARG  24  -1.933  -4.592  -4.592
  184   1HH2  ARG  24          1HH2      ARG  24  -4.708  -6.365  -6.365
  185   2HH2  ARG  24          2HH2      ARG  24  -3.938  -5.568  -5.568
  186    H    GLU  25           H        GLU  25   3.617  -6.629  -6.629
  187    HA   GLU  25           HA       GLU  25   3.149  -8.106  -8.106
  188   1HB   GLU  25          2HB       GLU  25   5.530  -6.780  -6.780
  189   2HB   GLU  25          1HB       GLU  25   5.780  -7.892  -7.892
  190   1HG   GLU  25          2HG       GLU  25   4.333  -6.610  -6.610
  191   2HG   GLU  25          1HG       GLU  25   3.792  -5.610  -5.610
  192    H    GLN  26           H        GLN  26   5.110  -8.790  -8.790
  193    HA   GLN  26           HA       GLN  26   5.984 -11.357 -11.357
  194   1HB   GLN  26          2HB       GLN  26   6.978  -9.846  -9.846
  195   2HB   GLN  26          1HB       GLN  26   5.761 -10.599 -10.599
  196   1HG   GLN  26          2HG       GLN  26   6.643 -12.846 -12.846
  197   2HG   GLN  26          1HG       GLN  26   8.037 -11.920 -11.920
  198   1HE2  GLN  26          2HE2      GLN  26   9.405 -11.525 -11.525
  199   2HE2  GLN  26          1HE2      GLN  26   9.516 -11.099 -11.099
  200    H    LEU  27           H        LEU  27   3.247 -10.192 -10.192
  201    HA   LEU  27           HA       LEU  27   2.333 -12.676 -12.676
  202   1HB   LEU  27          2HB       LEU  27   1.033 -10.023 -10.023
  203   2HB   LEU  27          1HB       LEU  27   0.038 -11.414 -11.414
  204    HG   LEU  27           HG       LEU  27   2.451 -10.565 -10.565
  205   1HD1  LEU  27          2HD1      LEU  27   0.645  -8.794  -8.794
  206   2HD1  LEU  27          1HD1      LEU  27  -0.458  -9.970  -9.970
  207   3HD1  LEU  27          3HD1      LEU  27   0.953  -9.427  -9.427
  208   1HD2  LEU  27          1HD2      LEU  27   0.155 -12.496 -12.496
  209   2HD2  LEU  27          3HD2      LEU  27   1.887 -12.821 -12.821
  210   3HD2  LEU  27          2HD2      LEU  27   1.085 -11.896 -11.896
  211    H    LYS  28           H        LYS  28   1.543 -10.879 -10.879
  212    HA   LYS  28           HA       LYS  28  -0.376 -12.696 -12.696
  213   1HB   LYS  28          2HB       LYS  28   0.021 -10.355 -10.355
  214   2HB   LYS  28          1HB       LYS  28   1.468 -10.960 -10.960
  215   1HG   LYS  28          2HG       LYS  28   0.270 -12.188 -12.188
  216   2HG   LYS  28          1HG       LYS  28  -1.084 -12.446 -12.446
  217   1HD   LYS  28          2HD       LYS  28  -1.299  -9.795  -9.795
  218   2HD   LYS  28          1HD       LYS  28  -0.506 -10.122 -10.122
  219   1HE   LYS  28          2HE       LYS  28  -2.319 -12.037 -12.037
  220   2HE   LYS  28          1HE       LYS  28  -3.193 -11.023 -11.023
  221   1HZ   LYS  28          1HZ       LYS  28  -2.741  -9.140  -9.140
  222   2HZ   LYS  28          3HZ       LYS  28  -2.251 -10.308 -10.308
  223   3HZ   LYS  28          2HZ       LYS  28  -3.845 -10.314 -10.314
  224    H    HIS  29           H        HIS  29   3.131 -12.560 -12.560
  225    HA   HIS  29           HA       HIS  29   3.488 -14.510 -14.510
  226   1HB   HIS  29          2HB       HIS  29   5.276 -13.704 -13.704
  227   2HB   HIS  29          1HB       HIS  29   5.772 -14.785 -14.785
  228    HD1  HIS  29           HD1      HIS  29   4.312 -13.262 -13.262
  229    HD2  HIS  29           HD2      HIS  29   6.777 -11.464 -11.464
  230    HE1  HIS  29           HE1      HIS  29   5.143 -11.105 -11.105
  231    H    LYS  30           H        LYS  30   2.980 -14.735 -14.735
  232    HA   LYS  30           HA       LYS  30   3.647 -17.480 -17.480
  233   1HB   LYS  30          2HB       LYS  30   2.155 -15.460 -15.460
  234   2HB   LYS  30          1HB       LYS  30   1.904 -17.163 -17.163
  235   1HG   LYS  30          2HG       LYS  30   4.720 -16.291 -16.291
  236   2HG   LYS  30          1HG       LYS  30   3.922 -15.729 -15.729
  237   1HD   LYS  30          2HD       LYS  30   3.769 -17.837 -17.837
  238   2HD   LYS  30          1HD       LYS  30   3.558 -18.599 -18.599
  239   1HE   LYS  30          2HE       LYS  30   5.992 -18.078 -18.078
  240   2HE   LYS  30          1HE       LYS  30   6.140 -17.598 -17.598
  241   1HZ   LYS  30          1HZ       LYS  30   5.229 -19.843 -19.843
  242   2HZ   LYS  30          3HZ       LYS  30   5.418 -20.268 -20.268
  243   3HZ   LYS  30          2HZ       LYS  30   6.777 -19.852 -19.852
  244    H    LEU  31           H        LEU  31   0.452 -15.895 -15.895
  245    HA   LEU  31           HA       LEU  31  -1.034 -18.287 -18.287
  246   1HB   LEU  31          2HB       LEU  31  -1.580 -15.395 -15.395
  247   2HB   LEU  31          1HB       LEU  31  -2.705 -16.578 -16.578
  248    HG   LEU  31           HG       LEU  31  -3.414 -15.819 -15.819
  249   1HD1  LEU  31          3HD1      LEU  31  -3.567 -18.296 -18.296
  250   2HD1  LEU  31          2HD1      LEU  31  -2.462 -18.628 -18.628
  251   3HD1  LEU  31          1HD1      LEU  31  -4.046 -17.921 -17.921
  252   1HD2  LEU  31          3HD2      LEU  31  -0.761 -17.005 -17.005
  253   2HD2  LEU  31          2HD2      LEU  31  -1.218 -15.303 -15.303
  254   3HD2  LEU  31          1HD2      LEU  31  -2.039 -16.484 -16.484
  255    H    GLU  32           H        GLU  32   0.506 -16.215 -16.215
  256    HA   GLU  32           HA       GLU  32  -0.702 -17.340 -17.340
  257   1HB   GLU  32          2HB       GLU  32   0.561 -15.163 -15.163
  258   2HB   GLU  32          1HB       GLU  32   2.051 -16.101 -16.101
  259   1HG   GLU  32          2HG       GLU  32   1.751 -15.616 -15.616
  260   2HG   GLU  32          1HG       GLU  32   1.294 -17.308 -17.308
  261    H    GLN  33           H        GLN  33   2.266 -18.076 -18.076
  262    HA   GLN  33           HA       GLN  33   3.091 -20.154 -20.154
  263   1HB   GLN  33          2HB       GLN  33   4.048 -19.089 -19.089
  264   2HB   GLN  33          1HB       GLN  33   4.546 -20.717 -20.717
  265   1HG   GLN  33          2HG       GLN  33   4.758 -18.520 -18.520
  266   2HG   GLN  33          1HG       GLN  33   5.972 -18.614 -18.614
  267   1HE2  GLN  33          2HE2      GLN  33   6.793 -20.830 -20.830
  268   2HE2  GLN  33          1HE2      GLN  33   6.185 -19.245 -19.245
  269    H    LEU  34           H        LEU  34   2.353 -20.389 -20.389
  270    HA   LEU  34           HA       LEU  34   0.890 -22.899 -22.899
  271   1HB   LEU  34          2HB       LEU  34   3.046 -22.331 -22.331
  272   2HB   LEU  34          1HB       LEU  34   1.742 -23.416 -23.416
  273    HG   LEU  34           HG       LEU  34   2.227 -24.461 -24.461
  274   1HD1  LEU  34          3HD1      LEU  34   4.798 -23.101 -23.101
  275   2HD1  LEU  34          2HD1      LEU  34   4.763 -24.467 -24.467
  276   3HD1  LEU  34          1HD1      LEU  34   3.954 -22.960 -22.960
  277   1HD2  LEU  34          3HD2      LEU  34   2.377 -25.537 -25.537
  278   2HD2  LEU  34          2HD2      LEU  34   3.526 -26.159 -26.159
  279   3HD2  LEU  34          1HD2      LEU  34   4.063 -25.021 -25.021
  280   1HN   NH2  35          1HT       LEU  34  -1.088 -23.135 -23.135
  281   2HN   NH2  35          2HT       LEU  34  -1.703 -21.970 -21.970
  282   1H    ACE   2          1HA       ACE   2  -7.774  23.986  23.986
  283   2H    ACE   2          2HA       ACE   2  -6.726  22.570  22.570
  284   3H    ACE   2          3HA       ACE   2  -7.552  22.989  22.989
  285    H    CYS   3           H        CYS   3  -5.214  22.787  22.787
  286    HA   CYS   3           HA       CYS   3  -4.055  25.479  25.479
  287   1HB   CYS   3          2HB       CYS   3  -2.481  23.008  23.008
  288   2HB   CYS   3          1HB       CYS   3  -1.775  24.580  24.580
  289    H    GLY   4           H        GLY   4  -5.526  23.838  23.838
  290   1HA   GLY   4          2HA       GLY   4  -5.142  24.052  24.052
  291   2HA   GLY   4          1HA       GLY   4  -3.457  23.628  23.628
  292    H    GLY   5           H        GLY   5  -2.916  21.614  21.614
  293   1HA   GLY   5          2HA       GLY   5  -5.045  19.570  19.570
  294   2HA   GLY   5          1HA       GLY   5  -3.528  19.527  19.527
  295    H    MET   6           H        MET   6  -4.029  20.234  20.234
  296    HA   MET   6           HA       MET   6  -1.965  18.366  18.366
  297   1HB   MET   6          2HB       MET   6  -2.563  20.597  20.597
  298   2HB   MET   6          1HB       MET   6  -3.874  19.691  19.691
  299   1HG   MET   6          2HG       MET   6  -1.123  18.512  18.512
  300   2HG   MET   6          1HG       MET   6  -1.480  19.844  19.844
  301   1HE   MET   6          3HE       MET   6  -0.991  18.812  18.812
  302   2HE   MET   6          2HE       MET   6  -2.562  19.157  19.157
  303   3HE   MET   6          1HE       MET   6  -1.863  17.547  17.547
  304    H    ARG   7           H        ARG   7  -5.391  18.665  18.665
  305    HA   ARG   7           HA       ARG   7  -5.544  16.049  16.049
  306   1HB   ARG   7          2HB       ARG   7  -7.504  18.181  18.181
  307   2HB   ARG   7          1HB       ARG   7  -8.118  16.543  16.543
  308   1HG   ARG   7          2HG       ARG   7  -6.285  17.854  17.854
  309   2HG   ARG   7          1HG       ARG   7  -8.040  18.028  18.028
  310   1HD   ARG   7          2HD       ARG   7  -6.890  15.282  15.282
  311   2HD   ARG   7          1HD       ARG   7  -6.810  16.058  16.058
  312    HE   ARG   7           HE       ARG   7  -9.162  15.000  15.000
  313   1HH1  ARG   7          1HH1      ARG   7  -7.993  17.459  17.459
  314   2HH1  ARG   7          2HH1      ARG   7  -9.506  17.598  17.598
  315   1HH2  ARG   7          1HH2      ARG   7 -11.117  15.214  15.214
  316   2HH2  ARG   7          2HH2      ARG   7 -11.260  16.338  16.338
  317    H    ARG   8           H        ARG   8  -6.107  17.371  17.371
  318    HA   ARG   8           HA       ARG   8  -7.501  15.196  15.196
  319   1HB   ARG   8          2HB       ARG   8  -6.875  17.612  17.612
  320   2HB   ARG   8          1HB       ARG   8  -5.554  16.707  16.707
  321   1HG   ARG   8          2HG       ARG   8  -6.967  15.463  15.463
  322   2HG   ARG   8          1HG       ARG   8  -8.302  15.551  15.551
  323   1HD   ARG   8          2HD       ARG   8  -8.797  16.909  16.909
  324   2HD   ARG   8          1HD       ARG   8  -8.626  17.934  17.934
  325    HE   ARG   8           HE       ARG   8  -6.750  18.892  18.892
  326   1HH1  ARG   8          1HH1      ARG   8  -7.551  15.914  15.914
  327   2HH1  ARG   8          2HH1      ARG   8  -6.396  16.174  16.174
  328   1HH2  ARG   8          1HH2      ARG   8  -5.258  19.190  19.190
  329   2HH2  ARG   8          2HH2      ARG   8  -5.107  18.011  18.011
  330    H    LYS   9           H        LYS   9  -4.036  15.913  15.913
  331    HA   LYS   9           HA       LYS   9  -3.235  13.533  13.533
  332   1HB   LYS   9          2HB       LYS   9  -1.804  15.663  15.663
  333   2HB   LYS   9          1HB       LYS   9  -0.964  14.170  14.170
  334   1HG   LYS   9          2HG       LYS   9  -2.505  15.503  15.503
  335   2HG   LYS   9          1HG       LYS   9  -1.021  16.297  16.297
  336   1HD   LYS   9          2HD       LYS   9  -0.044  13.833  13.833
  337   2HD   LYS   9          1HD       LYS   9  -1.380  13.628  13.628
  338   1HE   LYS   9          2HE       LYS   9  -0.495  15.109  15.109
  339   2HE   LYS   9          1HE       LYS   9   0.290  16.083  16.083
  340   1HZ   LYS   9          2HZ       LYS   9   1.167  13.340  13.340
  341   2HZ   LYS   9          1HZ       LYS   9   1.816  14.732  14.732
  342   3HZ   LYS   9          3HZ       LYS   9   1.993  14.485  14.485
  343    H    ASN  10           H        ASN  10  -3.448  14.531  14.531
  344    HA   ASN  10           HA       ASN  10  -2.306  12.183  12.183
  345   1HB   ASN  10          2HB       ASN  10  -4.067  14.367  14.367
  346   2HB   ASN  10          1HB       ASN  10  -3.737  12.938  12.938
  347   1HD2  ASN  10          2HD2      ASN  10  -0.827  15.716  15.716
  348   2HD2  ASN  10          1HD2      ASN  10  -2.342  15.878  15.878
  349    H    ASP  11           H        ASP  11  -5.595  13.087  13.087
  350    HA   ASP  11           HA       ASP  11  -6.940  10.904  10.904
  351   1HB   ASP  11          2HB       ASP  11  -8.034  12.970  12.970
  352   2HB   ASP  11          1HB       ASP  11  -7.741  12.321  12.321
  353    H    THR  12           H        THR  12  -5.617  11.363  11.363
  354    HA   THR  12           HA       THR  12  -6.407   8.864   8.864
  355    HB   THR  12           HB       THR  12  -4.595   9.240   9.240
  356    HG1  THR  12           HG1      THR  12  -3.359  11.103  11.103
  357   1HG2  THR  12          3HG2      THR  12  -6.423  11.540  11.540
  358   2HG2  THR  12          2HG2      THR  12  -5.490  11.487  11.487
  359   3HG2  THR  12          1HG2      THR  12  -6.715  10.258  10.258
  360    H    HIS  13           H        HIS  13  -3.659   9.862   9.862
  361    HA   HIS  13           HA       HIS  13  -2.119   7.481   7.481
  362   1HB   HIS  13          2HB       HIS  13  -2.080   9.708   9.708
  363   2HB   HIS  13          1HB       HIS  13  -1.033   8.297   8.297
  364    HD1  HIS  13           HD1      HIS  13   0.173   7.742   7.742
  365    HD2  HIS  13           HD2      HIS  13  -0.742  11.679  11.679
  366    HE1  HIS  13           HE1      HIS  13   1.607   9.217   9.217
  367    H    GLN  14           H        GLN  14  -4.582   8.526   8.526
  368    HA   GLN  14           HA       GLN  14  -4.279   6.320   6.320
  369   1HB   GLN  14          2HB       GLN  14  -5.425   8.599   8.599
  370   2HB   GLN  14          1HB       GLN  14  -6.832   7.878   7.878
  371   1HG   GLN  14          2HG       GLN  14  -6.872   6.066   6.066
  372   2HG   GLN  14          1HG       GLN  14  -5.369   6.633   6.633
  373   1HE2  GLN  14          2HE2      GLN  14  -7.545   8.269   8.269
  374   2HE2  GLN  14          1HE2      GLN  14  -6.514   6.939   6.939
  375    H    GLN  15           H        GLN  15  -6.467   7.041   7.041
  376    HA   GLN  15           HA       GLN  15  -8.094   4.749   4.749
  377   1HB   GLN  15          2HB       GLN  15  -8.211   6.921   6.921
  378   2HB   GLN  15          1HB       GLN  15  -7.482   5.800   5.800
  379   1HG   GLN  15          2HG       GLN  15  -9.679   5.261   5.261
  380   2HG   GLN  15          1HG       GLN  15  -9.407   4.199   4.199
  381   1HE2  GLN  15          2HE2      GLN  15 -11.502   7.688   7.688
  382   2HE2  GLN  15          1HE2      GLN  15 -10.372   7.619   7.619
  383    H    ASP  16           H        ASP  16  -5.283   5.356   5.356
  384    HA   ASP  16           HA       ASP  16  -5.152   2.768   2.768
  385   1HB   ASP  16          2HB       ASP  16  -3.865   5.011   5.011
  386   2HB   ASP  16          1HB       ASP  16  -2.636   4.311   4.311
  387    H    ILE  17           H        ILE  17  -3.610   4.184   4.184
  388    HA   ILE  17           HA       ILE  17  -1.992   1.978   1.978
  389    HB   ILE  17           HB       ILE  17  -3.129   4.317   4.317
  390   1HG1  ILE  17          2HG1      ILE  17  -0.286   3.380   3.380
  391   2HG1  ILE  17          1HG1      ILE  17  -1.137   4.501   4.501
  392   1HG2  ILE  17          2HG2      ILE  17  -1.900   1.840   1.840
  393   2HG2  ILE  17          1HG2      ILE  17  -1.484   3.403   3.403
  394   3HG2  ILE  17          3HG2      ILE  17  -3.168   2.875   2.875
  395   1HD1  ILE  17          2HD1      ILE  17  -1.494   6.026   6.026
  396   2HD1  ILE  17          1HD1      ILE  17  -0.564   4.925   4.925
  397   3HD1  ILE  17          3HD1      ILE  17   0.219   5.758   5.758
  398    H    ASP  18           H        ASP  18  -4.853   3.012   3.012
  399    HA   ASP  18           HA       ASP  18  -5.313   0.756   0.756
  400   1HB   ASP  18          2HB       ASP  18  -7.033   2.958   2.958
  401   2HB   ASP  18          1HB       ASP  18  -7.886   1.510   1.510
  402    H    ASP  19           H        ASP  19  -6.133   1.282   1.282
  403    HA   ASP  19           HA       ASP  19  -7.831  -0.996  -0.996
  404   1HB   ASP  19          2HB       ASP  19  -7.744   0.941   0.941
  405   2HB   ASP  19          1HB       ASP  19  -6.168   0.358   0.358
  406    H    LEU  20           H        LEU  20  -4.382  -0.385  -0.385
  407    HA   LEU  20           HA       LEU  20  -3.739  -2.968  -2.968
  408   1HB   LEU  20          2HB       LEU  20  -2.064  -0.830  -0.830
  409   2HB   LEU  20          1HB       LEU  20  -1.388  -2.330  -2.330
  410    HG   LEU  20           HG       LEU  20  -3.117  -0.548  -0.548
  411   1HD1  LEU  20          1HD1      LEU  20  -1.112   0.691   0.691
  412   2HD1  LEU  20          3HD1      LEU  20  -0.094  -0.460  -0.460
  413   3HD1  LEU  20          2HD1      LEU  20  -1.173   0.610   0.610
  414   1HD2  LEU  20          3HD2      LEU  20  -2.343  -3.046  -3.046
  415   2HD2  LEU  20          2HD2      LEU  20  -2.341  -1.849  -1.849
  416   3HD2  LEU  20          1HD2      LEU  20  -0.837  -2.255  -2.255
  417    H    LYS  21           H        LYS  21  -3.926  -1.552  -1.552
  418    HA   LYS  21           HA       LYS  21  -2.671  -3.652  -3.652
  419   1HB   LYS  21          2HB       LYS  21  -3.510  -1.199  -1.199
  420   2HB   LYS  21          1HB       LYS  21  -4.874  -2.141  -2.141
  421   1HG   LYS  21          2HG       LYS  21  -3.318  -3.594  -3.594
  422   2HG   LYS  21          1HG       LYS  21  -1.958  -2.635  -2.635
  423   1HD   LYS  21          2HD       LYS  21  -4.262  -1.376  -1.376
  424   2HD   LYS  21          1HD       LYS  21  -2.865  -2.048  -2.048
  425   1HE   LYS  21          2HE       LYS  21  -1.400  -0.590  -0.590
  426   2HE   LYS  21          1HE       LYS  21  -2.870   0.185   0.185
  427   1HZ   LYS  21          3HZ       LYS  21  -3.410   0.596   0.596
  428   2HZ   LYS  21          2HZ       LYS  21  -1.809   0.148   0.148
  429   3HZ   LYS  21          1HZ       LYS  21  -2.121   1.496   1.496
  430    H    ARG  22           H        ARG  22  -6.089  -2.949  -2.949
  431    HA   ARG  22           HA       ARG  22  -7.176  -5.175  -5.175
  432   1HB   ARG  22          2HB       ARG  22  -8.151  -3.379  -3.379
  433   2HB   ARG  22          1HB       ARG  22  -9.067  -4.821  -4.821
  434   1HG   ARG  22          2HG       ARG  22  -8.612  -3.843  -3.843
  435   2HG   ARG  22          1HG       ARG  22  -8.629  -2.335  -2.335
  436   1HD   ARG  22          2HD       ARG  22 -10.782  -4.287  -4.287
  437   2HD   ARG  22          1HD       ARG  22 -10.874  -3.496  -3.496
  438    HE   ARG  22           HE       ARG  22 -10.390  -1.594  -1.594
  439   1HH1  ARG  22          1HH1      ARG  22 -12.893  -3.577  -3.577
  440   2HH1  ARG  22          2HH1      ARG  22 -14.170  -2.511  -2.511
  441   1HH2  ARG  22          1HH2      ARG  22 -12.084  -0.232  -0.232
  442   2HH2  ARG  22          2HH2      ARG  22 -13.718  -0.633  -0.633
  443    H    GLN  23           H        GLN  23  -6.189  -4.718  -4.718
  444    HA   GLN  23           HA       GLN  23  -6.960  -7.296  -7.296
  445   1HB   GLN  23          2HB       GLN  23  -6.450  -5.330  -5.330
  446   2HB   GLN  23          1HB       GLN  23  -4.740  -5.575  -5.575
  447   1HG   GLN  23          2HG       GLN  23  -5.249  -6.720  -6.720
  448   2HG   GLN  23          1HG       GLN  23  -4.969  -7.935  -7.935
  449   1HE2  GLN  23          2HE2      GLN  23  -8.057  -9.382  -9.382
  450   2HE2  GLN  23          1HE2      GLN  23  -6.383  -9.593  -9.593
  451    H    ASN  24           H        ASN  24  -3.758  -5.979  -5.979
  452    HA   ASN  24           HA       ASN  24  -2.350  -8.412  -8.412
  453   1HB   ASN  24          2HB       ASN  24  -1.747  -6.016  -6.016
  454   2HB   ASN  24          1HB       ASN  24  -0.613  -7.309  -7.309
  455   1HD2  ASN  24          2HD2      ASN  24   0.342  -5.052  -5.052
  456   2HD2  ASN  24          1HD2      ASN  24   0.735  -5.572  -5.572
  457    H    ALA  25           H        ALA  25  -4.197  -6.983  -6.983
  458    HA   ALA  25           HA       ALA  25  -3.312  -8.623  -8.623
  459   1HB   ALA  25          1HB       ALA  25  -5.822  -7.064  -7.064
  460   2HB   ALA  25          3HB       ALA  25  -5.729  -8.142  -8.142
  461   3HB   ALA  25          2HB       ALA  25  -4.586  -6.807  -6.807
  462    H    LEU  26           H        LEU  26  -6.250  -8.928  -8.928
  463    HA   LEU  26           HA       LEU  26  -7.030 -11.450 -11.450
  464   1HB   LEU  26          2HB       LEU  26  -8.261  -9.689  -9.689
  465   2HB   LEU  26          1HB       LEU  26  -7.636 -10.752 -10.752
  466    HG   LEU  26           HG       LEU  26  -8.585 -12.642 -12.642
  467   1HD1  LEU  26          3HD1      LEU  26  -9.264 -10.726 -10.726
  468   2HD1  LEU  26          2HD1      LEU  26 -10.585 -10.440 -10.440
  469   3HD1  LEU  26          1HD1      LEU  26 -10.444 -11.997 -11.997
  470   1HD2  LEU  26          3HD2      LEU  26  -9.945 -10.946 -10.946
  471   2HD2  LEU  26          2HD2      LEU  26  -9.444 -12.635 -12.635
  472   3HD2  LEU  26          1HD2      LEU  26 -10.879 -12.191 -12.191
  473    H    LEU  27           H        LEU  27  -4.809 -10.496 -10.496
  474    HA   LEU  27           HA       LEU  27  -4.541 -13.002 -13.002
  475   1HB   LEU  27          2HB       LEU  27  -2.709 -10.617 -10.617
  476   2HB   LEU  27          1HB       LEU  27  -2.244 -12.066 -12.066
  477    HG   LEU  27           HG       LEU  27  -4.853 -10.629 -10.629
  478   1HD1  LEU  27          3HD1      LEU  27  -2.082 -10.077 -10.077
  479   2HD1  LEU  27          2HD1      LEU  27  -3.475  -9.814  -9.814
  480   3HD1  LEU  27          1HD1      LEU  27  -3.339  -8.935  -8.935
  481   1HD2  LEU  27          2HD2      LEU  27  -3.176 -12.699 -12.699
  482   2HD2  LEU  27          1HD2      LEU  27  -4.853 -12.832 -12.832
  483   3HD2  LEU  27          3HD2      LEU  27  -4.435 -11.784 -11.784
  484    H    GLU  28           H        GLU  28  -2.361 -11.438 -11.438
  485    HA   GLU  28           HA       GLU  28  -0.720 -13.684 -13.684
  486   1HB   GLU  28          2HB       GLU  28  -1.316 -11.588 -11.588
  487   2HB   GLU  28          1HB       GLU  28   0.163 -12.514 -12.514
  488   1HG   GLU  28          2HG       GLU  28  -0.351 -11.145 -11.145
  489   2HG   GLU  28          1HG       GLU  28  -0.544  -9.978  -9.978
  490    H    GLN  29           H        GLN  29  -3.670 -12.562 -12.562
  491    HA   GLN  29           HA       GLN  29  -3.771 -14.272 -14.272
  492   1HB   GLN  29          2HB       GLN  29  -5.372 -12.353 -12.353
  493   2HB   GLN  29          1HB       GLN  29  -6.239 -13.595 -13.595
  494   1HG   GLN  29          2HG       GLN  29  -5.986 -14.920 -14.920
  495   2HG   GLN  29          1HG       GLN  29  -5.911 -13.281 -13.281
  496   1HE2  GLN  29          2HE2      GLN  29  -9.471 -14.770 -14.770
  497   2HE2  GLN  29          1HE2      GLN  29  -8.076 -15.719 -15.719
  498    H    GLN  30           H        GLN  30  -4.381 -14.922 -14.922
  499    HA   GLN  30           HA       GLN  30  -5.471 -17.578 -17.578
  500   1HB   GLN  30          2HB       GLN  30  -6.385 -16.018 -16.018
  501   2HB   GLN  30          1HB       GLN  30  -4.947 -16.479 -16.479
  502   1HG   GLN  30          2HG       GLN  30  -5.554 -18.854 -18.854
  503   2HG   GLN  30          1HG       GLN  30  -6.984 -18.408 -18.408
  504   1HE2  GLN  30          2HE2      GLN  30  -8.679 -18.457 -18.457
  505   2HE2  GLN  30          1HE2      GLN  30  -8.477 -19.229 -19.229
  506    H    VAL  31           H        VAL  31  -2.613 -16.002 -16.002
  507    HA   VAL  31           HA       VAL  31  -1.349 -18.335 -18.335
  508    HB   VAL  31           HB       VAL  31  -0.040 -15.797 -15.797
  509   1HG1  VAL  31          3HG1      VAL  31   1.181 -18.111 -18.111
  510   2HG1  VAL  31          2HG1      VAL  31   1.025 -17.346 -17.346
  511   3HG1  VAL  31          1HG1      VAL  31   1.886 -16.519 -16.519
  512   1HG2  VAL  31          1HG2      VAL  31  -1.954 -15.978 -15.978
  513   2HG2  VAL  31          3HG2      VAL  31  -0.726 -14.719 -14.719
  514   3HG2  VAL  31          2HG2      VAL  31  -0.449 -16.131 -16.131
  515    H    ARG  32           H        ARG  32  -1.396 -16.767 -16.767
  516    HA   ARG  32           HA       ARG  32   0.735 -18.164 -18.164
  517   1HB   ARG  32          2HB       ARG  32  -0.377 -17.613 -17.613
  518   2HB   ARG  32          1HB       ARG  32  -0.249 -16.220 -16.220
  519   1HG   ARG  32          2HG       ARG  32  -2.566 -16.482 -16.482
  520   2HG   ARG  32          1HG       ARG  32  -2.713 -17.972 -17.972
  521   1HD   ARG  32          2HD       ARG  32  -2.252 -15.184 -15.184
  522   2HD   ARG  32          1HD       ARG  32  -3.696 -16.170 -16.170
  523    HE   ARG  32           HE       ARG  32  -1.686 -17.701 -17.701
  524   1HH1  ARG  32          1HH1      ARG  32  -2.844 -14.441 -14.441
  525   2HH1  ARG  32          2HH1      ARG  32  -2.378 -14.427 -14.427
  526   1HH2  ARG  32          1HH2      ARG  32  -1.094 -17.639 -17.639
  527   2HH2  ARG  32          2HH2      ARG  32  -1.395 -16.221 -16.221
  528    H    ALA  33           H        ALA  33  -2.608 -19.034 -19.034
  529    HA   ALA  33           HA       ALA  33  -2.501 -21.410 -21.410
  530   1HB   ALA  33          1HB       ALA  33  -4.538 -20.349 -20.349
  531   2HB   ALA  33          3HB       ALA  33  -4.720 -21.898 -21.898
  532   3HB   ALA  33          2HB       ALA  33  -4.655 -20.405 -20.405
  533    H    LEU  34           H        LEU  34  -2.452 -20.652 -20.652
  534    HA   LEU  34           HA       LEU  34  -1.993 -23.466 -23.466
  535   1HB   LEU  34          2HB       LEU  34  -2.642 -20.993 -20.993
  536   2HB   LEU  34          1HB       LEU  34  -1.820 -22.316 -22.316
  537    HG   LEU  34           HG       LEU  34  -3.646 -23.823 -23.823
  538   1HD1  LEU  34          3HD1      LEU  34  -4.441 -21.888 -21.888
  539   2HD1  LEU  34          2HD1      LEU  34  -5.127 -21.184 -21.184
  540   3HD1  LEU  34          1HD1      LEU  34  -5.706 -22.744 -22.744
  541   1HD2  LEU  34          1HD2      LEU  34  -3.956 -21.915 -21.915
  542   2HD2  LEU  34          3HD2      LEU  34  -3.733 -23.664 -23.664
  543   3HD2  LEU  34          2HD2      LEU  34  -5.292 -22.981 -22.981
  544   1HN   NH2  35          1HT       LEU  34   0.150 -24.038 -24.038
  545   2HN   NH2  35          2HT       LEU  34   1.506 -23.192 -23.192

  Start of MODEL   34
    1   1H    ACE   2          1HA       ACE   2   2.844  29.189  29.189
    2   2H    ACE   2          2HA       ACE   2   2.770  29.410  29.410
    3   3H    ACE   2          3HA       ACE   2   1.288  29.452  29.452
    4    H    CYS   3           H        CYS   3   4.078  27.231  27.231
    5    HA   CYS   3           HA       CYS   3   2.449  25.066  25.066
    6   1HB   CYS   3          2HB       CYS   3   2.931  23.570  23.570
    7   2HB   CYS   3          1HB       CYS   3   1.836  24.894  24.894
    8    H    GLY   4           H        GLY   4   3.692  23.930  23.930
    9   1HA   GLY   4          2HA       GLY   4   6.449  23.295  23.295
   10   2HA   GLY   4          1HA       GLY   4   6.246  24.311  24.311
   11    H    GLY   5           H        GLY   5   6.566  21.190  21.190
   12   1HA   GLY   5          2HA       GLY   5   6.789  19.505  19.505
   13   2HA   GLY   5          1HA       GLY   5   5.287  20.133  20.133
   14    H    VAL   6           H        VAL   6   4.014  20.450  20.450
   15    HA   VAL   6           HA       VAL   6   2.794  17.901  17.901
   16    HB   VAL   6           HB       VAL   6   2.756  20.117  20.117
   17   1HG1  VAL   6          3HG1      VAL   6   0.884  17.826  17.826
   18   2HG1  VAL   6          2HG1      VAL   6   0.480  19.139  19.139
   19   3HG1  VAL   6          1HG1      VAL   6   1.808  18.043  18.043
   20   1HG2  VAL   6          3HG2      VAL   6   1.245  19.730  19.730
   21   2HG2  VAL   6          2HG2      VAL   6   2.089  21.170  21.170
   22   3HG2  VAL   6          1HG2      VAL   6   0.570  20.681  20.681
   23    H    GLN   7           H        GLN   7   5.442  19.455  19.455
   24    HA   GLN   7           HA       GLN   7   5.612  17.741  17.741
   25   1HB   GLN   7          2HB       GLN   7   7.586  19.483  19.483
   26   2HB   GLN   7          1HB       GLN   7   8.131  18.407  18.407
   27   1HG   GLN   7          2HG       GLN   7   6.140  19.441  19.441
   28   2HG   GLN   7          1HG       GLN   7   6.243  20.742  20.742
   29   1HE2  GLN   7          2HE2      GLN   7   9.048  20.456  20.456
   30   2HE2  GLN   7          1HE2      GLN   7   7.748  19.370  19.370
   31    H    ALA   8           H        ALA   8   6.971  17.524  17.524
   32    HA   ALA   8           HA       ALA   8   8.473  15.130  15.130
   33   1HB   ALA   8          1HB       ALA   8   7.821  16.743  16.743
   34   2HB   ALA   8          3HB       ALA   8   8.375  15.083  15.083
   35   3HB   ALA   8          2HB       ALA   8   9.392  16.248  16.248
   36    H    GLU   9           H        GLU   9   5.298  15.899  15.899
   37    HA   GLU   9           HA       GLU   9   4.710  13.221  13.221
   38   1HB   GLU   9          2HB       GLU   9   3.608  15.351  15.351
   39   2HB   GLU   9          1HB       GLU   9   2.690  15.371  15.371
   40   1HG   GLU   9          2HG       GLU   9   2.137  12.885  12.885
   41   2HG   GLU   9          1HG       GLU   9   2.597  13.369  13.369
   42    H    GLU  10           H        GLU  10   4.266  15.079  15.079
   43    HA   GLU  10           HA       GLU  10   2.412  13.331  13.331
   44   1HB   GLU  10          2HB       GLU  10   3.026  15.737  15.737
   45   2HB   GLU  10          1HB       GLU  10   4.432  15.029  15.029
   46   1HG   GLU  10          2HG       GLU  10   2.966  13.578  13.578
   47   2HG   GLU  10          1HG       GLU  10   1.549  14.252  14.252
   48    H    GLN  11           H        GLN  11   5.951  13.637  13.637
   49    HA   GLN  11           HA       GLN  11   6.371  11.564  11.564
   50   1HB   GLN  11          2HB       GLN  11   8.702  11.531  11.531
   51   2HB   GLN  11          1HB       GLN  11   8.137  13.153  13.153
   52   1HG   GLN  11          2HG       GLN  11   7.723  13.671  13.671
   53   2HG   GLN  11          1HG       GLN  11   7.969  11.993  11.993
   54   1HE2  GLN  11          2HE2      GLN  11  11.388  12.552  12.552
   55   2HE2  GLN  11          1HE2      GLN  11   9.969  11.736  11.736
   56    H    LYS  12           H        LYS  12   5.869  11.549  11.549
   57    HA   LYS  12           HA       LYS  12   6.801   8.895   8.895
   58   1HB   LYS  12          2HB       LYS  12   5.059  10.819  10.819
   59   2HB   LYS  12          1HB       LYS  12   5.244   9.154   9.154
   60   1HG   LYS  12          2HG       LYS  12   7.660   9.411   9.411
   61   2HG   LYS  12          1HG       LYS  12   7.558  11.028  11.028
   62   1HD   LYS  12          2HD       LYS  12   7.602  11.627  11.627
   63   2HD   LYS  12          1HD       LYS  12   5.866  11.360  11.360
   64   1HE   LYS  12          2HE       LYS  12   6.372  10.074  10.074
   65   2HE   LYS  12          1HE       LYS  12   6.476   8.875   8.875
   66   1HZ   LYS  12          3HZ       LYS  12   8.896   9.405   9.405
   67   2HZ   LYS  12          2HZ       LYS  12   8.710  10.326  10.326
   68   3HZ   LYS  12          1HZ       LYS  12   8.407   8.654   8.654
   69    H    LEU  13           H        LEU  13   3.601  10.297  10.297
   70    HA   LEU  13           HA       LEU  13   2.089   7.941   7.941
   71   1HB   LEU  13          2HB       LEU  13   1.670  10.532  10.532
   72   2HB   LEU  13          1HB       LEU  13   0.559   9.196   9.196
   73    HG   LEU  13           HG       LEU  13   1.269  10.086  10.086
   74   1HD1  LEU  13          3HD1      LEU  13  -0.771  11.168  11.168
   75   2HD1  LEU  13          2HD1      LEU  13  -1.113  11.158  11.158
   76   3HD1  LEU  13          1HD1      LEU  13   0.281  12.046  12.046
   77   1HD2  LEU  13          1HD2      LEU  13   0.058   7.823   7.823
   78   2HD2  LEU  13          3HD2      LEU  13  -0.374   8.624   8.624
   79   3HD2  LEU  13          2HD2      LEU  13  -1.347   8.888   8.888
   80    H    ILE  14           H        ILE  14   3.828   9.274   9.274
   81    HA   ILE  14           HA       ILE  14   2.837   7.433   7.433
   82    HB   ILE  14           HB       ILE  14   5.481   8.913   8.913
   83   1HG1  ILE  14          2HG1      ILE  14   2.947   9.784   9.784
   84   2HG1  ILE  14          1HG1      ILE  14   3.259  10.243  10.243
   85   1HG2  ILE  14          1HG2      ILE  14   3.805   7.657   7.657
   86   2HG2  ILE  14          3HG2      ILE  14   5.193   8.706   8.706
   87   3HG2  ILE  14          2HG2      ILE  14   5.414   7.154   7.154
   88   1HD1  ILE  14          2HD1      ILE  14   5.624  10.939  10.939
   89   2HD1  ILE  14          1HD1      ILE  14   4.716  11.046  11.046
   90   3HD1  ILE  14          3HD1      ILE  14   4.243  12.029  12.029
   91    H    SER  15           H        SER  15   5.959   7.574   7.574
   92    HA   SER  15           HA       SER  15   6.959   5.121   5.121
   93   1HB   SER  15          2HB       SER  15   7.527   6.397   6.397
   94   2HB   SER  15          1HB       SER  15   8.542   5.238   5.238
   95    HG   SER  15           HG       SER  15   9.276   7.334   7.334
   96    H    GLU  16           H        GLU  16   4.755   5.893   5.893
   97    HA   GLU  16           HA       GLU  16   4.871   3.452   3.452
   98   1HB   GLU  16          2HB       GLU  16   2.860   5.652   5.652
   99   2HB   GLU  16          1HB       GLU  16   2.367   4.137   4.137
  100   1HG   GLU  16          2HG       GLU  16   4.942   5.431   5.431
  101   2HG   GLU  16          1HG       GLU  16   3.416   6.043   6.043
  102    H    GLU  17           H        GLU  17   2.447   4.546   4.546
  103    HA   GLU  17           HA       GLU  17   1.150   2.056   2.056
  104   1HB   GLU  17          2HB       GLU  17   0.249   2.974   2.974
  105   2HB   GLU  17          1HB       GLU  17   0.082   4.098   4.098
  106   1HG   GLU  17          2HG       GLU  17   2.022   5.356   5.356
  107   2HG   GLU  17          1HG       GLU  17   2.367   4.170   4.170
  108    H    ASP  18           H        ASP  18   3.984   3.407   3.407
  109    HA   ASP  18           HA       ASP  18   4.207   1.591   1.591
  110   1HB   ASP  18          2HB       ASP  18   5.582   3.782   3.782
  111   2HB   ASP  18          1HB       ASP  18   6.686   2.579   2.579
  112    H    LEU  19           H        LEU  19   5.408   1.485   1.485
  113    HA   LEU  19           HA       LEU  19   6.928  -0.883  -0.883
  114   1HB   LEU  19          2HB       LEU  19   6.741   0.854   0.854
  115   2HB   LEU  19          1HB       LEU  19   5.458  -0.217  -0.217
  116    HG   LEU  19           HG       LEU  19   8.041  -1.458  -1.458
  117   1HD1  LEU  19          1HD1      LEU  19   7.606  -0.041  -0.041
  118   2HD1  LEU  19          3HD1      LEU  19   8.966  -1.100  -1.100
  119   3HD1  LEU  19          2HD1      LEU  19   8.769   0.421   0.421
  120   1HD2  LEU  19          2HD2      LEU  19   5.805  -1.990  -1.990
  121   2HD2  LEU  19          1HD2      LEU  19   6.433  -3.033  -3.033
  122   3HD2  LEU  19          3HD2      LEU  19   7.362  -2.792  -2.792
  123    H    LEU  20           H        LEU  20   3.518  -0.303  -0.303
  124    HA   LEU  20           HA       LEU  20   2.812  -2.944  -2.944
  125   1HB   LEU  20          2HB       LEU  20   1.336  -0.533  -0.533
  126   2HB   LEU  20          1HB       LEU  20   0.510  -2.089  -2.089
  127    HG   LEU  20           HG       LEU  20   1.952  -1.310  -1.310
  128   1HD1  LEU  20          3HD1      LEU  20  -0.797  -0.394  -0.394
  129   2HD1  LEU  20          2HD1      LEU  20  -0.267  -0.384  -0.384
  130   3HD1  LEU  20          1HD1      LEU  20   0.561   0.618   0.618
  131   1HD2  LEU  20          2HD2      LEU  20  -0.249  -3.173  -3.173
  132   2HD2  LEU  20          1HD2      LEU  20   1.179  -3.512  -3.512
  133   3HD2  LEU  20          3HD2      LEU  20  -0.178  -2.627  -2.627
  134    H    ARG  21           H        ARG  21   3.204  -1.334  -1.334
  135    HA   ARG  21           HA       ARG  21   1.935  -3.290  -3.290
  136   1HB   ARG  21          2HB       ARG  21   4.174  -1.373  -1.373
  137   2HB   ARG  21          1HB       ARG  21   3.196  -2.273  -2.273
  138   1HG   ARG  21          2HG       ARG  21   1.188  -1.159  -1.159
  139   2HG   ARG  21          1HG       ARG  21   2.419   0.029   0.029
  140   1HD   ARG  21          2HD       ARG  21   2.924  -0.167  -0.167
  141   2HD   ARG  21          1HD       ARG  21   1.213  -0.581  -0.581
  142    HE   ARG  21           HE       ARG  21   1.580   1.737   1.737
  143   1HH1  ARG  21          1HH1      ARG  21   1.736   0.687   0.687
  144   2HH1  ARG  21          2HH1      ARG  21   1.337   2.249   2.249
  145   1HH2  ARG  21          1HH2      ARG  21   1.063   3.756   3.756
  146   2HH2  ARG  21          2HH2      ARG  21   0.960   3.972   3.972
  147    H    LYS  22           H        LYS  22   5.231  -2.903  -2.903
  148    HA   LYS  22           HA       LYS  22   6.455  -4.935  -4.935
  149   1HB   LYS  22          2HB       LYS  22   7.579  -3.168  -3.168
  150   2HB   LYS  22          1HB       LYS  22   7.246  -4.266  -4.266
  151   1HG   LYS  22          2HG       LYS  22   8.369  -6.083  -6.083
  152   2HG   LYS  22          1HG       LYS  22   8.982  -4.747  -4.747
  153   1HD   LYS  22          2HD       LYS  22   9.312  -4.576  -4.576
  154   2HD   LYS  22          1HD       LYS  22  10.361  -5.685  -5.685
  155   1HE   LYS  22          2HE       LYS  22  11.638  -3.789  -3.789
  156   2HE   LYS  22          1HE       LYS  22  10.573  -3.537  -3.537
  157   1HZ   LYS  22          2HZ       LYS  22   9.069  -2.384  -2.384
  158   2HZ   LYS  22          1HZ       LYS  22  10.474  -2.286  -2.286
  159   3HZ   LYS  22          3HZ       LYS  22  10.432  -1.549  -1.549
  160    H    ARG  23           H        ARG  23   4.845  -4.997  -4.997
  161    HA   ARG  23           HA       ARG  23   5.370  -7.705  -7.705
  162   1HB   ARG  23          2HB       ARG  23   4.492  -5.976  -5.976
  163   2HB   ARG  23          1HB       ARG  23   2.921  -6.131  -6.131
  164   1HG   ARG  23          2HG       ARG  23   3.310  -8.710  -8.710
  165   2HG   ARG  23          1HG       ARG  23   4.400  -8.124  -8.124
  166   1HD   ARG  23          2HD       ARG  23   2.459  -6.623  -6.623
  167   2HD   ARG  23          1HD       ARG  23   1.439  -7.613  -7.613
  168    HE   ARG  23           HE       ARG  23   2.876  -9.361  -9.361
  169   1HH1  ARG  23          1HH1      ARG  23   0.498  -6.816  -6.816
  170   2HH1  ARG  23          2HH1      ARG  23  -0.184  -7.497  -7.497
  171   1HH2  ARG  23          1HH2      ARG  23   1.958 -10.213 -10.213
  172   2HH2  ARG  23          2HH2      ARG  23   0.635  -9.403  -9.403
  173    H    ARG  24           H        ARG  24   2.930  -6.137  -6.137
  174    HA   ARG  24           HA       ARG  24   1.100  -8.263  -8.263
  175   1HB   ARG  24          2HB       ARG  24   1.047  -5.750  -5.750
  176   2HB   ARG  24          1HB       ARG  24   1.646  -6.498  -6.498
  177   1HG   ARG  24          2HG       ARG  24  -0.320  -7.597  -7.597
  178   2HG   ARG  24          1HG       ARG  24  -0.628  -7.882  -7.882
  179   1HD   ARG  24          2HD       ARG  24  -1.774  -5.927  -5.927
  180   2HD   ARG  24          1HD       ARG  24  -0.725  -5.047  -5.047
  181    HE   ARG  24           HE       ARG  24  -3.216  -6.292  -6.292
  182   1HH1  ARG  24          1HH1      ARG  24  -0.029  -5.582  -5.582
  183   2HH1  ARG  24          2HH1      ARG  24  -0.559  -5.579  -5.579
  184   1HH2  ARG  24          1HH2      ARG  24  -3.865  -6.277  -6.277
  185   2HH2  ARG  24          2HH2      ARG  24  -2.711  -5.971  -5.971
  186    H    GLU  25           H        GLU  25   3.857  -7.335  -7.335
  187    HA   GLU  25           HA       GLU  25   3.620  -9.478  -9.478
  188   1HB   GLU  25          2HB       GLU  25   5.107  -7.283  -7.283
  189   2HB   GLU  25          1HB       GLU  25   6.312  -8.362  -8.362
  190   1HG   GLU  25          2HG       GLU  25   6.613  -8.502  -8.502
  191   2HG   GLU  25          1HG       GLU  25   5.779  -9.983  -9.983
  192    H    GLN  26           H        GLN  26   5.309  -9.133  -9.133
  193    HA   GLN  26           HA       GLN  26   6.802 -11.536 -11.536
  194   1HB   GLN  26          2HB       GLN  26   5.809  -9.864  -9.864
  195   2HB   GLN  26          1HB       GLN  26   6.775 -11.320 -11.320
  196   1HG   GLN  26          2HG       GLN  26   7.780  -9.336  -9.336
  197   2HG   GLN  26          1HG       GLN  26   7.900  -8.898  -8.898
  198   1HE2  GLN  26          1HE2      GLN  26   9.709  -9.696  -9.696
  199   2HE2  GLN  26          2HE2      GLN  26  10.650 -11.007 -11.007
  200    H    LEU  27           H        LEU  27   3.514 -10.795 -10.795
  201    HA   LEU  27           HA       LEU  27   2.908 -13.229 -13.229
  202   1HB   LEU  27          2HB       LEU  27   1.213 -11.169 -11.169
  203   2HB   LEU  27          1HB       LEU  27   0.507 -12.631 -12.631
  204    HG   LEU  27           HG       LEU  27   2.343 -10.899 -10.899
  205   1HD1  LEU  27          1HD1      LEU  27   0.177  -9.769  -9.769
  206   2HD1  LEU  27          3HD1      LEU  27  -0.605 -10.551 -10.551
  207   3HD1  LEU  27          2HD1      LEU  27   0.692  -9.386  -9.386
  208   1HD2  LEU  27          2HD2      LEU  27   0.204 -12.971 -12.971
  209   2HD2  LEU  27          1HD2      LEU  27   1.882 -12.973 -12.973
  210   3HD2  LEU  27          3HD2      LEU  27   0.720 -11.866 -11.866
  211    H    LYS  28           H        LYS  28   2.507 -12.184 -12.184
  212    HA   LYS  28           HA       LYS  28   1.311 -14.559 -14.559
  213   1HB   LYS  28          2HB       LYS  28   2.817 -12.309 -12.309
  214   2HB   LYS  28          1HB       LYS  28   2.402 -13.743 -13.743
  215   1HG   LYS  28          2HG       LYS  28   0.275 -12.446 -12.446
  216   2HG   LYS  28          1HG       LYS  28   0.721 -11.703 -11.703
  217   1HD   LYS  28          2HD       LYS  28   0.489 -14.168 -14.168
  218   2HD   LYS  28          1HD       LYS  28  -0.522 -14.384 -14.384
  219   1HE   LYS  28          2HE       LYS  28  -2.081 -13.681 -13.681
  220   2HE   LYS  28          1HE       LYS  28  -1.666 -12.168 -12.168
  221   1HZ   LYS  28          2HZ       LYS  28  -0.248 -13.126 -13.126
  222   2HZ   LYS  28          1HZ       LYS  28  -1.633 -12.143 -12.143
  223   3HZ   LYS  28          3HZ       LYS  28  -0.232 -11.567 -11.567
  224    H    HIS  29           H        HIS  29   4.648 -13.614 -13.614
  225    HA   HIS  29           HA       HIS  29   5.843 -15.768 -15.768
  226   1HB   HIS  29          2HB       HIS  29   6.910 -14.039 -14.039
  227   2HB   HIS  29          1HB       HIS  29   7.881 -15.194 -15.194
  228    HD1  HIS  29           HD1      HIS  29   6.898 -14.718 -14.718
  229    HD2  HIS  29           HD2      HIS  29   7.680 -11.606 -11.606
  230    HE1  HIS  29           HE1      HIS  29   7.318 -12.657 -12.657
  231    H    LYS  30           H        LYS  30   4.671 -15.345 -15.345
  232    HA   LYS  30           HA       LYS  30   5.851 -17.712 -17.712
  233   1HB   LYS  30          2HB       LYS  30   3.669 -15.847 -15.847
  234   2HB   LYS  30          1HB       LYS  30   3.885 -17.387 -17.387
  235   1HG   LYS  30          2HG       LYS  30   6.282 -16.816 -16.816
  236   2HG   LYS  30          1HG       LYS  30   5.996 -15.243 -15.243
  237   1HD   LYS  30          2HD       LYS  30   4.170 -14.883 -14.883
  238   2HD   LYS  30          1HD       LYS  30   4.785 -16.320 -16.320
  239   1HE   LYS  30          2HE       LYS  30   6.785 -14.248 -14.248
  240   2HE   LYS  30          1HE       LYS  30   5.693 -13.854 -13.854
  241   1HZ   LYS  30          2HZ       LYS  30   6.315 -16.184 -16.184
  242   2HZ   LYS  30          1HZ       LYS  30   7.650 -16.049 -16.049
  243   3HZ   LYS  30          3HZ       LYS  30   7.432 -14.921 -14.921
  244    H    LEU  31           H        LEU  31   2.870 -16.986 -16.986
  245    HA   LEU  31           HA       LEU  31   1.515 -19.420 -19.420
  246   1HB   LEU  31          2HB       LEU  31   0.767 -17.100 -17.100
  247   2HB   LEU  31          1HB       LEU  31   0.986 -18.119 -18.119
  248    HG   LEU  31           HG       LEU  31  -1.331 -18.261 -18.261
  249   1HD1  LEU  31          2HD1      LEU  31   0.132 -20.337 -20.337
  250   2HD1  LEU  31          1HD1      LEU  31  -0.171 -20.881 -20.881
  251   3HD1  LEU  31          3HD1      LEU  31  -1.524 -20.555 -20.555
  252   1HD2  LEU  31          1HD2      LEU  31  -0.469 -17.837 -17.837
  253   2HD2  LEU  31          3HD2      LEU  31  -1.930 -18.787 -18.787
  254   3HD2  LEU  31          2HD2      LEU  31  -0.401 -19.599 -19.599
  255    H    GLU  32           H        GLU  32   3.717 -18.399 -18.399
  256    HA   GLU  32           HA       GLU  32   3.485 -20.940 -20.940
  257   1HB   GLU  32          2HB       GLU  32   5.254 -19.987 -19.987
  258   2HB   GLU  32          1HB       GLU  32   3.823 -18.963 -18.963
  259   1HG   GLU  32          2HG       GLU  32   4.908 -17.445 -17.445
  260   2HG   GLU  32          1HG       GLU  32   6.230 -18.571 -18.571
  261    H    GLN  33           H        GLN  33   5.617 -19.391 -19.391
  262    HA   GLN  33           HA       GLN  33   7.761 -21.299 -21.299
  263   1HB   GLN  33          2HB       GLN  33   8.038 -18.917 -18.917
  264   2HB   GLN  33          1HB       GLN  33   7.309 -19.458 -19.458
  265   1HG   GLN  33          2HG       GLN  33   9.577 -19.771 -19.771
  266   2HG   GLN  33          1HG       GLN  33   9.112 -21.367 -21.367
  267   1HE2  GLN  33          2HE2      GLN  33  11.287 -18.931 -18.931
  268   2HE2  GLN  33          1HE2      GLN  33  10.292 -18.221 -18.221
  269    H    LEU  34           H        LEU  34   5.679 -20.534 -20.534
  270    HA   LEU  34           HA       LEU  34   5.542 -23.427 -23.427
  271   1HB   LEU  34          2HB       LEU  34   6.268 -21.178 -21.178
  272   2HB   LEU  34          1HB       LEU  34   5.595 -22.695 -22.695
  273    HG   LEU  34           HG       LEU  34   7.869 -22.850 -22.850
  274   1HD1  LEU  34          3HD1      LEU  34   8.081 -21.979 -21.979
  275   2HD1  LEU  34          2HD1      LEU  34   9.424 -22.723 -22.723
  276   3HD1  LEU  34          1HD1      LEU  34   8.760 -21.185 -21.185
  277   1HD2  LEU  34          3HD2      LEU  34   6.559 -24.802 -24.802
  278   2HD2  LEU  34          2HD2      LEU  34   8.317 -24.880 -24.880
  279   3HD2  LEU  34          1HD2      LEU  34   7.365 -24.381 -24.381
  280   1HN   NH2  35          1HT       LEU  34   3.343 -23.666 -23.666
  281   2HN   NH2  35          2HT       LEU  34   2.079 -22.813 -22.813
  282   1H    ACE   2          1HA       ACE   2   2.727  20.201  20.201
  283   2H    ACE   2          2HA       ACE   2   4.113  21.248  21.248
  284   3H    ACE   2          3HA       ACE   2   2.783  21.185  21.185
  285    H    CYS   3           H        CYS   3   2.188  21.150  21.150
  286    HA   CYS   3           HA       CYS   3   1.129  22.627  22.627
  287   1HB   CYS   3          2HB       CYS   3   2.389  24.705  24.705
  288   2HB   CYS   3          1HB       CYS   3   1.681  25.015  25.015
  289    H    GLY   4           H        GLY   4  -0.250  21.582  21.582
  290   1HA   GLY   4          2HA       GLY   4  -2.379  23.614  23.614
  291   2HA   GLY   4          1HA       GLY   4  -1.766  22.900  22.900
  292    H    GLY   5           H        GLY   5  -2.363  21.403  21.403
  293   1HA   GLY   5          2HA       GLY   5  -4.781  20.237  20.237
  294   2HA   GLY   5          1HA       GLY   5  -3.801  19.219  19.219
  295    H    MET   6           H        MET   6  -3.632  20.696  20.696
  296    HA   MET   6           HA       MET   6  -1.807  18.816  18.816
  297   1HB   MET   6          2HB       MET   6  -2.371  21.075  21.075
  298   2HB   MET   6          1HB       MET   6  -3.880  20.367  20.367
  299   1HG   MET   6          2HG       MET   6  -2.599  18.654  18.654
  300   2HG   MET   6          1HG       MET   6  -1.093  19.379  19.379
  301   1HE   MET   6          1HE       MET   6  -0.758  18.947  18.947
  302   2HE   MET   6          3HE       MET   6  -0.096  20.511  20.511
  303   3HE   MET   6          2HE       MET   6  -1.427  19.789  19.789
  304    H    ARG   7           H        ARG   7  -5.272  19.163  19.163
  305    HA   ARG   7           HA       ARG   7  -5.413  16.503  16.503
  306   1HB   ARG   7          2HB       ARG   7  -6.869  18.662  18.662
  307   2HB   ARG   7          1HB       ARG   7  -7.879  17.999  17.999
  308   1HG   ARG   7          2HG       ARG   7  -8.382  16.072  16.072
  309   2HG   ARG   7          1HG       ARG   7  -6.919  16.176  16.176
  310   1HD   ARG   7          2HD       ARG   7  -8.901  16.746  16.746
  311   2HD   ARG   7          1HD       ARG   7  -7.835  18.138  18.138
  312    HE   ARG   7           HE       ARG   7  -9.540  19.219  19.219
  313   1HH1  ARG   7          1HH1      ARG   7 -10.119  15.768  15.768
  314   2HH1  ARG   7          2HH1      ARG   7 -11.664  15.932  15.932
  315   1HH2  ARG   7          1HH2      ARG   7 -11.558  19.388  19.388
  316   2HH2  ARG   7          2HH2      ARG   7 -12.473  17.963  17.963
  317    H    ARG   8           H        ARG   8  -6.146  18.020  18.020
  318    HA   ARG   8           HA       ARG   8  -7.783  16.042  16.042
  319   1HB   ARG   8          2HB       ARG   8  -5.932  18.115  18.115
  320   2HB   ARG   8          1HB       ARG   8  -6.624  16.901  16.901
  321   1HG   ARG   8          2HG       ARG   8  -8.482  18.255  18.255
  322   2HG   ARG   8          1HG       ARG   8  -7.892  19.201  19.201
  323   1HD   ARG   8          2HD       ARG   8  -9.172  16.467  16.467
  324   2HD   ARG   8          1HD       ARG   8 -10.018  17.988  17.988
  325    HE   ARG   8           HE       ARG   8  -7.642  17.734  17.734
  326   1HH1  ARG   8          1HH1      ARG   8 -11.036  16.912  16.912
  327   2HH1  ARG   8          2HH1      ARG   8 -11.232  16.745  16.745
  328   1HH2  ARG   8          1HH2      ARG   8  -7.941  17.505  17.505
  329   2HH2  ARG   8          2HH2      ARG   8  -9.496  17.077  17.077
  330    H    LYS   9           H        LYS   9  -4.247  16.442  16.442
  331    HA   LYS   9           HA       LYS   9  -3.829  14.001  14.001
  332   1HB   LYS   9          2HB       LYS   9  -2.279  16.111  16.111
  333   2HB   LYS   9          1HB       LYS   9  -1.685  15.257  15.257
  334   1HG   LYS   9          2HG       LYS   9  -0.269  14.404  14.404
  335   2HG   LYS   9          1HG       LYS   9  -1.564  13.207  13.207
  336   1HD   LYS   9          2HD       LYS   9  -1.220  13.767  13.767
  337   2HD   LYS   9          1HD       LYS   9  -2.653  14.682  14.682
  338   1HE   LYS   9          2HE       LYS   9  -1.483  16.416  16.416
  339   2HE   LYS   9          1HE       LYS   9  -0.744  16.476  16.476
  340   1HZ   LYS   9          1HZ       LYS   9   0.968  14.919  14.919
  341   2HZ   LYS   9          3HZ       LYS   9   0.310  15.111  15.111
  342   3HZ   LYS   9          2HZ       LYS   9   0.985  16.446  16.446
  343    H    ASN  10           H        ASN  10  -3.534  14.973  14.973
  344    HA   ASN  10           HA       ASN  10  -2.508  12.545  12.545
  345   1HB   ASN  10          2HB       ASN  10  -3.935  14.885  14.885
  346   2HB   ASN  10          1HB       ASN  10  -3.836  13.409  13.409
  347   1HD2  ASN  10          2HD2      ASN  10  -0.507  15.666  15.666
  348   2HD2  ASN  10          1HD2      ASN  10  -1.981  16.083  16.083
  349    H    ASP  11           H        ASP  11  -5.806  13.645  13.645
  350    HA   ASP  11           HA       ASP  11  -7.173  11.543  11.543
  351   1HB   ASP  11          2HB       ASP  11  -8.224  13.663  13.663
  352   2HB   ASP  11          1HB       ASP  11  -8.089  13.010  13.010
  353    H    THR  12           H        THR  12  -6.330  11.949  11.949
  354    HA   THR  12           HA       THR  12  -7.240   9.410   9.410
  355    HB   THR  12           HB       THR  12  -5.526   9.816   9.816
  356    HG1  THR  12           HG1      THR  12  -4.178  11.266  11.266
  357   1HG2  THR  12          1HG2      THR  12  -7.896  11.518  11.518
  358   2HG2  THR  12          3HG2      THR  12  -6.989  11.852  11.852
  359   3HG2  THR  12          2HG2      THR  12  -7.753  10.278  10.278
  360    H    HIS  13           H        HIS  13  -4.221  10.499  10.499
  361    HA   HIS  13           HA       HIS  13  -2.646   8.226   8.226
  362   1HB   HIS  13          2HB       HIS  13  -2.487  10.405  10.405
  363   2HB   HIS  13          1HB       HIS  13  -1.417   9.008   9.008
  364    HD1  HIS  13           HD1      HIS  13  -0.474   8.421   8.421
  365    HD2  HIS  13           HD2      HIS  13  -1.138  12.359  12.359
  366    HE1  HIS  13           HE1      HIS  13   0.881   9.880   9.880
  367    H    GLN  14           H        GLN  14  -4.625   9.066   9.066
  368    HA   GLN  14           HA       GLN  14  -4.048   6.798   6.798
  369   1HB   GLN  14          2HB       GLN  14  -5.291   8.925   8.925
  370   2HB   GLN  14          1HB       GLN  14  -6.724   8.190   8.190
  371   1HG   GLN  14          2HG       GLN  14  -6.884   6.573   6.573
  372   2HG   GLN  14          1HG       GLN  14  -5.137   6.486   6.486
  373   1HE2  GLN  14          2HE2      GLN  14  -7.139   8.478   8.478
  374   2HE2  GLN  14          1HE2      GLN  14  -7.707   7.169   7.169
  375    H    GLN  15           H        GLN  15  -6.258   7.297   7.297
  376    HA   GLN  15           HA       GLN  15  -7.791   4.913   4.913
  377   1HB   GLN  15          2HB       GLN  15  -7.396   6.716   6.716
  378   2HB   GLN  15          1HB       GLN  15  -8.447   5.300   5.300
  379   1HG   GLN  15          2HG       GLN  15  -8.761   7.272   7.272
  380   2HG   GLN  15          1HG       GLN  15  -9.422   7.674   7.674
  381   1HE2  GLN  15          2HE2      GLN  15 -11.899   5.081   5.081
  382   2HE2  GLN  15          1HE2      GLN  15 -10.962   6.021   6.021
  383    H    ASP  16           H        ASP  16  -4.929   5.745   5.745
  384    HA   ASP  16           HA       ASP  16  -4.716   3.390   3.390
  385   1HB   ASP  16          2HB       ASP  16  -3.296   5.658   5.658
  386   2HB   ASP  16          1HB       ASP  16  -2.212   4.647   4.647
  387    H    ILE  17           H        ILE  17  -3.383   4.202   4.202
  388    HA   ILE  17           HA       ILE  17  -1.999   1.771   1.771
  389    HB   ILE  17           HB       ILE  17  -2.950   4.010   4.010
  390   1HG1  ILE  17          2HG1      ILE  17  -0.376   3.562   3.562
  391   2HG1  ILE  17          1HG1      ILE  17  -0.403   2.813   2.813
  392   1HG2  ILE  17          3HG2      ILE  17  -2.215   1.254   1.254
  393   2HG2  ILE  17          2HG2      ILE  17  -1.741   2.666   2.666
  394   3HG2  ILE  17          1HG2      ILE  17  -3.445   2.358   2.358
  395   1HD1  ILE  17          1HD1      ILE  17  -1.610   4.992   4.992
  396   2HD1  ILE  17          3HD1      ILE  17  -0.981   5.673   5.673
  397   3HD1  ILE  17          2HD1      ILE  17   0.130   5.054   5.054
  398    H    ASP  18           H        ASP  18  -4.928   2.800   2.800
  399    HA   ASP  18           HA       ASP  18  -5.682   0.420   0.420
  400   1HB   ASP  18          2HB       ASP  18  -7.171   2.846   2.846
  401   2HB   ASP  18          1HB       ASP  18  -8.127   1.411   1.411
  402    H    ASP  19           H        ASP  19  -6.045   1.393   1.393
  403    HA   ASP  19           HA       ASP  19  -7.904  -0.694  -0.694
  404   1HB   ASP  19          2HB       ASP  19  -7.664   1.447   1.447
  405   2HB   ASP  19          1HB       ASP  19  -6.089   0.879   0.879
  406    H    LEU  20           H        LEU  20  -4.412  -0.259  -0.259
  407    HA   LEU  20           HA       LEU  20  -3.854  -2.668  -2.668
  408   1HB   LEU  20          2HB       LEU  20  -2.131  -0.877  -0.877
  409   2HB   LEU  20          1HB       LEU  20  -1.511  -2.296  -2.296
  410    HG   LEU  20           HG       LEU  20  -3.064  -0.170  -0.170
  411   1HD1  LEU  20          2HD1      LEU  20  -0.882   0.576   0.576
  412   2HD1  LEU  20          1HD1      LEU  20  -0.073  -0.189  -0.189
  413   3HD1  LEU  20          3HD1      LEU  20  -1.189   1.151   1.151
  414   1HD2  LEU  20          1HD2      LEU  20  -2.559  -2.491  -2.491
  415   2HD2  LEU  20          3HD2      LEU  20  -2.027  -1.123  -1.123
  416   3HD2  LEU  20          2HD2      LEU  20  -0.862  -2.014  -2.014
  417    H    LYS  21           H        LYS  21  -4.019  -1.767  -1.767
  418    HA   LYS  21           HA       LYS  21  -2.979  -4.153  -4.153
  419   1HB   LYS  21          2HB       LYS  21  -4.820  -2.021  -2.021
  420   2HB   LYS  21          1HB       LYS  21  -4.480  -3.466  -3.466
  421   1HG   LYS  21          2HG       LYS  21  -2.021  -2.995  -2.995
  422   2HG   LYS  21          1HG       LYS  21  -2.470  -1.455  -1.455
  423   1HD   LYS  21          2HD       LYS  21  -3.330  -0.598  -0.598
  424   2HD   LYS  21          1HD       LYS  21  -3.576  -2.200  -2.200
  425   1HE   LYS  21          2HE       LYS  21  -0.917  -2.310  -2.310
  426   2HE   LYS  21          1HE       LYS  21  -1.088  -0.560  -0.560
  427   1HZ   LYS  21          3HZ       LYS  21  -2.402  -2.394  -2.394
  428   2HZ   LYS  21          2HZ       LYS  21  -0.792  -1.904  -1.904
  429   3HZ   LYS  21          1HZ       LYS  21  -2.038  -0.750  -0.750
  430    H    ARG  22           H        ARG  22  -6.295  -3.175  -3.175
  431    HA   ARG  22           HA       ARG  22  -7.581  -5.505  -5.505
  432   1HB   ARG  22          2HB       ARG  22  -8.661  -3.287  -3.287
  433   2HB   ARG  22          1HB       ARG  22  -8.542  -3.877  -3.877
  434   1HG   ARG  22          2HG       ARG  22 -10.719  -4.504  -4.504
  435   2HG   ARG  22          1HG       ARG  22  -9.747  -5.976  -5.976
  436   1HD   ARG  22          2HD       ARG  22  -9.462  -5.943  -5.943
  437   2HD   ARG  22          1HD       ARG  22  -9.945  -4.254  -4.254
  438    HE   ARG  22           HE       ARG  22 -12.057  -5.916  -5.916
  439   1HH1  ARG  22          1HH1      ARG  22 -10.437  -4.870  -4.870
  440   2HH1  ARG  22          2HH1      ARG  22 -11.817  -5.152  -5.152
  441   1HH2  ARG  22          1HH2      ARG  22 -13.833  -6.271  -6.271
  442   2HH2  ARG  22          2HH2      ARG  22 -13.725  -5.938  -5.938
  443    H    GLN  23           H        GLN  23  -6.025  -4.715  -4.715
  444    HA   GLN  23           HA       GLN  23  -6.956  -7.036  -7.036
  445   1HB   GLN  23          2HB       GLN  23  -5.895  -4.751  -4.751
  446   2HB   GLN  23          1HB       GLN  23  -4.409  -5.697  -5.697
  447   1HG   GLN  23          2HG       GLN  23  -6.896  -6.741  -6.741
  448   2HG   GLN  23          1HG       GLN  23  -5.682  -5.791  -5.791
  449   1HE2  GLN  23          2HE2      GLN  23  -5.021  -9.675  -9.675
  450   2HE2  GLN  23          1HE2      GLN  23  -6.544  -8.935  -8.935
  451    H    ASN  24           H        ASN  24  -3.848  -6.136  -6.136
  452    HA   ASN  24           HA       ASN  24  -2.599  -8.650  -8.650
  453   1HB   ASN  24          2HB       ASN  24  -1.999  -6.250  -6.250
  454   2HB   ASN  24          1HB       ASN  24  -1.154  -7.753  -7.753
  455   1HD2  ASN  24          2HD2      ASN  24   0.690  -5.797  -5.797
  456   2HD2  ASN  24          1HD2      ASN  24   0.096  -5.354  -5.354
  457    H    ALA  25           H        ALA  25  -4.588  -7.361  -7.361
  458    HA   ALA  25           HA       ALA  25  -4.051  -9.319  -9.319
  459   1HB   ALA  25          2HB       ALA  25  -6.341  -7.448  -7.448
  460   2HB   ALA  25          1HB       ALA  25  -6.480  -8.684  -8.684
  461   3HB   ALA  25          3HB       ALA  25  -5.205  -7.470  -7.470
  462    H    LEU  26           H        LEU  26  -6.212  -9.246  -9.246
  463    HA   LEU  26           HA       LEU  26  -7.663 -11.621 -11.621
  464   1HB   LEU  26          2HB       LEU  26  -8.239  -9.658  -9.658
  465   2HB   LEU  26          1HB       LEU  26  -7.466 -10.762 -10.762
  466    HG   LEU  26           HG       LEU  26  -8.975 -12.585 -12.585
  467   1HD1  LEU  26          1HD1      LEU  26  -9.899 -10.284 -10.284
  468   2HD1  LEU  26          3HD1      LEU  26 -11.116 -11.428 -11.428
  469   3HD1  LEU  26          2HD1      LEU  26  -9.767 -11.991 -11.991
  470   1HD2  LEU  26          2HD2      LEU  26  -9.882 -10.131 -10.131
  471   2HD2  LEU  26          1HD2      LEU  26  -9.805 -11.798 -11.798
  472   3HD2  LEU  26          3HD2      LEU  26 -11.125 -11.286 -11.286
  473    H    LEU  27           H        LEU  27  -4.925 -10.872 -10.872
  474    HA   LEU  27           HA       LEU  27  -4.640 -13.424 -13.424
  475   1HB   LEU  27          2HB       LEU  27  -2.773 -11.116 -11.116
  476   2HB   LEU  27          1HB       LEU  27  -2.156 -12.645 -12.645
  477    HG   LEU  27           HG       LEU  27  -4.563 -11.301 -11.301
  478   1HD1  LEU  27          3HD1      LEU  27  -1.654 -10.677 -10.677
  479   2HD1  LEU  27          2HD1      LEU  27  -2.670 -10.654 -10.654
  480   3HD1  LEU  27          1HD1      LEU  27  -3.046  -9.597  -9.597
  481   1HD2  LEU  27          2HD2      LEU  27  -4.029 -13.711 -13.711
  482   2HD2  LEU  27          1HD2      LEU  27  -3.976 -12.679 -12.679
  483   3HD2  LEU  27          3HD2      LEU  27  -2.477 -13.188 -13.188
  484    H    GLU  28           H        GLU  28  -2.991 -11.963 -11.963
  485    HA   GLU  28           HA       GLU  28  -1.433 -14.186 -14.186
  486   1HB   GLU  28          2HB       GLU  28  -1.174 -11.876 -11.876
  487   2HB   GLU  28          1HB       GLU  28  -2.631 -12.143 -12.143
  488   1HG   GLU  28          2HG       GLU  28  -1.115 -12.865 -12.865
  489   2HG   GLU  28          1HG       GLU  28  -1.261 -14.375 -14.375
  490    H    GLN  29           H        GLN  29  -4.691 -13.221 -13.221
  491    HA   GLN  29           HA       GLN  29  -5.181 -15.201 -15.201
  492   1HB   GLN  29          2HB       GLN  29  -6.901 -13.553 -13.553
  493   2HB   GLN  29          1HB       GLN  29  -7.641 -14.938 -14.938
  494   1HG   GLN  29          2HG       GLN  29  -6.341 -13.926 -13.926
  495   2HG   GLN  29          1HG       GLN  29  -6.520 -12.436 -12.436
  496   1HE2  GLN  29          2HE2      GLN  29  -9.612 -13.473 -13.473
  497   2HE2  GLN  29          1HE2      GLN  29  -7.976 -13.753 -13.753
  498    H    GLN  30           H        GLN  30  -5.208 -15.369 -15.369
  499    HA   GLN  30           HA       GLN  30  -6.380 -18.041 -18.041
  500   1HB   GLN  30          2HB       GLN  30  -6.651 -16.128 -16.128
  501   2HB   GLN  30          1HB       GLN  30  -5.136 -16.790 -16.790
  502   1HG   GLN  30          2HG       GLN  30  -6.096 -18.938 -18.938
  503   2HG   GLN  30          1HG       GLN  30  -7.515 -18.547 -18.547
  504   1HE2  GLN  30          2HE2      GLN  30  -7.856 -17.991 -17.991
  505   2HE2  GLN  30          1HE2      GLN  30  -6.863 -19.130 -19.130
  506    H    VAL  31           H        VAL  31  -3.273 -16.456 -16.456
  507    HA   VAL  31           HA       VAL  31  -1.833 -18.743 -18.743
  508    HB   VAL  31           HB       VAL  31  -0.785 -16.306 -16.306
  509   1HG1  VAL  31          3HG1      VAL  31   0.484 -18.538 -18.538
  510   2HG1  VAL  31          2HG1      VAL  31   1.252 -16.951 -16.951
  511   3HG1  VAL  31          1HG1      VAL  31   0.970 -17.863 -17.863
  512   1HG2  VAL  31          3HG2      VAL  31  -2.131 -16.356 -16.356
  513   2HG2  VAL  31          2HG2      VAL  31  -0.993 -15.111 -15.111
  514   3HG2  VAL  31          1HG2      VAL  31  -0.439 -16.455 -16.455
  515    H    ARG  32           H        ARG  32  -2.658 -17.440 -17.440
  516    HA   ARG  32           HA       ARG  32  -0.878 -19.019 -19.019
  517   1HB   ARG  32          2HB       ARG  32  -3.347 -17.439 -17.439
  518   2HB   ARG  32          1HB       ARG  32  -2.843 -18.622 -18.622
  519   1HG   ARG  32          2HG       ARG  32  -0.531 -17.592 -17.592
  520   2HG   ARG  32          1HG       ARG  32  -1.221 -16.307 -16.307
  521   1HD   ARG  32          2HD       ARG  32  -1.178 -15.617 -15.617
  522   2HD   ARG  32          1HD       ARG  32  -2.840 -15.799 -15.799
  523    HE   ARG  32           HE       ARG  32  -1.796 -18.192 -18.192
  524   1HH1  ARG  32          1HH1      ARG  32  -3.276 -15.081 -15.081
  525   2HH1  ARG  32          2HH1      ARG  32  -3.939 -15.570 -15.570
  526   1HH2  ARG  32          1HH2      ARG  32  -2.681 -18.790 -18.790
  527   2HH2  ARG  32          2HH2      ARG  32  -3.607 -17.651 -17.651
  528    H    ALA  33           H        ALA  33  -4.165 -19.532 -19.532
  529    HA   ALA  33           HA       ALA  33  -4.719 -21.907 -21.907
  530   1HB   ALA  33          1HB       ALA  33  -6.305 -20.414 -20.414
  531   2HB   ALA  33          3HB       ALA  33  -5.769 -21.418 -21.418
  532   3HB   ALA  33          2HB       ALA  33  -6.582 -22.155 -22.155
  533    H    LEU  34           H        LEU  34  -3.325 -21.352 -21.352
  534    HA   LEU  34           HA       LEU  34  -2.968 -24.152 -24.152
  535   1HB   LEU  34          2HB       LEU  34  -2.133 -21.593 -21.593
  536   2HB   LEU  34          1HB       LEU  34  -1.349 -23.098 -23.098
  537    HG   LEU  34           HG       LEU  34  -3.293 -22.605 -22.605
  538   1HD1  LEU  34          1HD1      LEU  34  -2.622 -25.002 -25.002
  539   2HD1  LEU  34          3HD1      LEU  34  -4.277 -24.893 -24.893
  540   3HD1  LEU  34          2HD1      LEU  34  -3.960 -24.796 -24.796
  541   1HD2  LEU  34          2HD2      LEU  34  -4.486 -21.551 -21.551
  542   2HD2  LEU  34          1HD2      LEU  34  -5.411 -22.164 -22.164
  543   3HD2  LEU  34          3HD2      LEU  34  -5.195 -23.164 -23.164
  544   1HN   NH2  35          1HT       LEU  34  -1.521 -25.288 -25.288
  545   2HN   NH2  35          2HT       LEU  34   0.047 -24.762 -24.762

  Start of MODEL   35
    1   1H    ACE   2          1HA       ACE   2  -2.348  25.357  25.357
    2   2H    ACE   2          2HA       ACE   2  -2.565  24.703  24.703
    3   3H    ACE   2          3HA       ACE   2  -2.931  23.707  23.707
    4    H    CYS   3           H        CYS   3  -0.149  25.835  25.835
    5    HA   CYS   3           HA       CYS   3   1.616  23.500  23.500
    6   1HB   CYS   3          2HB       CYS   3   1.849  26.405  26.405
    7   2HB   CYS   3          1HB       CYS   3   3.321  25.486  25.486
    8    H    GLY   4           H        GLY   4   2.574  22.726  22.726
    9   1HA   GLY   4          2HA       GLY   4   3.929  24.408  24.408
   10   2HA   GLY   4          1HA       GLY   4   2.460  23.717  23.717
   11    H    GLY   5           H        GLY   5   2.345  21.525  21.525
   12   1HA   GLY   5          2HA       GLY   5   4.938  20.105  20.105
   13   2HA   GLY   5          1HA       GLY   5   3.657  19.803  19.803
   14    H    VAL   6           H        VAL   6   3.181  20.244  20.244
   15    HA   VAL   6           HA       VAL   6   1.696  17.785  17.785
   16    HB   VAL   6           HB       VAL   6   2.644  19.566  19.566
   17   1HG1  VAL   6          1HG1      VAL   6   0.669  17.325  17.325
   18   2HG1  VAL   6          3HG1      VAL   6   0.344  18.602  18.602
   19   3HG1  VAL   6          2HG1      VAL   6   1.813  17.635  17.635
   20   1HG2  VAL   6          2HG2      VAL   6   0.342  19.783  19.783
   21   2HG2  VAL   6          1HG2      VAL   6   1.415  21.051  21.051
   22   3HG2  VAL   6          3HG2      VAL   6   0.167  20.386  20.386
   23    H    GLN   7           H        GLN   7   4.876  18.927  18.927
   24    HA   GLN   7           HA       GLN   7   5.611  16.709  16.709
   25   1HB   GLN   7          2HB       GLN   7   7.135  18.824  18.824
   26   2HB   GLN   7          1HB       GLN   7   8.002  17.450  17.450
   27   1HG   GLN   7          2HG       GLN   7   7.577  18.087  18.087
   28   2HG   GLN   7          1HG       GLN   7   6.007  18.784  18.784
   29   1HE2  GLN   7          2HE2      GLN   7   7.439  21.944  21.944
   30   2HE2  GLN   7          1HE2      GLN   7   6.181  20.872  20.872
   31    H    ALA   8           H        ALA   8   5.918  17.354  17.354
   32    HA   ALA   8           HA       ALA   8   7.448  15.053  15.053
   33   1HB   ALA   8          1HB       ALA   8   5.529  16.655  16.655
   34   2HB   ALA   8          3HB       ALA   8   6.654  15.443  15.443
   35   3HB   ALA   8          2HB       ALA   8   7.268  16.914  16.914
   36    H    GLU   9           H        GLU   9   3.951  15.698  15.698
   37    HA   GLU   9           HA       GLU   9   3.207  13.117  13.117
   38   1HB   GLU   9          2HB       GLU   9   1.702  15.294  15.294
   39   2HB   GLU   9          1HB       GLU   9   0.943  13.763  13.763
   40   1HG   GLU   9          2HG       GLU   9   2.001  14.298  14.298
   41   2HG   GLU   9          1HG       GLU   9   1.944  15.957  15.957
   42    H    GLU  10           H        GLU  10   3.785  14.474  14.474
   43    HA   GLU  10           HA       GLU  10   2.712  12.214  12.214
   44   1HB   GLU  10          2HB       GLU  10   3.144  14.724  14.724
   45   2HB   GLU  10          1HB       GLU  10   4.695  14.045  14.045
   46   1HG   GLU  10          2HG       GLU  10   3.518  13.545  13.545
   47   2HG   GLU  10          1HG       GLU  10   3.062  12.128  12.128
   48    H    GLN  11           H        GLN  11   5.845  13.216  13.216
   49    HA   GLN  11           HA       GLN  11   7.475  11.435  11.435
   50   1HB   GLN  11          2HB       GLN  11   7.743  12.960  12.960
   51   2HB   GLN  11          1HB       GLN  11   8.868  11.626  11.626
   52   1HG   GLN  11          2HG       GLN  11   9.367  12.611  12.611
   53   2HG   GLN  11          1HG       GLN  11   8.405  14.014  14.014
   54   1HE2  GLN  11          2HE2      GLN  11  12.124  13.495  13.495
   55   2HE2  GLN  11          1HE2      GLN  11  11.413  12.262  12.262
   56    H    LYS  12           H        LYS  12   5.512  11.025  11.025
   57    HA   LYS  12           HA       LYS  12   6.547   8.337   8.337
   58   1HB   LYS  12          2HB       LYS  12   4.757  10.225  10.225
   59   2HB   LYS  12          1HB       LYS  12   4.526   8.500   8.500
   60   1HG   LYS  12          2HG       LYS  12   6.559   8.257   8.257
   61   2HG   LYS  12          1HG       LYS  12   7.334   9.480   9.480
   62   1HD   LYS  12          2HD       LYS  12   5.211  10.422  10.422
   63   2HD   LYS  12          1HD       LYS  12   6.744   9.925   9.925
   64   1HE   LYS  12          2HE       LYS  12   6.881  11.677  11.677
   65   2HE   LYS  12          1HE       LYS  12   6.342  12.421  12.421
   66   1HZ   LYS  12          2HZ       LYS  12   8.774  10.743  10.743
   67   2HZ   LYS  12          1HZ       LYS  12   8.817  12.413  12.413
   68   3HZ   LYS  12          3HZ       LYS  12   8.322  11.846  11.846
   69    H    LEU  13           H        LEU  13   3.575   9.926   9.926
   70    HA   LEU  13           HA       LEU  13   1.927   7.654   7.654
   71   1HB   LEU  13          2HB       LEU  13   1.941  10.348  10.348
   72   2HB   LEU  13          1HB       LEU  13   0.902   9.104   9.104
   73    HG   LEU  13           HG       LEU  13   0.918   9.733   9.733
   74   1HD1  LEU  13          2HD1      LEU  13  -0.540  11.039  11.039
   75   2HD1  LEU  13          1HD1      LEU  13  -1.346  10.874  10.874
   76   3HD1  LEU  13          3HD1      LEU  13   0.164  11.776  11.776
   77   1HD2  LEU  13          1HD2      LEU  13  -0.070   7.575   7.575
   78   2HD2  LEU  13          3HD2      LEU  13  -0.873   8.290   8.290
   79   3HD2  LEU  13          2HD2      LEU  13  -1.432   8.670   8.670
   80    H    ILE  14           H        ILE  14   4.216   9.055   9.055
   81    HA   ILE  14           HA       ILE  14   3.591   7.181   7.181
   82    HB   ILE  14           HB       ILE  14   5.999   8.993   8.993
   83   1HG1  ILE  14          2HG1      ILE  14   3.568   9.447   9.447
   84   2HG1  ILE  14          1HG1      ILE  14   3.643  10.034  10.034
   85   1HG2  ILE  14          2HG2      ILE  14   4.960   7.281   7.281
   86   2HG2  ILE  14          1HG2      ILE  14   5.900   8.733   8.733
   87   3HG2  ILE  14          3HG2      ILE  14   6.609   7.426   7.426
   88   1HD1  ILE  14          1HD1      ILE  14   5.738  11.252  11.252
   89   2HD1  ILE  14          3HD1      ILE  14   5.597  10.709  10.709
   90   3HD1  ILE  14          2HD1      ILE  14   4.383  11.792  11.792
   91    H    SER  15           H        SER  15   6.266   7.589   7.589
   92    HA   SER  15           HA       SER  15   7.816   5.407   5.407
   93   1HB   SER  15          2HB       SER  15   8.753   7.019   7.019
   94   2HB   SER  15          1HB       SER  15   7.518   6.670   6.670
   95    HG   SER  15           HG       SER  15   8.764   5.127   5.127
   96    H    GLU  16           H        GLU  16   5.314   5.587   5.587
   97    HA   GLU  16           HA       GLU  16   5.474   2.860   2.860
   98   1HB   GLU  16          2HB       GLU  16   3.497   5.062   5.062
   99   2HB   GLU  16          1HB       GLU  16   2.977   3.406   3.406
  100   1HG   GLU  16          2HG       GLU  16   3.862   3.840   3.840
  101   2HG   GLU  16          1HG       GLU  16   5.361   3.365   3.365
  102    H    GLU  17           H        GLU  17   3.698   4.564   4.564
  103    HA   GLU  17           HA       GLU  17   1.950   2.395   2.395
  104   1HB   GLU  17          2HB       GLU  17   1.521   4.807   4.807
  105   2HB   GLU  17          1HB       GLU  17   2.800   4.685   4.685
  106   1HG   GLU  17          2HG       GLU  17   1.534   2.693   2.693
  107   2HG   GLU  17          1HG       GLU  17   0.194   3.150   3.150
  108    H    ASP  18           H        ASP  18   5.067   3.553   3.553
  109    HA   ASP  18           HA       ASP  18   5.286   1.840   1.840
  110   1HB   ASP  18          2HB       ASP  18   6.769   3.857   3.857
  111   2HB   ASP  18          1HB       ASP  18   7.663   2.682   2.682
  112    H    LEU  19           H        LEU  19   6.243   1.450   1.450
  113    HA   LEU  19           HA       LEU  19   7.574  -1.024  -1.024
  114   1HB   LEU  19          2HB       LEU  19   7.377   0.623   0.623
  115   2HB   LEU  19          1HB       LEU  19   5.993  -0.389  -0.389
  116    HG   LEU  19           HG       LEU  19   8.505  -1.791  -1.791
  117   1HD1  LEU  19          1HD1      LEU  19   8.116  -0.336  -0.336
  118   2HD1  LEU  19          3HD1      LEU  19   9.332  -1.583  -1.583
  119   3HD1  LEU  19          2HD1      LEU  19   9.405  -0.070  -0.070
  120   1HD2  LEU  19          1HD2      LEU  19   6.101  -2.629  -2.629
  121   2HD2  LEU  19          3HD2      LEU  19   7.588  -3.499  -3.499
  122   3HD2  LEU  19          2HD2      LEU  19   6.888  -2.397  -2.397
  123    H    LEU  20           H        LEU  20   4.211  -0.275  -0.275
  124    HA   LEU  20           HA       LEU  20   3.352  -2.967  -2.967
  125   1HB   LEU  20          2HB       LEU  20   2.027  -0.311  -0.311
  126   2HB   LEU  20          1HB       LEU  20   1.054  -1.722  -1.722
  127    HG   LEU  20           HG       LEU  20   2.691  -1.595  -1.595
  128   1HD1  LEU  20          3HD1      LEU  20   0.845   0.249   0.249
  129   2HD1  LEU  20          2HD1      LEU  20  -0.268  -1.087  -1.087
  130   3HD1  LEU  20          1HD1      LEU  20   0.915  -0.636  -0.636
  131   1HD2  LEU  20          1HD2      LEU  20   0.365  -3.271  -3.271
  132   2HD2  LEU  20          3HD2      LEU  20   2.002  -3.823  -3.823
  133   3HD2  LEU  20          2HD2      LEU  20   0.943  -3.297  -3.297
  134    H    ARG  21           H        ARG  21   3.644  -0.742  -0.742
  135    HA   ARG  21           HA       ARG  21   2.056  -2.104  -2.104
  136   1HB   ARG  21          2HB       ARG  21   4.302  -0.143  -0.143
  137   2HB   ARG  21          1HB       ARG  21   3.877  -1.021  -1.021
  138   1HG   ARG  21          2HG       ARG  21   1.784  -0.054  -0.054
  139   2HG   ARG  21          1HG       ARG  21   1.653   0.166   0.166
  140   1HD   ARG  21          2HD       ARG  21   1.944   2.333   2.333
  141   2HD   ARG  21          1HD       ARG  21   3.323   1.974   1.974
  142    HE   ARG  21           HE       ARG  21   4.029   1.009   1.009
  143   1HH1  ARG  21          1HH1      ARG  21   3.018   4.103   4.103
  144   2HH1  ARG  21          2HH1      ARG  21   3.916   5.011   5.011
  145   1HH2  ARG  21          1HH2      ARG  21   5.186   2.232   2.232
  146   2HH2  ARG  21          2HH2      ARG  21   5.134   3.963   3.963
  147    H    LYS  22           H        LYS  22   5.409  -2.508  -2.508
  148    HA   LYS  22           HA       LYS  22   6.098  -4.413  -4.413
  149   1HB   LYS  22          2HB       LYS  22   7.339  -3.511  -3.511
  150   2HB   LYS  22          1HB       LYS  22   7.942  -4.965  -4.965
  151   1HG   LYS  22          2HG       LYS  22   7.919  -3.417  -3.417
  152   2HG   LYS  22          1HG       LYS  22   8.006  -2.124  -2.124
  153   1HD   LYS  22          2HD       LYS  22  10.053  -2.954  -2.954
  154   2HD   LYS  22          1HD       LYS  22   9.887  -4.490  -4.490
  155   1HE   LYS  22          2HE       LYS  22   9.936  -3.073  -3.073
  156   2HE   LYS  22          1HE       LYS  22  10.564  -1.781  -1.781
  157   1HZ   LYS  22          3HZ       LYS  22  12.255  -3.463  -3.463
  158   2HZ   LYS  22          2HZ       LYS  22  11.754  -4.440  -4.440
  159   3HZ   LYS  22          1HZ       LYS  22  12.430  -2.910  -2.910
  160    H    ARG  23           H        ARG  23   4.612  -4.590  -4.590
  161    HA   ARG  23           HA       ARG  23   4.951  -7.443  -7.443
  162   1HB   ARG  23          2HB       ARG  23   4.345  -5.404  -5.404
  163   2HB   ARG  23          1HB       ARG  23   2.785  -6.199  -6.199
  164   1HG   ARG  23          2HG       ARG  23   5.374  -7.620  -7.620
  165   2HG   ARG  23          1HG       ARG  23   4.125  -7.182  -7.182
  166   1HD   ARG  23          2HD       ARG  23   3.261  -9.228  -9.228
  167   2HD   ARG  23          1HD       ARG  23   2.666  -8.498  -8.498
  168    HE   ARG  23           HE       ARG  23   4.147  -9.851  -9.851
  169   1HH1  ARG  23          1HH1      ARG  23   5.332  -9.382  -9.382
  170   2HH1  ARG  23          2HH1      ARG  23   6.691 -10.428 -10.428
  171   1HH2  ARG  23          1HH2      ARG  23   5.931 -11.209 -11.209
  172   2HH2  ARG  23          2HH2      ARG  23   7.027 -11.456 -11.456
  173    H    ARG  24           H        ARG  24   2.504  -5.252  -5.252
  174    HA   ARG  24           HA       ARG  24   0.426  -7.225  -7.225
  175   1HB   ARG  24          2HB       ARG  24   0.022  -4.744  -4.744
  176   2HB   ARG  24          1HB       ARG  24   0.666  -4.631  -4.631
  177   1HG   ARG  24          2HG       ARG  24  -1.098  -5.921  -5.921
  178   2HG   ARG  24          1HG       ARG  24  -1.574  -6.538  -6.538
  179   1HD   ARG  24          2HD       ARG  24  -2.746  -4.647  -4.647
  180   2HD   ARG  24          1HD       ARG  24  -1.643  -3.587  -3.587
  181    HE   ARG  24           HE       ARG  24  -4.042  -4.790  -4.790
  182   1HH1  ARG  24          1HH1      ARG  24  -0.861  -3.598  -3.598
  183   2HH1  ARG  24          2HH1      ARG  24  -1.296  -3.258  -3.258
  184   1HH2  ARG  24          1HH2      ARG  24  -4.570  -4.331  -4.331
  185   2HH2  ARG  24          2HH2      ARG  24  -3.378  -3.668  -3.668
  186    H    GLU  25           H        GLU  25   2.628  -5.689  -5.689
  187    HA   GLU  25           HA       GLU  25   1.768  -7.090  -7.090
  188   1HB   GLU  25          2HB       GLU  25   4.026  -6.551  -6.551
  189   2HB   GLU  25          1HB       GLU  25   3.201  -5.157  -5.157
  190   1HG   GLU  25          2HG       GLU  25   5.123  -4.836  -4.836
  191   2HG   GLU  25          1HG       GLU  25   4.549  -6.152  -6.152
  192    H    GLN  26           H        GLN  26   3.941  -7.989  -7.989
  193    HA   GLN  26           HA       GLN  26   5.137 -10.233 -10.233
  194   1HB   GLN  26          2HB       GLN  26   5.845  -8.993  -8.993
  195   2HB   GLN  26          1HB       GLN  26   4.709 -10.090 -10.090
  196   1HG   GLN  26          2HG       GLN  26   6.003 -11.941 -11.941
  197   2HG   GLN  26          1HG       GLN  26   6.606 -11.317 -11.317
  198   1HE2  GLN  26          2HE2      GLN  26   9.652 -10.591 -10.591
  199   2HE2  GLN  26          1HE2      GLN  26   8.863 -11.393 -11.393
  200    H    LEU  27           H        LEU  27   2.359  -9.867  -9.867
  201    HA   LEU  27           HA       LEU  27   1.707 -12.616 -12.616
  202   1HB   LEU  27          2HB       LEU  27  -0.152 -10.234 -10.234
  203   2HB   LEU  27          1HB       LEU  27  -0.475 -11.865 -11.865
  204    HG   LEU  27           HG       LEU  27   2.018 -10.472 -10.472
  205   1HD1  LEU  27          1HD1      LEU  27  -0.808  -9.850  -9.850
  206   2HD1  LEU  27          3HD1      LEU  27   0.506  -9.729  -9.729
  207   3HD1  LEU  27          2HD1      LEU  27   0.531  -8.740  -8.740
  208   1HD2  LEU  27          1HD2      LEU  27   0.137 -12.602 -12.602
  209   2HD2  LEU  27          3HD2      LEU  27   1.884 -12.686 -12.686
  210   3HD2  LEU  27          2HD2      LEU  27   1.211 -11.770 -11.770
  211    H    LYS  28           H        LYS  28   0.674 -10.044 -10.044
  212    HA   LYS  28           HA       LYS  28  -1.285 -11.513 -11.513
  213   1HB   LYS  28          2HB       LYS  28  -0.642  -8.957  -8.957
  214   2HB   LYS  28          1HB       LYS  28   0.392  -9.475  -9.475
  215   1HG   LYS  28          2HG       LYS  28  -1.718 -10.694 -10.694
  216   2HG   LYS  28          1HG       LYS  28  -2.608  -9.657  -9.657
  217   1HD   LYS  28          2HD       LYS  28  -1.215  -7.727  -7.727
  218   2HD   LYS  28          1HD       LYS  28  -0.980  -8.882  -8.882
  219   1HE   LYS  28          2HE       LYS  28  -3.252  -8.950  -8.950
  220   2HE   LYS  28          1HE       LYS  28  -3.745  -8.416  -8.416
  221   1HZ   LYS  28          3HZ       LYS  28  -2.156  -6.634  -6.634
  222   2HZ   LYS  28          2HZ       LYS  28  -3.833  -6.766  -6.766
  223   3HZ   LYS  28          1HZ       LYS  28  -3.224  -6.238  -6.238
  224    H    HIS  29           H        HIS  29   2.205 -11.251 -11.251
  225    HA   HIS  29           HA       HIS  29   2.453 -12.519 -12.519
  226   1HB   HIS  29          2HB       HIS  29   4.301 -12.132 -12.132
  227   2HB   HIS  29          1HB       HIS  29   4.782 -13.167 -13.167
  228    HD1  HIS  29           HD1      HIS  29   3.604 -11.613 -11.613
  229    HD2  HIS  29           HD2      HIS  29   5.674  -9.786  -9.786
  230    HE1  HIS  29           HE1      HIS  29   4.457  -9.405  -9.405
  231    H    LYS  30           H        LYS  30   2.148 -13.761 -13.761
  232    HA   LYS  30           HA       LYS  30   2.833 -16.460 -16.460
  233   1HB   LYS  30          2HB       LYS  30   1.429 -15.021 -15.021
  234   2HB   LYS  30          1HB       LYS  30   1.181 -16.764 -16.764
  235   1HG   LYS  30          2HG       LYS  30   3.838 -16.730 -16.730
  236   2HG   LYS  30          1HG       LYS  30   3.672 -15.241 -15.241
  237   1HD   LYS  30          2HD       LYS  30   2.906 -16.335 -16.335
  238   2HD   LYS  30          1HD       LYS  30   2.187 -17.652 -17.652
  239   1HE   LYS  30          2HE       LYS  30   4.781 -18.050 -18.050
  240   2HE   LYS  30          1HE       LYS  30   4.977 -17.325 -17.325
  241   1HZ   LYS  30          2HZ       LYS  30   3.161 -19.598 -19.598
  242   2HZ   LYS  30          1HZ       LYS  30   4.738 -19.774 -19.774
  243   3HZ   LYS  30          3HZ       LYS  30   3.559 -18.970 -18.970
  244    H    LEU  31           H        LEU  31  -0.293 -14.773 -14.773
  245    HA   LEU  31           HA       LEU  31  -1.839 -17.071 -17.071
  246   1HB   LEU  31          2HB       LEU  31  -2.399 -14.115 -14.115
  247   2HB   LEU  31          1HB       LEU  31  -3.579 -15.224 -15.224
  248    HG   LEU  31           HG       LEU  31  -4.025 -14.828 -14.828
  249   1HD1  LEU  31          3HD1      LEU  31  -4.138 -17.191 -17.191
  250   2HD1  LEU  31          2HD1      LEU  31  -2.997 -17.621 -17.621
  251   3HD1  LEU  31          1HD1      LEU  31  -4.599 -17.009 -17.009
  252   1HD2  LEU  31          2HD2      LEU  31  -1.606 -14.432 -14.432
  253   2HD2  LEU  31          1HD2      LEU  31  -2.454 -15.514 -15.514
  254   3HD2  LEU  31          3HD2      LEU  31  -1.354 -16.174 -16.174
  255    H    GLU  32           H        GLU  32  -0.289 -14.480 -14.480
  256    HA   GLU  32           HA       GLU  32  -1.563 -14.877 -14.877
  257   1HB   GLU  32          2HB       GLU  32   0.151 -13.021 -13.021
  258   2HB   GLU  32          1HB       GLU  32   1.300 -14.060 -14.060
  259   1HG   GLU  32          2HG       GLU  32  -1.216 -13.475 -13.475
  260   2HG   GLU  32          1HG       GLU  32  -0.127 -12.105 -12.105
  261    H    GLN  33           H        GLN  33   1.179 -16.423 -16.423
  262    HA   GLN  33           HA       GLN  33   2.216 -17.807 -17.807
  263   1HB   GLN  33          2HB       GLN  33   3.035 -17.559 -17.559
  264   2HB   GLN  33          1HB       GLN  33   2.284 -19.152 -19.152
  265   1HG   GLN  33          2HG       GLN  33   4.364 -19.817 -19.817
  266   2HG   GLN  33          1HG       GLN  33   3.643 -19.493 -19.493
  267   1HE2  GLN  33          2HE2      GLN  33   5.973 -16.974 -16.974
  268   2HE2  GLN  33          1HE2      GLN  33   4.864 -18.126 -18.126
  269    H    LEU  34           H        LEU  34  -0.015 -18.927 -18.927
  270    HA   LEU  34           HA       LEU  34  -0.841 -21.129 -21.129
  271   1HB   LEU  34          2HB       LEU  34  -0.738 -20.816 -20.816
  272   2HB   LEU  34          1HB       LEU  34  -1.954 -21.882 -21.882
  273    HG   LEU  34           HG       LEU  34   0.112 -23.119 -23.119
  274   1HD1  LEU  34          2HD1      LEU  34  -1.369 -23.397 -23.397
  275   2HD1  LEU  34          1HD1      LEU  34   0.197 -23.065 -23.065
  276   3HD1  LEU  34          3HD1      LEU  34   0.013 -24.433 -24.433
  277   1HD2  LEU  34          3HD2      LEU  34   1.638 -21.137 -21.137
  278   2HD2  LEU  34          2HD2      LEU  34   2.206 -22.649 -22.649
  279   3HD2  LEU  34          1HD2      LEU  34   1.454 -21.425 -21.425
  280   1HN   NH2  35          1HT       LEU  34  -1.887 -18.404 -18.404
  281   2HN   NH2  35          2HT       LEU  34  -3.552 -18.483 -18.483
  282   1H    ACE   2          1HA       ACE   2  -4.441  23.416  23.416
  283   2H    ACE   2          2HA       ACE   2  -4.541  22.122  22.122
  284   3H    ACE   2          3HA       ACE   2  -5.163  23.727  23.727
  285    H    CYS   3           H        CYS   3  -2.670  21.688  21.688
  286    HA   CYS   3           HA       CYS   3  -0.976  23.823  23.823
  287   1HB   CYS   3          2HB       CYS   3  -0.212  22.129  22.129
  288   2HB   CYS   3          1HB       CYS   3   1.030  22.540  22.540
  289    H    GLY   4           H        GLY   4  -1.629  22.812  22.812
  290   1HA   GLY   4          2HA       GLY   4  -1.278  21.437  21.437
  291   2HA   GLY   4          1HA       GLY   4   0.237  20.976  20.976
  292    H    GLY   5           H        GLY   5  -3.098  20.541  20.541
  293   1HA   GLY   5          2HA       GLY   5  -4.367  18.589  18.589
  294   2HA   GLY   5          1HA       GLY   5  -3.037  17.680  17.680
  295    H    MET   6           H        MET   6  -3.807  19.530  19.530
  296    HA   MET   6           HA       MET   6  -1.880  18.089  18.089
  297   1HB   MET   6          2HB       MET   6  -2.586  20.462  20.462
  298   2HB   MET   6          1HB       MET   6  -4.149  19.833  19.833
  299   1HG   MET   6          2HG       MET   6  -2.661  18.258  18.258
  300   2HG   MET   6          1HG       MET   6  -1.459  19.530  19.530
  301   1HE   MET   6          3HE       MET   6  -1.702  19.107  19.107
  302   2HE   MET   6          2HE       MET   6  -1.368  20.837  20.837
  303   3HE   MET   6          1HE       MET   6  -2.634  20.196  20.196
  304    H    ARG   7           H        ARG   7  -5.441  18.263  18.263
  305    HA   ARG   7           HA       ARG   7  -5.691  16.003  16.003
  306   1HB   ARG   7          2HB       ARG   7  -7.609  17.778  17.778
  307   2HB   ARG   7          1HB       ARG   7  -8.177  16.247  16.247
  308   1HG   ARG   7          2HG       ARG   7  -6.817  17.140  17.140
  309   2HG   ARG   7          1HG       ARG   7  -7.233  18.694  18.694
  310   1HD   ARG   7          2HD       ARG   7  -9.629  17.706  17.706
  311   2HD   ARG   7          1HD       ARG   7  -9.076  16.528  16.528
  312    HE   ARG   7           HE       ARG   7  -8.521  19.234  19.234
  313   1HH1  ARG   7          1HH1      ARG   7 -10.997  16.763  16.763
  314   2HH1  ARG   7          2HH1      ARG   7 -11.880  17.416  17.416
  315   1HH2  ARG   7          1HH2      ARG   7  -9.705  20.052  20.052
  316   2HH2  ARG   7          2HH2      ARG   7 -11.157  19.262  19.262
  317    H    ARG   8           H        ARG   8  -5.875  16.598  16.598
  318    HA   ARG   8           HA       ARG   8  -7.056  14.166  14.166
  319   1HB   ARG   8          2HB       ARG   8  -6.683  16.181  16.181
  320   2HB   ARG   8          1HB       ARG   8  -4.981  15.725  15.725
  321   1HG   ARG   8          2HG       ARG   8  -5.905  13.383  13.383
  322   2HG   ARG   8          1HG       ARG   8  -7.380  14.273  14.273
  323   1HD   ARG   8          2HD       ARG   8  -6.224  14.384  14.384
  324   2HD   ARG   8          1HD       ARG   8  -5.760  15.900  15.900
  325    HE   ARG   8           HE       ARG   8  -3.934  13.775  13.775
  326   1HH1  ARG   8          1HH1      ARG   8  -4.810  16.114  16.114
  327   2HH1  ARG   8          2HH1      ARG   8  -3.221  16.165  16.165
  328   1HH2  ARG   8          1HH2      ARG   8  -1.876  13.870  13.870
  329   2HH2  ARG   8          2HH2      ARG   8  -1.572  14.905  14.905
  330    H    LYS   9           H        LYS   9  -3.713  15.056  15.056
  331    HA   LYS   9           HA       LYS   9  -2.670  12.483  12.483
  332   1HB   LYS   9          2HB       LYS   9  -1.514  14.980  14.980
  333   2HB   LYS   9          1HB       LYS   9  -0.602  13.478  13.478
  334   1HG   LYS   9          2HG       LYS   9  -0.730  13.153  13.153
  335   2HG   LYS   9          1HG       LYS   9  -1.663  14.643  14.643
  336   1HD   LYS   9          2HD       LYS   9   0.165  15.984  15.984
  337   2HD   LYS   9          1HD       LYS   9   0.913  14.863  14.863
  338   1HE   LYS   9          2HE       LYS   9   1.197  13.332  13.332
  339   2HE   LYS   9          1HE       LYS   9   0.996  14.841  14.841
  340   1HZ   LYS   9          2HZ       LYS   9   2.943  14.509  14.509
  341   2HZ   LYS   9          1HZ       LYS   9   3.339  14.247  14.247
  342   3HZ   LYS   9          3HZ       LYS   9   2.847  15.786  15.786
  343    H    ASN  10           H        ASN  10  -3.138  14.202  14.202
  344    HA   ASN  10           HA       ASN  10  -2.195  12.150  12.150
  345   1HB   ASN  10          2HB       ASN  10  -3.962  14.534  14.534
  346   2HB   ASN  10          1HB       ASN  10  -3.889  13.326  13.326
  347   1HD2  ASN  10          2HD2      ASN  10  -0.730  15.799  15.799
  348   2HD2  ASN  10          1HD2      ASN  10  -2.109  15.876  15.876
  349    H    ASP  11           H        ASP  11  -5.433  12.879  12.879
  350    HA   ASP  11           HA       ASP  11  -6.833  10.902  10.902
  351   1HB   ASP  11          2HB       ASP  11  -7.886  12.788  12.788
  352   2HB   ASP  11          1HB       ASP  11  -7.516  11.908  11.908
  353    H    THR  12           H        THR  12  -5.375  10.849  10.849
  354    HA   THR  12           HA       THR  12  -6.119   8.206   8.206
  355    HB   THR  12           HB       THR  12  -4.213   8.329   8.329
  356    HG1  THR  12           HG1      THR  12  -2.734   9.580   9.580
  357   1HG2  THR  12          2HG2      THR  12  -6.355  10.394  10.394
  358   2HG2  THR  12          1HG2      THR  12  -5.149  10.606  10.606
  359   3HG2  THR  12          3HG2      THR  12  -6.140   9.148   9.148
  360    H    HIS  13           H        HIS  13  -3.452   9.533   9.533
  361    HA   HIS  13           HA       HIS  13  -1.885   7.147   7.147
  362   1HB   HIS  13          2HB       HIS  13  -1.945   9.659   9.659
  363   2HB   HIS  13          1HB       HIS  13  -0.885   8.309   8.309
  364    HD1  HIS  13           HD1      HIS  13   0.191   7.395   7.395
  365    HD2  HIS  13           HD2      HIS  13  -0.374  11.443  11.443
  366    HE1  HIS  13           HE1      HIS  13   1.706   8.663   8.663
  367    H    GLN  14           H        GLN  14  -4.375   8.557   8.557
  368    HA   GLN  14           HA       GLN  14  -4.168   6.714   6.714
  369   1HB   GLN  14          2HB       GLN  14  -5.525   8.989   8.989
  370   2HB   GLN  14          1HB       GLN  14  -6.823   7.876   7.876
  371   1HG   GLN  14          2HG       GLN  14  -6.608   6.693   6.693
  372   2HG   GLN  14          1HG       GLN  14  -5.144   7.586   7.586
  373   1HE2  GLN  14          2HE2      GLN  14  -8.376   9.099   9.099
  374   2HE2  GLN  14          1HE2      GLN  14  -7.941   7.467   7.467
  375    H    GLN  15           H        GLN  15  -6.329   6.820   6.820
  376    HA   GLN  15           HA       GLN  15  -7.730   4.436   4.436
  377   1HB   GLN  15          2HB       GLN  15  -7.145   5.674   5.674
  378   2HB   GLN  15          1HB       GLN  15  -8.392   4.472   4.472
  379   1HG   GLN  15          2HG       GLN  15  -8.356   6.987   6.987
  380   2HG   GLN  15          1HG       GLN  15  -8.981   7.060   7.060
  381   1HE2  GLN  15          2HE2      GLN  15 -11.135   5.179   5.179
  382   2HE2  GLN  15          1HE2      GLN  15  -9.589   5.797   5.797
  383    H    ASP  16           H        ASP  16  -4.863   5.054   5.054
  384    HA   ASP  16           HA       ASP  16  -4.492   2.434   2.434
  385   1HB   ASP  16          2HB       ASP  16  -3.269   4.681   4.681
  386   2HB   ASP  16          1HB       ASP  16  -2.133   4.167   4.167
  387    H    ILE  17           H        ILE  17  -3.323   4.040   4.040
  388    HA   ILE  17           HA       ILE  17  -1.675   1.951   1.951
  389    HB   ILE  17           HB       ILE  17  -3.086   4.270   4.270
  390   1HG1  ILE  17          2HG1      ILE  17  -1.034   4.678   4.678
  391   2HG1  ILE  17          1HG1      ILE  17  -0.774   5.011   5.011
  392   1HG2  ILE  17          1HG2      ILE  17  -1.787   1.939   1.939
  393   2HG2  ILE  17          3HG2      ILE  17  -1.586   3.554   3.554
  394   3HG2  ILE  17          2HG2      ILE  17  -3.201   2.875   2.875
  395   1HD1  ILE  17          2HD1      ILE  17   0.082   2.566   2.566
  396   2HD1  ILE  17          1HD1      ILE  17   0.188   2.655   2.655
  397   3HD1  ILE  17          3HD1      ILE  17   1.131   3.761   3.761
  398    H    ASP  18           H        ASP  18  -4.715   2.899   2.899
  399    HA   ASP  18           HA       ASP  18  -5.199   0.661   0.661
  400   1HB   ASP  18          2HB       ASP  18  -6.918   2.770   2.770
  401   2HB   ASP  18          1HB       ASP  18  -7.755   1.301   1.301
  402    H    ASP  19           H        ASP  19  -5.754   1.061   1.061
  403    HA   ASP  19           HA       ASP  19  -7.344  -1.301  -1.301
  404   1HB   ASP  19          2HB       ASP  19  -7.281   0.611   0.611
  405   2HB   ASP  19          1HB       ASP  19  -5.656   0.100   0.100
  406    H    LEU  20           H        LEU  20  -3.907  -0.539  -0.539
  407    HA   LEU  20           HA       LEU  20  -3.027  -3.004  -3.004
  408   1HB   LEU  20          2HB       LEU  20  -1.656  -0.929  -0.929
  409   2HB   LEU  20          1HB       LEU  20  -0.828  -2.370  -2.370
  410    HG   LEU  20           HG       LEU  20  -2.356  -0.733  -0.733
  411   1HD1  LEU  20          1HD1      LEU  20  -1.061   0.924   0.924
  412   2HD1  LEU  20          3HD1      LEU  20   0.406  -0.009  -0.009
  413   3HD1  LEU  20          2HD1      LEU  20  -0.436   0.761   0.761
  414   1HD2  LEU  20          2HD2      LEU  20  -0.971  -2.977  -2.977
  415   2HD2  LEU  20          1HD2      LEU  20  -0.903  -1.724  -1.724
  416   3HD2  LEU  20          3HD2      LEU  20   0.399  -1.869  -1.869
  417    H    LYS  21           H        LYS  21  -3.276  -1.842  -1.842
  418    HA   LYS  21           HA       LYS  21  -2.353  -4.229  -4.229
  419   1HB   LYS  21          2HB       LYS  21  -3.982  -1.896  -1.896
  420   2HB   LYS  21          1HB       LYS  21  -3.634  -3.279  -3.279
  421   1HG   LYS  21          2HG       LYS  21  -1.154  -2.852  -2.852
  422   2HG   LYS  21          1HG       LYS  21  -1.777  -1.211  -1.211
  423   1HD   LYS  21          2HD       LYS  21  -1.090  -1.077  -1.077
  424   2HD   LYS  21          1HD       LYS  21  -2.706  -1.733  -1.733
  425   1HE   LYS  21          2HE       LYS  21  -1.917  -3.844  -3.844
  426   2HE   LYS  21          1HE       LYS  21  -0.490  -3.667  -3.667
  427   1HZ   LYS  21          2HZ       LYS  21  -0.941  -2.289  -2.289
  428   2HZ   LYS  21          1HZ       LYS  21   0.081  -3.625  -3.625
  429   3HZ   LYS  21          3HZ       LYS  21   0.440  -2.139  -2.139
  430    H    ARG  22           H        ARG  22  -5.496  -3.167  -3.167
  431    HA   ARG  22           HA       ARG  22  -6.948  -5.292  -5.292
  432   1HB   ARG  22          2HB       ARG  22  -7.810  -2.949  -2.949
  433   2HB   ARG  22          1HB       ARG  22  -8.032  -3.794  -3.794
  434   1HG   ARG  22          2HG       ARG  22 -10.075  -4.253  -4.253
  435   2HG   ARG  22          1HG       ARG  22  -9.153  -5.618  -5.618
  436   1HD   ARG  22          2HD       ARG  22  -9.012  -4.729  -4.729
  437   2HD   ARG  22          1HD       ARG  22  -9.096  -3.067  -3.067
  438    HE   ARG  22           HE       ARG  22 -11.404  -3.177  -3.177
  439   1HH1  ARG  22          1HH1      ARG  22 -10.081  -6.418  -6.418
  440   2HH1  ARG  22          2HH1      ARG  22 -11.600  -7.159  -7.159
  441   1HH2  ARG  22          1HH2      ARG  22 -13.362  -4.183  -4.183
  442   2HH2  ARG  22          2HH2      ARG  22 -13.442  -5.907  -5.907
  443    H    GLN  23           H        GLN  23  -5.711  -4.642  -4.642
  444    HA   GLN  23           HA       GLN  23  -6.823  -7.045  -7.045
  445   1HB   GLN  23          2HB       GLN  23  -5.019  -4.866  -4.866
  446   2HB   GLN  23          1HB       GLN  23  -4.960  -6.407  -6.407
  447   1HG   GLN  23          2HG       GLN  23  -7.557  -4.971  -4.971
  448   2HG   GLN  23          1HG       GLN  23  -6.645  -4.715  -4.715
  449   1HE2  GLN  23          2HE2      GLN  23  -7.215  -8.133  -8.133
  450   2HE2  GLN  23          1HE2      GLN  23  -5.967  -6.986  -6.986
  451    H    ASN  24           H        ASN  24  -3.562  -6.001  -6.001
  452    HA   ASN  24           HA       ASN  24  -2.226  -8.400  -8.400
  453   1HB   ASN  24          2HB       ASN  24  -1.571  -6.346  -6.346
  454   2HB   ASN  24          1HB       ASN  24  -0.477  -7.609  -7.609
  455   1HD2  ASN  24          2HD2      ASN  24   0.610  -4.959  -4.959
  456   2HD2  ASN  24          1HD2      ASN  24   0.921  -5.687  -5.687
  457    H    ALA  25           H        ALA  25  -3.899  -7.333  -7.333
  458    HA   ALA  25           HA       ALA  25  -3.118  -9.435  -9.435
  459   1HB   ALA  25          3HB       ALA  25  -5.570  -7.676  -7.676
  460   2HB   ALA  25          2HB       ALA  25  -5.323  -8.902  -8.902
  461   3HB   ALA  25          1HB       ALA  25  -4.179  -7.571  -7.571
  462    H    LEU  26           H        LEU  26  -5.998  -9.073  -9.073
  463    HA   LEU  26           HA       LEU  26  -7.031 -11.672 -11.672
  464   1HB   LEU  26          2HB       LEU  26  -7.667  -9.523  -9.523
  465   2HB   LEU  26          1HB       LEU  26  -8.296 -11.145 -11.145
  466    HG   LEU  26           HG       LEU  26  -9.025 -11.027 -11.027
  467   1HD1  LEU  26          1HD1      LEU  26  -7.722  -8.753  -8.753
  468   2HD1  LEU  26          3HD1      LEU  26  -9.180  -8.086  -8.086
  469   3HD1  LEU  26          2HD1      LEU  26  -9.272  -8.906  -8.906
  470   1HD2  LEU  26          2HD2      LEU  26 -10.356 -10.774 -10.774
  471   2HD2  LEU  26          1HD2      LEU  26 -11.152 -10.570 -10.570
  472   3HD2  LEU  26          3HD2      LEU  26 -10.632  -9.156  -9.156
  473    H    LEU  27           H        LEU  27  -4.785 -10.396 -10.396
  474    HA   LEU  27           HA       LEU  27  -4.869 -12.640 -12.640
  475   1HB   LEU  27          2HB       LEU  27  -3.125 -10.245 -10.245
  476   2HB   LEU  27          1HB       LEU  27  -2.477 -11.612 -11.612
  477    HG   LEU  27           HG       LEU  27  -5.202 -10.439 -10.439
  478   1HD1  LEU  27          1HD1      LEU  27  -2.498  -9.720  -9.720
  479   2HD1  LEU  27          3HD1      LEU  27  -4.030  -9.318  -9.318
  480   3HD1  LEU  27          2HD1      LEU  27  -3.636  -8.638  -8.638
  481   1HD2  LEU  27          3HD2      LEU  27  -3.395 -12.494 -12.494
  482   2HD2  LEU  27          2HD2      LEU  27  -5.156 -12.466 -12.466
  483   3HD2  LEU  27          1HD2      LEU  27  -4.321 -11.494 -11.494
  484    H    GLU  28           H        GLU  28  -2.621 -11.607 -11.607
  485    HA   GLU  28           HA       GLU  28  -0.799 -13.722 -13.722
  486   1HB   GLU  28          2HB       GLU  28  -0.518 -11.646 -11.646
  487   2HB   GLU  28          1HB       GLU  28  -1.643 -12.339 -12.339
  488   1HG   GLU  28          2HG       GLU  28  -0.140 -13.913 -13.913
  489   2HG   GLU  28          1HG       GLU  28   0.613 -14.076 -14.076
  490    H    GLN  29           H        GLN  29  -3.715 -13.445 -13.445
  491    HA   GLN  29           HA       GLN  29  -3.487 -15.931 -15.931
  492   1HB   GLN  29          2HB       GLN  29  -5.943 -15.759 -15.759
  493   2HB   GLN  29          1HB       GLN  29  -5.085 -14.276 -14.276
  494   1HG   GLN  29          2HG       GLN  29  -5.734 -13.232 -13.232
  495   2HG   GLN  29          1HG       GLN  29  -6.398 -14.746 -14.746
  496   1HE2  GLN  29          2HE2      GLN  29  -9.510 -14.291 -14.291
  497   2HE2  GLN  29          1HE2      GLN  29  -8.569 -15.200 -15.200
  498    H    GLN  30           H        GLN  30  -4.678 -15.074 -15.074
  499    HA   GLN  30           HA       GLN  30  -5.797 -17.707 -17.707
  500   1HB   GLN  30          2HB       GLN  30  -6.482 -15.368 -15.368
  501   2HB   GLN  30          1HB       GLN  30  -5.210 -15.758 -15.758
  502   1HG   GLN  30          2HG       GLN  30  -7.228 -16.652 -16.652
  503   2HG   GLN  30          1HG       GLN  30  -6.336 -18.031 -18.031
  504   1HE2  GLN  30          2HE2      GLN  30  -9.273 -18.906 -18.906
  505   2HE2  GLN  30          1HE2      GLN  30  -8.121 -19.362 -19.362
  506    H    VAL  31           H        VAL  31  -2.883 -15.887 -15.887
  507    HA   VAL  31           HA       VAL  31  -1.763 -17.767 -17.767
  508    HB   VAL  31           HB       VAL  31  -0.425 -15.616 -15.616
  509   1HG1  VAL  31          2HG1      VAL  31   1.127 -17.371 -17.371
  510   2HG1  VAL  31          1HG1      VAL  31   0.551 -17.015 -17.015
  511   3HG1  VAL  31          3HG1      VAL  31   1.414 -15.783 -15.783
  512   1HG2  VAL  31          3HG2      VAL  31  -2.312 -15.271 -15.271
  513   2HG2  VAL  31          2HG2      VAL  31  -1.047 -14.104 -14.104
  514   3HG2  VAL  31          1HG2      VAL  31  -0.823 -15.248 -15.248
  515    H    ARG  32           H        ARG  32  -1.694 -17.324 -17.324
  516    HA   ARG  32           HA       ARG  32   0.430 -19.201 -19.201
  517   1HB   ARG  32          2HB       ARG  32  -0.469 -17.287 -17.287
  518   2HB   ARG  32          1HB       ARG  32  -1.642 -18.498 -18.498
  519   1HG   ARG  32          2HG       ARG  32  -0.020 -19.871 -19.871
  520   2HG   ARG  32          1HG       ARG  32   1.259 -19.249 -19.249
  521   1HD   ARG  32          2HD       ARG  32   1.776 -18.250 -18.250
  522   2HD   ARG  32          1HD       ARG  32   0.833 -16.995 -16.995
  523    HE   ARG  32           HE       ARG  32  -0.808 -17.277 -17.277
  524   1HH1  ARG  32          1HH1      ARG  32   1.333 -20.047 -20.047
  525   2HH1  ARG  32          2HH1      ARG  32   0.618 -20.733 -20.733
  526   1HH2  ARG  32          1HH2      ARG  32  -1.711 -18.208 -18.208
  527   2HH2  ARG  32          2HH2      ARG  32  -1.091 -19.702 -19.702
  528    H    ALA  33           H        ALA  33  -3.098 -19.315 -19.315
  529    HA   ALA  33           HA       ALA  33  -3.352 -21.953 -21.953
  530   1HB   ALA  33          3HB       ALA  33  -5.209 -20.301 -20.301
  531   2HB   ALA  33          2HB       ALA  33  -5.641 -21.859 -21.859
  532   3HB   ALA  33          1HB       ALA  33  -5.273 -20.491 -20.491
  533    H    LEU  34           H        LEU  34  -3.518 -20.681 -20.681
  534    HA   LEU  34           HA       LEU  34  -3.586 -23.304 -23.304
  535   1HB   LEU  34          2HB       LEU  34  -3.471 -20.502 -20.502
  536   2HB   LEU  34          1HB       LEU  34  -2.937 -21.790 -21.790
  537    HG   LEU  34           HG       LEU  34  -5.180 -22.948 -22.948
  538   1HD1  LEU  34          2HD1      LEU  34  -5.434 -20.070 -20.070
  539   2HD1  LEU  34          1HD1      LEU  34  -6.837 -20.833 -20.833
  540   3HD1  LEU  34          3HD1      LEU  34  -6.166 -21.490 -21.490
  541   1HD2  LEU  34          2HD2      LEU  34  -4.430 -22.054 -22.054
  542   2HD2  LEU  34          1HD2      LEU  34  -6.153 -22.288 -22.288
  543   3HD2  LEU  34          3HD2      LEU  34  -5.455 -20.670 -20.670
  544   1HN   NH2  35          1HT       LEU  34  -1.791 -23.647 -23.647
  545   2HN   NH2  35          2HT       LEU  34  -0.192 -23.503 -23.503

  Start of MODEL   36
    1   1H    ACE   2          1HA       ACE   2   1.053  28.029  28.029
    2   2H    ACE   2          2HA       ACE   2   2.741  28.225  28.225
    3   3H    ACE   2          3HA       ACE   2   1.559  27.658  27.658
    4    H    CYS   3           H        CYS   3   4.020  26.670  26.670
    5    HA   CYS   3           HA       CYS   3   2.907  23.941  23.941
    6   1HB   CYS   3          2HB       CYS   3   4.787  25.520  25.520
    7   2HB   CYS   3          1HB       CYS   3   4.869  23.759  23.759
    8    H    GLY   4           H        GLY   4   3.551  23.475  23.475
    9   1HA   GLY   4          2HA       GLY   4   6.362  22.659  22.659
   10   2HA   GLY   4          1HA       GLY   4   5.768  23.743  23.743
   11    H    GLY   5           H        GLY   5   6.136  20.540  20.540
   12   1HA   GLY   5          2HA       GLY   5   5.787  18.924  18.924
   13   2HA   GLY   5          1HA       GLY   5   4.186  19.639  19.639
   14    H    VAL   6           H        VAL   6   3.767  19.910  19.910
   15    HA   VAL   6           HA       VAL   6   2.493  17.446  17.446
   16    HB   VAL   6           HB       VAL   6   3.331  19.505  19.505
   17   1HG1  VAL   6          2HG1      VAL   6   2.384  17.159  17.159
   18   2HG1  VAL   6          1HG1      VAL   6   0.856  17.786  17.786
   19   3HG1  VAL   6          3HG1      VAL   6   1.650  18.583  18.583
   20   1HG2  VAL   6          2HG2      VAL   6   1.046  19.423  19.423
   21   2HG2  VAL   6          1HG2      VAL   6   2.148  20.756  20.756
   22   3HG2  VAL   6          3HG2      VAL   6   0.908  20.307  20.307
   23    H    GLN   7           H        GLN   7   5.681  18.674  18.674
   24    HA   GLN   7           HA       GLN   7   6.402  16.798  16.798
   25   1HB   GLN   7          2HB       GLN   7   7.912  18.551  18.551
   26   2HB   GLN   7          1HB       GLN   7   8.785  17.280  17.280
   27   1HG   GLN   7          2HG       GLN   7   8.964  18.925  18.925
   28   2HG   GLN   7          1HG       GLN   7   7.387  18.291  18.291
   29   1HE2  GLN   7          2HE2      GLN   7   7.664  22.066  22.066
   30   2HE2  GLN   7          1HE2      GLN   7   9.033  21.111  21.111
   31    H    ALA   8           H        ALA   8   6.365  16.646  16.646
   32    HA   ALA   8           HA       ALA   8   7.780  14.108  14.108
   33   1HB   ALA   8          2HB       ALA   8   6.496  15.871  15.871
   34   2HB   ALA   8          1HB       ALA   8   7.033  14.238  14.238
   35   3HB   ALA   8          3HB       ALA   8   8.196  15.437  15.437
   36    H    GLU   9           H        GLU   9   4.483  15.299  15.299
   37    HA   GLU   9           HA       GLU   9   3.317  12.797  12.797
   38   1HB   GLU   9          2HB       GLU   9   2.265  15.423  15.423
   39   2HB   GLU   9          1HB       GLU   9   1.204  14.014  14.014
   40   1HG   GLU   9          2HG       GLU   9   1.928  13.643  13.643
   41   2HG   GLU   9          1HG       GLU   9   2.562  15.289  15.289
   42    H    GLU  10           H        GLU  10   3.677  14.538  14.538
   43    HA   GLU  10           HA       GLU  10   2.308  12.647  12.647
   44   1HB   GLU  10          2HB       GLU  10   3.252  15.113  15.113
   45   2HB   GLU  10          1HB       GLU  10   4.568  14.172  14.172
   46   1HG   GLU  10          2HG       GLU  10   3.195  14.205  14.205
   47   2HG   GLU  10          1HG       GLU  10   2.474  12.816  12.816
   48    H    GLN  11           H        GLN  11   5.665  12.958  12.958
   49    HA   GLN  11           HA       GLN  11   6.698  10.902  10.902
   50   1HB   GLN  11          2HB       GLN  11   7.696  12.385  12.385
   51   2HB   GLN  11          1HB       GLN  11   8.528  10.911  10.911
   52   1HG   GLN  11          2HG       GLN  11   8.908  11.804  11.804
   53   2HG   GLN  11          1HG       GLN  11   7.933  13.227  13.227
   54   1HE2  GLN  11          2HE2      GLN  11  11.692  12.931  12.931
   55   2HE2  GLN  11          1HE2      GLN  11  10.899  11.521  11.521
   56    H    LYS  12           H        LYS  12   5.340  10.987  10.987
   57    HA   LYS  12           HA       LYS  12   6.037   8.308   8.308
   58   1HB   LYS  12          2HB       LYS  12   4.225  10.407  10.407
   59   2HB   LYS  12          1HB       LYS  12   3.939   8.736   8.736
   60   1HG   LYS  12          2HG       LYS  12   6.524   8.691   8.691
   61   2HG   LYS  12          1HG       LYS  12   6.368  10.449  10.449
   62   1HD   LYS  12          2HD       LYS  12   4.733  10.323  10.323
   63   2HD   LYS  12          1HD       LYS  12   4.701   8.562   8.562
   64   1HE   LYS  12          2HE       LYS  12   7.194  10.158  10.158
   65   2HE   LYS  12          1HE       LYS  12   6.135   9.457   9.457
   66   1HZ   LYS  12          3HZ       LYS  12   6.478   7.305   7.305
   67   2HZ   LYS  12          2HZ       LYS  12   7.846   8.096   8.096
   68   3HZ   LYS  12          1HZ       LYS  12   7.706   7.821   7.821
   69    H    LEU  13           H        LEU  13   3.211   9.820   9.820
   70    HA   LEU  13           HA       LEU  13   1.532   7.537   7.537
   71   1HB   LEU  13          2HB       LEU  13   1.599  10.047  10.047
   72   2HB   LEU  13          1HB       LEU  13   0.437   8.763   8.763
   73    HG   LEU  13           HG       LEU  13   0.721   9.675   9.675
   74   1HD1  LEU  13          3HD1      LEU  13   0.548  11.678  11.678
   75   2HD1  LEU  13          2HD1      LEU  13  -1.139  11.173  11.173
   76   3HD1  LEU  13          1HD1      LEU  13  -0.451  11.666  11.666
   77   1HD2  LEU  13          3HD2      LEU  13  -0.859   7.857   7.857
   78   2HD2  LEU  13          2HD2      LEU  13  -1.380   8.760   8.760
   79   3HD2  LEU  13          1HD2      LEU  13  -1.880   9.283   9.283
   80    H    ILE  14           H        ILE  14   3.655   8.887   8.887
   81    HA   ILE  14           HA       ILE  14   3.171   6.900   6.900
   82    HB   ILE  14           HB       ILE  14   5.682   8.546   8.546
   83   1HG1  ILE  14          2HG1      ILE  14   3.499   9.178   9.178
   84   2HG1  ILE  14          1HG1      ILE  14   3.302   9.657   9.657
   85   1HG2  ILE  14          1HG2      ILE  14   5.872   6.569   6.569
   86   2HG2  ILE  14          3HG2      ILE  14   4.579   7.273   7.273
   87   3HG2  ILE  14          2HG2      ILE  14   6.115   8.123   8.123
   88   1HD1  ILE  14          3HD1      ILE  14   5.460  10.853  10.853
   89   2HD1  ILE  14          2HD1      ILE  14   5.656  10.379  10.379
   90   3HD1  ILE  14          1HD1      ILE  14   4.348  11.467  11.467
   91    H    SER  15           H        SER  15   5.802   7.225   7.225
   92    HA   SER  15           HA       SER  15   7.177   4.874   4.874
   93   1HB   SER  15          2HB       SER  15   8.058   6.658   6.658
   94   2HB   SER  15          1HB       SER  15   6.940   6.116   6.116
   95    HG   SER  15           HG       SER  15   8.861   5.066   5.066
   96    H    GLU  16           H        GLU  16   4.309   5.401   5.401
   97    HA   GLU  16           HA       GLU  16   4.301   2.818   2.818
   98   1HB   GLU  16          2HB       GLU  16   3.038   4.971   4.971
   99   2HB   GLU  16          1HB       GLU  16   1.828   4.466   4.466
  100   1HG   GLU  16          2HG       GLU  16   1.189   2.635   2.635
  101   2HG   GLU  16          1HG       GLU  16   2.807   2.380   2.380
  102    H    GLU  17           H        GLU  17   2.288   4.244   4.244
  103    HA   GLU  17           HA       GLU  17   0.976   1.863   1.863
  104   1HB   GLU  17          2HB       GLU  17   0.450   3.007   3.007
  105   2HB   GLU  17          1HB       GLU  17   0.155   4.044   4.044
  106   1HG   GLU  17          2HG       GLU  17   2.422   5.062   5.062
  107   2HG   GLU  17          1HG       GLU  17   2.574   4.114   4.114
  108    H    ASP  18           H        ASP  18   3.976   3.325   3.325
  109    HA   ASP  18           HA       ASP  18   4.474   1.535   1.535
  110   1HB   ASP  18          2HB       ASP  18   5.706   3.746   3.746
  111   2HB   ASP  18          1HB       ASP  18   6.719   2.659   2.659
  112    H    LEU  19           H        LEU  19   5.037   1.309   1.309
  113    HA   LEU  19           HA       LEU  19   6.792  -0.902  -0.902
  114   1HB   LEU  19          2HB       LEU  19   5.861   0.667   0.667
  115   2HB   LEU  19          1HB       LEU  19   4.730  -0.672  -0.672
  116    HG   LEU  19           HG       LEU  19   7.677  -1.215  -1.215
  117   1HD1  LEU  19          1HD1      LEU  19   6.173  -0.474  -0.474
  118   2HD1  LEU  19          3HD1      LEU  19   7.798  -1.160  -1.160
  119   3HD1  LEU  19          2HD1      LEU  19   7.496   0.435   0.435
  120   1HD2  LEU  19          2HD2      LEU  19   6.055  -3.079  -3.079
  121   2HD2  LEU  19          1HD2      LEU  19   7.046  -3.201  -3.201
  122   3HD2  LEU  19          3HD2      LEU  19   5.389  -2.607  -2.607
  123    H    LEU  20           H        LEU  20   3.258  -0.781  -0.781
  124    HA   LEU  20           HA       LEU  20   2.920  -3.612  -3.612
  125   1HB   LEU  20          2HB       LEU  20   0.974  -1.313  -1.313
  126   2HB   LEU  20          1HB       LEU  20   0.496  -3.007  -3.007
  127    HG   LEU  20           HG       LEU  20   2.272  -2.154  -2.154
  128   1HD1  LEU  20          1HD1      LEU  20  -0.631  -1.311  -1.311
  129   2HD1  LEU  20          3HD1      LEU  20   0.268  -1.316  -1.316
  130   3HD1  LEU  20          2HD1      LEU  20   0.768  -0.255  -0.255
  131   1HD2  LEU  20          3HD2      LEU  20   1.389  -4.464  -4.464
  132   2HD2  LEU  20          2HD2      LEU  20   0.827  -3.708  -3.708
  133   3HD2  LEU  20          1HD2      LEU  20  -0.255  -3.832  -3.832
  134    H    ARG  21           H        ARG  21   3.134  -1.023  -1.023
  135    HA   ARG  21           HA       ARG  21   1.770  -2.049  -2.049
  136   1HB   ARG  21          2HB       ARG  21   2.979   0.213   0.213
  137   2HB   ARG  21          1HB       ARG  21   4.424  -0.648  -0.648
  138   1HG   ARG  21          2HG       ARG  21   3.622   0.057   0.057
  139   2HG   ARG  21          1HG       ARG  21   2.791  -1.491  -1.491
  140   1HD   ARG  21          2HD       ARG  21   0.755  -0.514  -0.514
  141   2HD   ARG  21          1HD       ARG  21   1.360   0.722   0.722
  142    HE   ARG  21           HE       ARG  21   1.647   2.134   2.134
  143   1HH1  ARG  21          1HH1      ARG  21   1.176  -1.150  -1.150
  144   2HH1  ARG  21          2HH1      ARG  21   1.037  -0.686  -0.686
  145   1HH2  ARG  21          1HH2      ARG  21   1.461   2.696   2.696
  146   2HH2  ARG  21          2HH2      ARG  21   1.197   1.472   1.472
  147    H    LYS  22           H        LYS  22   5.268  -2.358  -2.358
  148    HA   LYS  22           HA       LYS  22   5.723  -4.273  -4.273
  149   1HB   LYS  22          2HB       LYS  22   7.446  -2.789  -2.789
  150   2HB   LYS  22          1HB       LYS  22   7.421  -4.025  -4.025
  151   1HG   LYS  22          2HG       LYS  22   8.445  -5.595  -5.595
  152   2HG   LYS  22          1HG       LYS  22   7.711  -4.975  -4.975
  153   1HD   LYS  22          2HD       LYS  22   9.798  -3.394  -3.394
  154   2HD   LYS  22          1HD       LYS  22  10.248  -4.604  -4.604
  155   1HE   LYS  22          2HE       LYS  22   8.436  -3.307  -3.307
  156   2HE   LYS  22          1HE       LYS  22   8.861  -1.982  -1.982
  157   1HZ   LYS  22          1HZ       LYS  22  10.859  -3.592  -3.592
  158   2HZ   LYS  22          3HZ       LYS  22  10.231  -2.122  -2.122
  159   3HZ   LYS  22          2HZ       LYS  22  11.131  -2.160  -2.160
  160    H    ARG  23           H        ARG  23   4.965  -4.520  -4.520
  161    HA   ARG  23           HA       ARG  23   5.419  -7.302  -7.302
  162   1HB   ARG  23          2HB       ARG  23   4.967  -5.445  -5.445
  163   2HB   ARG  23          1HB       ARG  23   3.279  -5.900  -5.900
  164   1HG   ARG  23          2HG       ARG  23   3.899  -8.280  -8.280
  165   2HG   ARG  23          1HG       ARG  23   5.546  -7.757  -7.757
  166   1HD   ARG  23          2HD       ARG  23   4.741  -6.369  -6.369
  167   2HD   ARG  23          1HD       ARG  23   3.075  -6.790  -6.790
  168    HE   ARG  23           HE       ARG  23   4.491  -9.178  -9.178
  169   1HH1  ARG  23          1HH1      ARG  23   3.451  -6.344  -6.344
  170   2HH1  ARG  23          2HH1      ARG  23   3.342  -7.186  -7.186
  171   1HH2  ARG  23          1HH2      ARG  23   4.336 -10.238 -10.238
  172   2HH2  ARG  23          2HH2      ARG  23   3.838  -9.372  -9.372
  173    H    ARG  24           H        ARG  24   2.697  -5.417  -5.417
  174    HA   ARG  24           HA       ARG  24   0.770  -7.517  -7.517
  175   1HB   ARG  24          2HB       ARG  24   0.244  -5.056  -5.056
  176   2HB   ARG  24          1HB       ARG  24   0.802  -5.122  -5.122
  177   1HG   ARG  24          2HG       ARG  24  -0.919  -6.647  -6.647
  178   2HG   ARG  24          1HG       ARG  24  -1.323  -6.993  -6.993
  179   1HD   ARG  24          2HD       ARG  24  -3.010  -5.497  -5.497
  180   2HD   ARG  24          1HD       ARG  24  -1.947  -4.542  -4.542
  181    HE   ARG  24           HE       ARG  24  -1.320  -3.318  -3.318
  182   1HH1  ARG  24          1HH1      ARG  24  -2.911  -6.271  -6.271
  183   2HH1  ARG  24          2HH1      ARG  24  -2.968  -5.806  -5.806
  184   1HH2  ARG  24          1HH2      ARG  24  -1.414  -2.753  -2.753
  185   2HH2  ARG  24          2HH2      ARG  24  -2.128  -3.833  -3.833
  186    H    GLU  25           H        GLU  25   2.964  -6.255  -6.255
  187    HA   GLU  25           HA       GLU  25   2.075  -7.850  -7.850
  188   1HB   GLU  25          2HB       GLU  25   4.624  -6.415  -6.415
  189   2HB   GLU  25          1HB       GLU  25   4.595  -7.545  -7.545
  190   1HG   GLU  25          2HG       GLU  25   2.332  -6.229  -6.229
  191   2HG   GLU  25          1HG       GLU  25   3.161  -4.949  -4.949
  192    H    GLN  26           H        GLN  26   4.852  -8.345  -8.345
  193    HA   GLN  26           HA       GLN  26   5.568 -10.893 -10.893
  194   1HB   GLN  26          2HB       GLN  26   6.024  -9.471  -9.471
  195   2HB   GLN  26          1HB       GLN  26   6.564 -11.134 -11.134
  196   1HG   GLN  26          2HG       GLN  26   7.234  -9.088  -9.088
  197   2HG   GLN  26          1HG       GLN  26   8.173  -9.124  -9.124
  198   1HE2  GLN  26          2HE2      GLN  26   9.982 -11.990 -11.990
  199   2HE2  GLN  26          1HE2      GLN  26   9.785 -10.713 -10.713
  200    H    LEU  27           H        LEU  27   3.166  -9.856  -9.856
  201    HA   LEU  27           HA       LEU  27   2.653 -12.404 -12.404
  202   1HB   LEU  27          2HB       LEU  27   1.229  -9.779  -9.779
  203   2HB   LEU  27          1HB       LEU  27   0.325 -11.207 -11.207
  204    HG   LEU  27           HG       LEU  27   3.018 -10.551 -10.551
  205   1HD1  LEU  27          2HD1      LEU  27   1.065  -8.745  -8.745
  206   2HD1  LEU  27          1HD1      LEU  27   0.481  -9.864  -9.864
  207   3HD1  LEU  27          3HD1      LEU  27   2.083  -9.144  -9.144
  208   1HD2  LEU  27          1HD2      LEU  27   0.635 -12.245 -12.245
  209   2HD2  LEU  27          3HD2      LEU  27   2.265 -12.798 -12.798
  210   3HD2  LEU  27          2HD2      LEU  27   1.971 -11.884 -11.884
  211    H    LYS  28           H        LYS  28   1.063 -10.567 -10.567
  212    HA   LYS  28           HA       LYS  28  -0.873 -12.572 -12.572
  213   1HB   LYS  28          2HB       LYS  28   0.076 -10.069 -10.069
  214   2HB   LYS  28          1HB       LYS  28  -0.819 -11.226 -11.226
  215   1HG   LYS  28          2HG       LYS  28  -2.638 -11.232 -11.232
  216   2HG   LYS  28          1HG       LYS  28  -1.752 -10.033 -10.033
  217   1HD   LYS  28          2HD       LYS  28  -3.317  -8.785  -8.785
  218   2HD   LYS  28          1HD       LYS  28  -1.766  -8.582  -8.582
  219   1HE   LYS  28          2HE       LYS  28  -2.339 -10.316 -10.316
  220   2HE   LYS  28          1HE       LYS  28  -3.845 -10.653 -10.653
  221   1HZ   LYS  28          3HZ       LYS  28  -3.165  -8.010  -8.010
  222   2HZ   LYS  28          2HZ       LYS  28  -4.088  -9.186  -9.186
  223   3HZ   LYS  28          1HZ       LYS  28  -4.659  -8.498  -8.498
  224    H    HIS  29           H        HIS  29   2.429 -12.030 -12.030
  225    HA   HIS  29           HA       HIS  29   2.354 -13.714 -13.714
  226   1HB   HIS  29          2HB       HIS  29   4.688 -12.806 -12.806
  227   2HB   HIS  29          1HB       HIS  29   4.830 -13.631 -13.631
  228    HD1  HIS  29           HD1      HIS  29   2.302 -12.041 -12.041
  229    HD2  HIS  29           HD2      HIS  29   5.697 -10.355 -10.355
  230    HE1  HIS  29           HE1      HIS  29   2.491  -9.694  -9.694
  231    H    LYS  30           H        LYS  30   3.891 -14.194 -14.194
  232    HA   LYS  30           HA       LYS  30   4.581 -16.868 -16.868
  233   1HB   LYS  30          2HB       LYS  30   4.554 -17.008 -17.008
  234   2HB   LYS  30          1HB       LYS  30   5.359 -15.549 -15.549
  235   1HG   LYS  30          2HG       LYS  30   3.068 -14.395 -14.395
  236   2HG   LYS  30          1HG       LYS  30   2.606 -15.811 -15.811
  237   1HD   LYS  30          2HD       LYS  30   5.027 -14.080 -14.080
  238   2HD   LYS  30          1HD       LYS  30   3.485 -13.957 -13.957
  239   1HE   LYS  30          2HE       LYS  30   4.485 -15.431 -15.431
  240   2HE   LYS  30          1HE       LYS  30   3.927 -16.614 -16.614
  241   1HZ   LYS  30          2HZ       LYS  30   6.554 -15.283 -15.283
  242   2HZ   LYS  30          1HZ       LYS  30   6.358 -16.697 -16.697
  243   3HZ   LYS  30          3HZ       LYS  30   6.020 -16.717 -16.717
  244    H    LEU  31           H        LEU  31   1.436 -15.486 -15.486
  245    HA   LEU  31           HA       LEU  31   0.292 -18.100 -18.100
  246   1HB   LEU  31          2HB       LEU  31  -0.328 -15.663 -15.663
  247   2HB   LEU  31          1HB       LEU  31  -1.462 -15.733 -15.733
  248    HG   LEU  31           HG       LEU  31  -1.234 -18.151 -18.151
  249   1HD1  LEU  31          2HD1      LEU  31  -2.171 -15.472 -15.472
  250   2HD1  LEU  31          1HD1      LEU  31  -3.213 -16.839 -16.839
  251   3HD1  LEU  31          3HD1      LEU  31  -1.538 -16.816 -16.816
  252   1HD2  LEU  31          3HD2      LEU  31  -2.699 -17.979 -17.979
  253   2HD2  LEU  31          2HD2      LEU  31  -3.586 -18.352 -18.352
  254   3HD2  LEU  31          1HD2      LEU  31  -3.611 -16.714 -16.714
  255    H    GLU  32           H        GLU  32   0.199 -15.618 -15.618
  256    HA   GLU  32           HA       GLU  32  -1.529 -17.338 -17.338
  257   1HB   GLU  32          2HB       GLU  32  -1.803 -14.726 -14.726
  258   2HB   GLU  32          1HB       GLU  32  -0.649 -14.642 -14.642
  259   1HG   GLU  32          2HG       GLU  32  -2.741 -14.650 -14.650
  260   2HG   GLU  32          1HG       GLU  32  -2.219 -16.333 -16.333
  261    H    GLN  33           H        GLN  33   1.223 -18.081 -18.081
  262    HA   GLN  33           HA       GLN  33   2.510 -17.510 -17.510
  263   1HB   GLN  33          2HB       GLN  33   4.471 -18.708 -18.708
  264   2HB   GLN  33          1HB       GLN  33   3.993 -17.251 -17.251
  265   1HG   GLN  33          2HG       GLN  33   3.179 -18.425 -18.425
  266   2HG   GLN  33          1HG       GLN  33   2.730 -19.823 -19.823
  267   1HE2  GLN  33          2HE2      GLN  33   6.196 -21.037 -21.037
  268   2HE2  GLN  33          1HE2      GLN  33   4.936 -20.760 -20.760
  269    H    LEU  34           H        LEU  34   0.171 -19.155 -19.155
  270    HA   LEU  34           HA       LEU  34   1.343 -21.747 -21.747
  271   1HB   LEU  34          2HB       LEU  34  -1.226 -21.150 -21.150
  272   2HB   LEU  34          1HB       LEU  34  -1.031 -22.631 -22.631
  273    HG   LEU  34           HG       LEU  34   1.274 -22.715 -22.715
  274   1HD1  LEU  34          3HD1      LEU  34   0.705 -20.566 -20.566
  275   2HD1  LEU  34          2HD1      LEU  34  -0.678 -21.381 -21.381
  276   3HD1  LEU  34          1HD1      LEU  34   0.961 -21.915 -21.915
  277   1HD2  LEU  34          2HD2      LEU  34  -1.495 -23.616 -23.616
  278   2HD2  LEU  34          1HD2      LEU  34  -0.222 -24.564 -24.564
  279   3HD2  LEU  34          3HD2      LEU  34  -0.062 -24.079 -24.079
  280   1HN   NH2  35          1HT       LEU  34  -1.128 -19.271 -19.271
  281   2HN   NH2  35          2HT       LEU  34  -1.418 -19.783 -19.783
  282   1H    ACE   2          1HA       ACE   2   4.179  21.810  21.810
  283   2H    ACE   2          2HA       ACE   2   5.027  21.071  21.071
  284   3H    ACE   2          3HA       ACE   2   5.065  22.821  22.821
  285    H    CYS   3           H        CYS   3   3.881  23.789  23.789
  286    HA   CYS   3           HA       CYS   3   1.831  22.517  22.517
  287   1HB   CYS   3          2HB       CYS   3   2.506  25.450  25.450
  288   2HB   CYS   3          1HB       CYS   3   1.348  24.819  24.819
  289    H    GLY   4           H        GLY   4   0.178  21.729  21.729
  290   1HA   GLY   4          2HA       GLY   4  -1.695  23.701  23.701
  291   2HA   GLY   4          1HA       GLY   4  -1.062  22.545  22.545
  292    H    GLY   5           H        GLY   5  -1.375  20.245  20.245
  293   1HA   GLY   5          2HA       GLY   5  -4.031  19.789  19.789
  294   2HA   GLY   5          1HA       GLY   5  -3.138  18.673  18.673
  295    H    MET   6           H        MET   6  -3.156  20.128  20.128
  296    HA   MET   6           HA       MET   6  -1.369  18.103  18.103
  297   1HB   MET   6          2HB       MET   6  -2.802  20.484  20.484
  298   2HB   MET   6          1HB       MET   6  -2.134  19.261  19.261
  299   1HG   MET   6          2HG       MET   6   0.055  19.719  19.719
  300   2HG   MET   6          1HG       MET   6  -0.402  20.304  20.304
  301   1HE   MET   6          1HE       MET   6  -1.272  20.566  20.566
  302   2HE   MET   6          3HE       MET   6  -0.273  21.915  21.915
  303   3HE   MET   6          2HE       MET   6  -1.976  22.171  22.171
  304    H    ARG   7           H        ARG   7  -4.722  19.107  19.107
  305    HA   ARG   7           HA       ARG   7  -5.343  16.835  16.835
  306   1HB   ARG   7          2HB       ARG   7  -7.241  18.606  18.606
  307   2HB   ARG   7          1HB       ARG   7  -7.671  17.537  17.537
  308   1HG   ARG   7          2HG       ARG   7  -6.645  18.888  18.888
  309   2HG   ARG   7          1HG       ARG   7  -5.532  19.597  19.597
  310   1HD   ARG   7          2HD       ARG   7  -8.502  20.078  20.078
  311   2HD   ARG   7          1HD       ARG   7  -7.475  21.076  21.076
  312    HE   ARG   7           HE       ARG   7  -6.444  20.877  20.877
  313   1HH1  ARG   7          1HH1      ARG   7  -8.830  22.493  22.493
  314   2HH1  ARG   7          2HH1      ARG   7  -8.901  23.888  23.888
  315   1HH2  ARG   7          1HH2      ARG   7  -6.566  22.713  22.713
  316   2HH2  ARG   7          2HH2      ARG   7  -7.631  24.014  24.014
  317    H    ARG   8           H        ARG   8  -5.565  17.513  17.513
  318    HA   ARG   8           HA       ARG   8  -7.176  15.297  15.297
  319   1HB   ARG   8          2HB       ARG   8  -6.437  17.390  17.390
  320   2HB   ARG   8          1HB       ARG   8  -5.053  16.384  16.384
  321   1HG   ARG   8          2HG       ARG   8  -7.790  15.188  15.188
  322   2HG   ARG   8          1HG       ARG   8  -7.278  16.317  16.317
  323   1HD   ARG   8          2HD       ARG   8  -5.834  13.791  13.791
  324   2HD   ARG   8          1HD       ARG   8  -6.694  14.045  14.045
  325    HE   ARG   8           HE       ARG   8  -4.028  14.922  14.922
  326   1HH1  ARG   8          1HH1      ARG   8  -6.898  15.680  15.680
  327   2HH1  ARG   8          2HH1      ARG   8  -6.026  16.569  16.569
  328   1HH2  ARG   8          1HH2      ARG   8  -2.929  16.088  16.088
  329   2HH2  ARG   8          2HH2      ARG   8  -3.798  16.800  16.800
  330    H    LYS   9           H        LYS   9  -3.642  15.762  15.762
  331    HA   LYS   9           HA       LYS   9  -3.019  13.134  13.134
  332   1HB   LYS   9          2HB       LYS   9  -1.525  15.293  15.293
  333   2HB   LYS   9          1HB       LYS   9  -1.149  14.689  14.689
  334   1HG   LYS   9          2HG       LYS   9  -0.599  12.459  12.459
  335   2HG   LYS   9          1HG       LYS   9  -0.728  13.267  13.267
  336   1HD   LYS   9          2HD       LYS   9   0.911  15.007  15.007
  337   2HD   LYS   9          1HD       LYS   9   1.360  13.534  13.534
  338   1HE   LYS   9          2HE       LYS   9   1.919  12.411  12.411
  339   2HE   LYS   9          1HE       LYS   9   1.243  13.726  13.726
  340   1HZ   LYS   9          1HZ       LYS   9   2.931  15.198  15.198
  341   2HZ   LYS   9          3HZ       LYS   9   3.639  13.829  13.829
  342   3HZ   LYS   9          2HZ       LYS   9   3.591  13.981  13.981
  343    H    ASN  10           H        ASN  10  -3.299  14.612  14.612
  344    HA   ASN  10           HA       ASN  10  -2.438  12.326  12.326
  345   1HB   ASN  10          2HB       ASN  10  -3.974  14.811  14.811
  346   2HB   ASN  10          1HB       ASN  10  -3.776  13.506  13.506
  347   1HD2  ASN  10          2HD2      ASN  10  -0.735  16.035  16.035
  348   2HD2  ASN  10          1HD2      ASN  10  -2.310  16.323  16.323
  349    H    ASP  11           H        ASP  11  -5.519  13.360  13.360
  350    HA   ASP  11           HA       ASP  11  -7.237  11.694  11.694
  351   1HB   ASP  11          2HB       ASP  11  -7.948  13.546  13.546
  352   2HB   ASP  11          1HB       ASP  11  -7.596  12.464  12.464
  353    H    THR  12           H        THR  12  -5.992  11.165  11.165
  354    HA   THR  12           HA       THR  12  -6.838   8.488   8.488
  355    HB   THR  12           HB       THR  12  -6.199   9.756   9.756
  356    HG1  THR  12           HG1      THR  12  -5.642   7.923   7.923
  357   1HG2  THR  12          3HG2      THR  12  -3.436   9.733   9.733
  358   2HG2  THR  12          2HG2      THR  12  -3.777  10.231  10.231
  359   3HG2  THR  12          1HG2      THR  12  -4.442  11.149  11.149
  360    H    HIS  13           H        HIS  13  -3.960   9.940   9.940
  361    HA   HIS  13           HA       HIS  13  -2.324   7.656   7.656
  362   1HB   HIS  13          2HB       HIS  13  -2.472  10.263  10.263
  363   2HB   HIS  13          1HB       HIS  13  -1.482   8.976   8.976
  364    HD1  HIS  13           HD1      HIS  13  -0.331   7.696   7.696
  365    HD2  HIS  13           HD2      HIS  13  -0.586  11.824  11.824
  366    HE1  HIS  13           HE1      HIS  13   1.394   8.722   8.722
  367    H    GLN  14           H        GLN  14  -4.974   8.807   8.807
  368    HA   GLN  14           HA       GLN  14  -4.508   6.993   6.993
  369   1HB   GLN  14          2HB       GLN  14  -6.956   8.588   8.588
  370   2HB   GLN  14          1HB       GLN  14  -6.812   7.654   7.654
  371   1HG   GLN  14          2HG       GLN  14  -4.620   9.579   9.579
  372   2HG   GLN  14          1HG       GLN  14  -6.164  10.251  10.251
  373   1HE2  GLN  14          2HE2      GLN  14  -3.930   9.308   9.308
  374   2HE2  GLN  14          1HE2      GLN  14  -3.579  10.151  10.151
  375    H    GLN  15           H        GLN  15  -6.887   7.112   7.112
  376    HA   GLN  15           HA       GLN  15  -8.163   4.670   4.670
  377   1HB   GLN  15          2HB       GLN  15  -7.815   6.064   6.064
  378   2HB   GLN  15          1HB       GLN  15  -8.935   4.738   4.738
  379   1HG   GLN  15          2HG       GLN  15 -10.357   6.046   6.046
  380   2HG   GLN  15          1HG       GLN  15  -9.055   7.082   7.082
  381   1HE2  GLN  15          2HE2      GLN  15  -9.857   9.539   9.539
  382   2HE2  GLN  15          1HE2      GLN  15  -9.338   9.161   9.161
  383    H    ASP  16           H        ASP  16  -5.353   5.431   5.431
  384    HA   ASP  16           HA       ASP  16  -5.001   2.891   2.891
  385   1HB   ASP  16          2HB       ASP  16  -3.797   5.144   5.144
  386   2HB   ASP  16          1HB       ASP  16  -2.671   4.631   4.631
  387    H    ILE  17           H        ILE  17  -3.745   4.285   4.285
  388    HA   ILE  17           HA       ILE  17  -2.099   2.134   2.134
  389    HB   ILE  17           HB       ILE  17  -3.483   4.355   4.355
  390   1HG1  ILE  17          2HG1      ILE  17  -0.564   3.589   3.589
  391   2HG1  ILE  17          1HG1      ILE  17  -1.394   4.712   4.712
  392   1HG2  ILE  17          3HG2      ILE  17  -2.110   1.952   1.952
  393   2HG2  ILE  17          2HG2      ILE  17  -2.032   3.518   3.518
  394   3HG2  ILE  17          1HG2      ILE  17  -3.594   2.751   2.751
  395   1HD1  ILE  17          3HD1      ILE  17  -1.178   5.045   5.045
  396   2HD1  ILE  17          2HD1      ILE  17  -0.176   5.889   5.889
  397   3HD1  ILE  17          1HD1      ILE  17  -1.913   6.187   6.187
  398    H    ASP  18           H        ASP  18  -5.136   2.959   2.959
  399    HA   ASP  18           HA       ASP  18  -5.593   0.634   0.634
  400   1HB   ASP  18          2HB       ASP  18  -7.359   2.769   2.769
  401   2HB   ASP  18          1HB       ASP  18  -8.151   1.272   1.272
  402    H    ASP  19           H        ASP  19  -6.098   1.209   1.209
  403    HA   ASP  19           HA       ASP  19  -7.684  -1.143  -1.143
  404   1HB   ASP  19          2HB       ASP  19  -7.671   0.877   0.877
  405   2HB   ASP  19          1HB       ASP  19  -6.049   0.415   0.415
  406    H    LEU  20           H        LEU  20  -4.265  -0.307  -0.307
  407    HA   LEU  20           HA       LEU  20  -3.404  -2.741  -2.741
  408   1HB   LEU  20          2HB       LEU  20  -1.966  -0.626  -0.626
  409   2HB   LEU  20          1HB       LEU  20  -1.146  -2.048  -2.048
  410    HG   LEU  20           HG       LEU  20  -2.827  -0.273  -0.273
  411   1HD1  LEU  20          1HD1      LEU  20   0.014   0.085   0.085
  412   2HD1  LEU  20          3HD1      LEU  20  -0.478   0.642   0.642
  413   3HD1  LEU  20          2HD1      LEU  20  -1.257   1.296   1.296
  414   1HD2  LEU  20          2HD2      LEU  20  -0.671  -2.354  -2.354
  415   2HD2  LEU  20          1HD2      LEU  20  -2.308  -2.343  -2.343
  416   3HD2  LEU  20          3HD2      LEU  20  -1.100  -1.222  -1.222
  417    H    LYS  21           H        LYS  21  -3.594  -1.606  -1.606
  418    HA   LYS  21           HA       LYS  21  -2.409  -3.846  -3.846
  419   1HB   LYS  21          2HB       LYS  21  -4.444  -1.848  -1.848
  420   2HB   LYS  21          1HB       LYS  21  -3.770  -3.114  -3.114
  421   1HG   LYS  21          2HG       LYS  21  -1.551  -2.262  -2.262
  422   2HG   LYS  21          1HG       LYS  21  -2.031  -1.186  -1.186
  423   1HD   LYS  21          2HD       LYS  21  -3.351   0.170   0.170
  424   2HD   LYS  21          1HD       LYS  21  -3.120  -0.979  -0.979
  425   1HE   LYS  21          2HE       LYS  21  -0.564  -0.534  -0.534
  426   2HE   LYS  21          1HE       LYS  21  -1.153   0.948   0.948
  427   1HZ   LYS  21          1HZ       LYS  21  -1.787   0.053   0.053
  428   2HZ   LYS  21          3HZ       LYS  21  -0.666   1.260   1.260
  429   3HZ   LYS  21          2HZ       LYS  21  -2.319   1.494   1.494
  430    H    ARG  22           H        ARG  22  -5.814  -3.110  -3.110
  431    HA   ARG  22           HA       ARG  22  -6.929  -5.431  -5.431
  432   1HB   ARG  22          2HB       ARG  22  -8.097  -3.290  -3.290
  433   2HB   ARG  22          1HB       ARG  22  -8.090  -4.149  -4.149
  434   1HG   ARG  22          2HG       ARG  22  -9.100  -6.130  -6.130
  435   2HG   ARG  22          1HG       ARG  22  -9.448  -4.931  -4.931
  436   1HD   ARG  22          2HD       ARG  22 -10.781  -3.627  -3.627
  437   2HD   ARG  22          1HD       ARG  22 -10.293  -4.632  -4.632
  438    HE   ARG  22           HE       ARG  22 -12.401  -5.193  -5.193
  439   1HH1  ARG  22          1HH1      ARG  22  -9.911  -6.701  -6.701
  440   2HH1  ARG  22          2HH1      ARG  22 -10.764  -8.199  -8.199
  441   1HH2  ARG  22          1HH2      ARG  22 -13.479  -7.162  -7.162
  442   2HH2  ARG  22          2HH2      ARG  22 -12.768  -8.461  -8.461
  443    H    GLN  23           H        GLN  23  -5.667  -4.773  -4.773
  444    HA   GLN  23           HA       GLN  23  -6.429  -7.310  -7.310
  445   1HB   GLN  23          2HB       GLN  23  -5.947  -5.239  -5.239
  446   2HB   GLN  23          1HB       GLN  23  -4.238  -5.477  -5.477
  447   1HG   GLN  23          2HG       GLN  23  -4.710  -6.505  -6.505
  448   2HG   GLN  23          1HG       GLN  23  -4.417  -7.786  -7.786
  449   1HE2  GLN  23          2HE2      GLN  23  -7.486  -9.248  -9.248
  450   2HE2  GLN  23          1HE2      GLN  23  -5.821  -9.449  -9.449
  451    H    ASN  24           H        ASN  24  -3.291  -5.949  -5.949
  452    HA   ASN  24           HA       ASN  24  -1.803  -8.319  -8.319
  453   1HB   ASN  24          2HB       ASN  24  -1.293  -6.035  -6.035
  454   2HB   ASN  24          1HB       ASN  24  -0.115  -7.250  -7.250
  455   1HD2  ASN  24          2HD2      ASN  24   0.765  -4.788  -4.788
  456   2HD2  ASN  24          1HD2      ASN  24   1.193  -5.443  -5.443
  457    H    ALA  25           H        ALA  25  -3.776  -7.139  -7.139
  458    HA   ALA  25           HA       ALA  25  -2.860  -8.843  -8.843
  459   1HB   ALA  25          1HB       ALA  25  -5.478  -7.453  -7.453
  460   2HB   ALA  25          3HB       ALA  25  -5.287  -8.544  -8.544
  461   3HB   ALA  25          2HB       ALA  25  -4.267  -7.111  -7.111
  462    H    LEU  26           H        LEU  26  -5.659  -9.213  -9.213
  463    HA   LEU  26           HA       LEU  26  -6.248 -11.872 -11.872
  464   1HB   LEU  26          2HB       LEU  26  -7.156 -10.102 -10.102
  465   2HB   LEU  26          1HB       LEU  26  -7.486 -11.831 -11.831
  466    HG   LEU  26           HG       LEU  26  -8.111 -10.316 -10.316
  467   1HD1  LEU  26          3HD1      LEU  26  -9.163  -9.239  -9.239
  468   2HD1  LEU  26          2HD1      LEU  26 -10.099 -10.726 -10.726
  469   3HD1  LEU  26          1HD1      LEU  26 -10.265  -9.718  -9.718
  470   1HD2  LEU  26          1HD2      LEU  26  -8.115 -12.898 -12.898
  471   2HD2  LEU  26          3HD2      LEU  26  -9.525 -12.153 -12.153
  472   3HD2  LEU  26          2HD2      LEU  26  -9.584 -12.637 -12.637
  473    H    LEU  27           H        LEU  27  -4.224 -10.486 -10.486
  474    HA   LEU  27           HA       LEU  27  -3.835 -12.782 -12.782
  475   1HB   LEU  27          2HB       LEU  27  -2.238 -10.289 -10.289
  476   2HB   LEU  27          1HB       LEU  27  -1.540 -11.609 -11.609
  477    HG   LEU  27           HG       LEU  27  -4.245 -10.379 -10.379
  478   1HD1  LEU  27          2HD1      LEU  27  -2.367  -8.754  -8.754
  479   2HD1  LEU  27          1HD1      LEU  27  -1.594  -9.898  -9.898
  480   3HD1  LEU  27          3HD1      LEU  27  -3.147  -9.181  -9.181
  481   1HD2  LEU  27          2HD2      LEU  27  -2.509 -12.492 -12.492
  482   2HD2  LEU  27          1HD2      LEU  27  -4.259 -12.471 -12.471
  483   3HD2  LEU  27          3HD2      LEU  27  -3.515 -11.502 -11.502
  484    H    GLU  28           H        GLU  28  -1.552 -11.410 -11.410
  485    HA   GLU  28           HA       GLU  28   0.119 -13.654 -13.654
  486   1HB   GLU  28          2HB       GLU  28   0.911 -12.645 -12.645
  487   2HB   GLU  28          1HB       GLU  28   0.835 -11.482 -11.482
  488   1HG   GLU  28          2HG       GLU  28  -0.354 -10.199 -10.199
  489   2HG   GLU  28          1HG       GLU  28  -1.693 -11.287 -11.287
  490    H    GLN  29           H        GLN  29  -2.868 -12.871 -12.871
  491    HA   GLN  29           HA       GLN  29  -2.739 -14.695 -14.695
  492   1HB   GLN  29          2HB       GLN  29  -4.938 -13.315 -13.315
  493   2HB   GLN  29          1HB       GLN  29  -5.366 -14.678 -14.678
  494   1HG   GLN  29          2HG       GLN  29  -3.495 -12.622 -12.622
  495   2HG   GLN  29          1HG       GLN  29  -5.206 -12.205 -12.205
  496   1HE2  GLN  29          2HE2      GLN  29  -6.228 -14.567 -14.567
  497   2HE2  GLN  29          1HE2      GLN  29  -6.762 -13.669 -13.669
  498    H    GLN  30           H        GLN  30  -3.532 -15.116 -15.116
  499    HA   GLN  30           HA       GLN  30  -4.425 -17.866 -17.866
  500   1HB   GLN  30          2HB       GLN  30  -4.369 -15.967 -15.967
  501   2HB   GLN  30          1HB       GLN  30  -4.376 -17.696 -17.696
  502   1HG   GLN  30          2HG       GLN  30  -6.359 -17.908 -17.908
  503   2HG   GLN  30          1HG       GLN  30  -6.412 -16.147 -16.147
  504   1HE2  GLN  30          2HE2      GLN  30  -8.276 -17.896 -17.896
  505   2HE2  GLN  30          1HE2      GLN  30  -7.926 -18.622 -18.622
  506    H    VAL  31           H        VAL  31  -1.638 -16.087 -16.087
  507    HA   VAL  31           HA       VAL  31  -0.271 -18.218 -18.218
  508    HB   VAL  31           HB       VAL  31   0.954 -15.843 -15.843
  509   1HG1  VAL  31          2HG1      VAL  31   2.270 -17.982 -17.982
  510   2HG1  VAL  31          1HG1      VAL  31   2.094 -17.074 -17.074
  511   3HG1  VAL  31          3HG1      VAL  31   2.920 -16.347 -16.347
  512   1HG2  VAL  31          3HG2      VAL  31  -0.902 -15.651 -15.651
  513   2HG2  VAL  31          2HG2      VAL  31   0.433 -14.514 -14.514
  514   3HG2  VAL  31          1HG2      VAL  31   0.559 -15.842 -15.842
  515    H    ARG  32           H        ARG  32  -0.360 -17.079 -17.079
  516    HA   ARG  32           HA       ARG  32   1.711 -18.698 -18.698
  517   1HB   ARG  32          2HB       ARG  32   0.541 -18.405 -18.405
  518   2HB   ARG  32          1HB       ARG  32   0.865 -16.895 -16.895
  519   1HG   ARG  32          2HG       ARG  32  -1.399 -16.690 -16.690
  520   2HG   ARG  32          1HG       ARG  32  -1.766 -18.359 -18.359
  521   1HD   ARG  32          2HD       ARG  32  -2.628 -16.677 -16.677
  522   2HD   ARG  32          1HD       ARG  32  -1.536 -17.866 -17.866
  523    HE   ARG  32           HE       ARG  32  -0.204 -15.450 -15.450
  524   1HH1  ARG  32          1HH1      ARG  32  -1.956 -16.994 -16.994
  525   2HH1  ARG  32          2HH1      ARG  32  -1.253 -15.986 -15.986
  526   1HH2  ARG  32          1HH2      ARG  32   0.687 -14.158 -14.158
  527   2HH2  ARG  32          2HH2      ARG  32   0.230 -14.395 -14.395
  528    H    ALA  33           H        ALA  33  -1.644 -19.362 -19.362
  529    HA   ALA  33           HA       ALA  33  -1.817 -21.830 -21.830
  530   1HB   ALA  33          1HB       ALA  33  -3.686 -20.259 -20.259
  531   2HB   ALA  33          3HB       ALA  33  -3.490 -21.402 -21.402
  532   3HB   ALA  33          2HB       ALA  33  -3.951 -21.980 -21.980
  533    H    LEU  34           H        LEU  34  -0.796 -20.894 -20.894
  534    HA   LEU  34           HA       LEU  34  -0.287 -23.732 -23.732
  535   1HB   LEU  34          2HB       LEU  34  -0.954 -21.336 -21.336
  536   2HB   LEU  34          1HB       LEU  34   0.111 -22.548 -22.548
  537    HG   LEU  34           HG       LEU  34  -1.752 -24.195 -24.195
  538   1HD1  LEU  34          3HD1      LEU  34  -3.033 -21.496 -21.496
  539   2HD1  LEU  34          2HD1      LEU  34  -3.972 -22.929 -22.929
  540   3HD1  LEU  34          1HD1      LEU  34  -3.309 -22.751 -22.751
  541   1HD2  LEU  34          2HD2      LEU  34  -0.930 -23.662 -23.662
  542   2HD2  LEU  34          1HD2      LEU  34  -2.478 -24.474 -24.474
  543   3HD2  LEU  34          3HD2      LEU  34  -2.433 -22.743 -22.743
  544   1HN   NH2  35          1HT       LEU  34   1.482 -21.980 -21.980
  545   2HN   NH2  35          2HT       LEU  34   2.974 -21.943 -21.943

  Start of MODEL   37
    1   1H    ACE   2          1HA       ACE   2  -1.630  26.499  26.499
    2   2H    ACE   2          2HA       ACE   2  -2.077  24.841  24.841
    3   3H    ACE   2          3HA       ACE   2  -2.307  26.127  26.127
    4    H    CYS   3           H        CYS   3  -0.771  23.640  23.640
    5    HA   CYS   3           HA       CYS   3   1.218  22.918  22.918
    6   1HB   CYS   3          2HB       CYS   3   0.721  25.124  25.124
    7   2HB   CYS   3          1HB       CYS   3   2.103  25.741  25.741
    8    H    GLY   4           H        GLY   4   1.030  23.519  23.519
    9   1HA   GLY   4          2HA       GLY   4   3.409  24.804  24.804
   10   2HA   GLY   4          1HA       GLY   4   2.367  23.755  23.755
   11    H    GLY   5           H        GLY   5   3.226  21.904  21.904
   12   1HA   GLY   5          2HA       GLY   5   5.694  20.948  20.948
   13   2HA   GLY   5          1HA       GLY   5   5.148  20.520  20.520
   14    H    VAL   6           H        VAL   6   3.103  20.532  20.532
   15    HA   VAL   6           HA       VAL   6   2.081  17.944  17.944
   16    HB   VAL   6           HB       VAL   6   0.876  19.656  19.656
   17   1HG1  VAL   6          1HG1      VAL   6   2.835  20.570  20.570
   18   2HG1  VAL   6          3HG1      VAL   6   2.947  19.075  19.075
   19   3HG1  VAL   6          2HG1      VAL   6   1.539  20.122  20.122
   20   1HG2  VAL   6          3HG2      VAL   6   0.695  17.033  17.033
   21   2HG2  VAL   6          2HG2      VAL   6  -0.179  18.126  18.126
   22   3HG2  VAL   6          1HG2      VAL   6   1.340  17.400  17.400
   23    H    GLN   7           H        GLN   7   4.801  19.103  19.103
   24    HA   GLN   7           HA       GLN   7   5.281  16.830  16.830
   25   1HB   GLN   7          2HB       GLN   7   7.322  18.738  18.738
   26   2HB   GLN   7          1HB       GLN   7   7.571  17.660  17.660
   27   1HG   GLN   7          2HG       GLN   7   6.323  18.958  18.958
   28   2HG   GLN   7          1HG       GLN   7   5.224  19.483  19.483
   29   1HE2  GLN   7          2HE2      GLN   7   8.834  21.446  21.446
   30   2HE2  GLN   7          1HE2      GLN   7   8.768  19.791  19.791
   31    H    ALA   8           H        ALA   8   6.197  17.620  17.620
   32    HA   ALA   8           HA       ALA   8   7.943  15.398  15.398
   33   1HB   ALA   8          2HB       ALA   8   7.756  17.527  17.527
   34   2HB   ALA   8          1HB       ALA   8   6.371  16.744  16.744
   35   3HB   ALA   8          3HB       ALA   8   7.967  15.997  15.997
   36    H    GLU   9           H        GLU   9   4.546  15.995  15.995
   37    HA   GLU   9           HA       GLU   9   4.057  13.472  13.472
   38   1HB   GLU   9          2HB       GLU   9   2.224  15.489  15.489
   39   2HB   GLU   9          1HB       GLU   9   1.629  14.000  14.000
   40   1HG   GLU   9          2HG       GLU   9   2.420  14.626  14.626
   41   2HG   GLU   9          1HG       GLU   9   3.418  15.923  15.923
   42    H    GLU  10           H        GLU  10   4.000  14.604  14.604
   43    HA   GLU  10           HA       GLU  10   2.684  12.322  12.322
   44   1HB   GLU  10          2HB       GLU  10   3.242  14.747  14.747
   45   2HB   GLU  10          1HB       GLU  10   4.614  13.858  13.858
   46   1HG   GLU  10          2HG       GLU  10   3.227  12.363  12.363
   47   2HG   GLU  10          1HG       GLU  10   1.809  12.777  12.777
   48    H    GLN  11           H        GLN  11   6.033  13.194  13.194
   49    HA   GLN  11           HA       GLN  11   7.293  11.132  11.132
   50   1HB   GLN  11          2HB       GLN  11   8.282  13.217  13.217
   51   2HB   GLN  11          1HB       GLN  11   8.433  12.063  12.063
   52   1HG   GLN  11          2HG       GLN  11  10.439  11.627  11.627
   53   2HG   GLN  11          1HG       GLN  11   9.431  10.554  10.554
   54   1HE2  GLN  11          2HE2      GLN  11  11.372  13.466  13.466
   55   2HE2  GLN  11          1HE2      GLN  11  11.784  12.857  12.857
   56    H    LYS  12           H        LYS  12   5.805  11.219  11.219
   57    HA   LYS  12           HA       LYS  12   6.793   8.619   8.619
   58   1HB   LYS  12          2HB       LYS  12   4.883  10.616  10.616
   59   2HB   LYS  12          1HB       LYS  12   4.888   8.960   8.960
   60   1HG   LYS  12          2HG       LYS  12   7.396   9.185   9.185
   61   2HG   LYS  12          1HG       LYS  12   7.209  10.904  10.904
   62   1HD   LYS  12          2HD       LYS  12   5.291  10.649  10.649
   63   2HD   LYS  12          1HD       LYS  12   6.375   9.364   9.364
   64   1HE   LYS  12          2HE       LYS  12   8.055  10.823  10.823
   65   2HE   LYS  12          1HE       LYS  12   7.639  11.959  11.959
   66   1HZ   LYS  12          2HZ       LYS  12   5.860  11.537  11.537
   67   2HZ   LYS  12          1HZ       LYS  12   7.151  12.641  12.641
   68   3HZ   LYS  12          3HZ       LYS  12   5.913  12.856  12.856
   69    H    LEU  13           H        LEU  13   3.915   9.948   9.948
   70    HA   LEU  13           HA       LEU  13   2.308   7.590   7.590
   71   1HB   LEU  13          2HB       LEU  13   2.113  10.039  10.039
   72   2HB   LEU  13          1HB       LEU  13   0.958   8.710   8.710
   73    HG   LEU  13           HG       LEU  13   1.579   9.849   9.849
   74   1HD1  LEU  13          3HD1      LEU  13   0.993  11.637  11.637
   75   2HD1  LEU  13          2HD1      LEU  13  -0.643  11.096  11.096
   76   3HD1  LEU  13          1HD1      LEU  13   0.373  11.787  11.787
   77   1HD2  LEU  13          2HD2      LEU  13  -0.013   7.845   7.845
   78   2HD2  LEU  13          1HD2      LEU  13  -0.453   8.904   8.904
   79   3HD2  LEU  13          3HD2      LEU  13  -1.144   9.173   9.173
   80    H    ILE  14           H        ILE  14   4.290   8.973   8.973
   81    HA   ILE  14           HA       ILE  14   3.723   7.025   7.025
   82    HB   ILE  14           HB       ILE  14   6.286   8.604   8.604
   83   1HG1  ILE  14          2HG1      ILE  14   4.130   9.405   9.405
   84   2HG1  ILE  14          1HG1      ILE  14   3.849   9.724   9.724
   85   1HG2  ILE  14          2HG2      ILE  14   5.114   6.917   6.917
   86   2HG2  ILE  14          1HG2      ILE  14   6.037   8.351   8.351
   87   3HG2  ILE  14          3HG2      ILE  14   6.795   7.080   7.080
   88   1HD1  ILE  14          2HD1      ILE  14   6.009  10.915  10.915
   89   2HD1  ILE  14          1HD1      ILE  14   6.281  10.605  10.605
   90   3HD1  ILE  14          3HD1      ILE  14   4.952  11.648  11.648
   91    H    SER  15           H        SER  15   6.554   7.301   7.301
   92    HA   SER  15           HA       SER  15   7.765   4.876   4.876
   93   1HB   SER  15          2HB       SER  15   9.021   6.458   6.458
   94   2HB   SER  15          1HB       SER  15   7.832   6.433   6.433
   95    HG   SER  15           HG       SER  15   8.816   4.752   4.752
   96    H    GLU  16           H        GLU  16   5.143   5.574   5.574
   97    HA   GLU  16           HA       GLU  16   5.135   3.059   3.059
   98   1HB   GLU  16          2HB       GLU  16   3.220   5.340   5.340
   99   2HB   GLU  16          1HB       GLU  16   2.621   3.799   3.799
  100   1HG   GLU  16          2HG       GLU  16   5.173   4.892   4.892
  101   2HG   GLU  16          1HG       GLU  16   3.647   5.603   5.603
  102    H    GLU  17           H        GLU  17   2.818   4.359   4.359
  103    HA   GLU  17           HA       GLU  17   1.555   1.900   1.900
  104   1HB   GLU  17          2HB       GLU  17   0.693   2.986   2.986
  105   2HB   GLU  17          1HB       GLU  17   0.513   4.012   4.012
  106   1HG   GLU  17          2HG       GLU  17   1.429   5.542   5.542
  107   2HG   GLU  17          1HG       GLU  17   2.904   4.891   4.891
  108    H    ASP  18           H        ASP  18   4.454   3.351   3.351
  109    HA   ASP  18           HA       ASP  18   4.740   1.782   1.782
  110   1HB   ASP  18          2HB       ASP  18   6.137   3.787   3.787
  111   2HB   ASP  18          1HB       ASP  18   6.988   2.798   2.798
  112    H    LEU  19           H        LEU  19   5.606   1.162   1.162
  113    HA   LEU  19           HA       LEU  19   7.033  -1.265  -1.265
  114   1HB   LEU  19          2HB       LEU  19   5.998   0.126   0.126
  115   2HB   LEU  19          1HB       LEU  19   6.346  -1.600  -1.600
  116    HG   LEU  19           HG       LEU  19   8.372   0.169   0.169
  117   1HD1  LEU  19          2HD1      LEU  19   7.567   0.232   0.232
  118   2HD1  LEU  19          1HD1      LEU  19   9.297   0.191   0.191
  119   3HD1  LEU  19          3HD1      LEU  19   8.301   1.494   1.494
  120   1HD2  LEU  19          2HD2      LEU  19   8.520  -2.259  -2.259
  121   2HD2  LEU  19          1HD2      LEU  19   8.666  -2.280  -2.280
  122   3HD2  LEU  19          3HD2      LEU  19   9.898  -1.482  -1.482
  123    H    LEU  20           H        LEU  20   3.701  -0.420  -0.420
  124    HA   LEU  20           HA       LEU  20   2.779  -3.089  -3.089
  125   1HB   LEU  20          2HB       LEU  20   1.520  -0.424  -0.424
  126   2HB   LEU  20          1HB       LEU  20   0.527  -1.840  -1.840
  127    HG   LEU  20           HG       LEU  20   2.124  -1.791  -1.791
  128   1HD1  LEU  20          3HD1      LEU  20   0.921   0.415   0.415
  129   2HD1  LEU  20          2HD1      LEU  20  -0.592  -0.480  -0.480
  130   3HD1  LEU  20          1HD1      LEU  20   0.375  -0.587  -0.587
  131   1HD2  LEU  20          3HD2      LEU  20  -0.533  -2.939  -2.939
  132   2HD2  LEU  20          2HD2      LEU  20   0.947  -3.829  -3.829
  133   3HD2  LEU  20          1HD2      LEU  20   0.052  -3.036  -3.036
  134    H    ARG  21           H        ARG  21   2.643  -0.890  -0.890
  135    HA   ARG  21           HA       ARG  21   1.315  -2.653  -2.653
  136   1HB   ARG  21          2HB       ARG  21   2.240  -1.254  -1.254
  137   2HB   ARG  21          1HB       ARG  21   1.561  -0.275  -0.275
  138   1HG   ARG  21          2HG       ARG  21   3.808   0.065   0.065
  139   2HG   ARG  21          1HG       ARG  21   4.498  -0.940  -0.940
  140   1HD   ARG  21          2HD       ARG  21   2.955   1.632   1.632
  141   2HD   ARG  21          1HD       ARG  21   4.703   1.464   1.464
  142    HE   ARG  21           HE       ARG  21   3.538  -0.412  -0.412
  143   1HH1  ARG  21          1HH1      ARG  21   3.860   3.055   3.055
  144   2HH1  ARG  21          2HH1      ARG  21   3.772   3.351   3.351
  145   1HH2  ARG  21          1HH2      ARG  21   3.425   0.018   0.018
  146   2HH2  ARG  21          2HH2      ARG  21   3.527   1.648   1.648
  147    H    LYS  22           H        LYS  22   4.679  -2.367  -2.367
  148    HA   LYS  22           HA       LYS  22   5.814  -3.956  -3.956
  149   1HB   LYS  22          2HB       LYS  22   7.021  -2.484  -2.484
  150   2HB   LYS  22          1HB       LYS  22   6.862  -3.867  -3.867
  151   1HG   LYS  22          2HG       LYS  22   8.886  -4.407  -4.407
  152   2HG   LYS  22          1HG       LYS  22   7.821  -5.158  -5.158
  153   1HD   LYS  22          2HD       LYS  22   7.930  -3.150  -3.150
  154   2HD   LYS  22          1HD       LYS  22   8.945  -2.348  -2.348
  155   1HE   LYS  22          2HE       LYS  22  10.778  -3.752  -3.752
  156   2HE   LYS  22          1HE       LYS  22   9.772  -5.001  -5.001
  157   1HZ   LYS  22          3HZ       LYS  22  10.075  -2.309  -2.309
  158   2HZ   LYS  22          2HZ       LYS  22  11.124  -3.590  -3.590
  159   3HZ   LYS  22          1HZ       LYS  22   9.467  -3.714  -3.714
  160    H    ARG  23           H        ARG  23   4.345  -4.703  -4.703
  161    HA   ARG  23           HA       ARG  23   5.023  -7.472  -7.472
  162   1HB   ARG  23          2HB       ARG  23   4.220  -6.040  -6.040
  163   2HB   ARG  23          1HB       ARG  23   2.595  -6.273  -6.273
  164   1HG   ARG  23          2HG       ARG  23   2.770  -8.667  -8.667
  165   2HG   ARG  23          1HG       ARG  23   4.486  -8.558  -8.558
  166   1HD   ARG  23          2HD       ARG  23   3.888  -7.261  -7.261
  167   2HD   ARG  23          1HD       ARG  23   2.186  -7.498  -7.498
  168    HE   ARG  23           HE       ARG  23   3.417 -10.023 -10.023
  169   1HH1  ARG  23          1HH1      ARG  23   2.653  -7.394  -7.394
  170   2HH1  ARG  23          2HH1      ARG  23   2.518  -8.429  -8.429
  171   1HH2  ARG  23          1HH2      ARG  23   3.230 -11.336 -11.336
  172   2HH2  ARG  23          2HH2      ARG  23   2.841 -10.641 -10.641
  173    H    ARG  24           H        ARG  24   2.411  -5.595  -5.595
  174    HA   ARG  24           HA       ARG  24   0.582  -7.674  -7.674
  175   1HB   ARG  24          2HB       ARG  24   1.049  -4.930  -4.930
  176   2HB   ARG  24          1HB       ARG  24   0.136  -6.013  -6.013
  177   1HG   ARG  24          2HG       ARG  24  -1.190  -6.576  -6.576
  178   2HG   ARG  24          1HG       ARG  24  -0.547  -5.031  -5.031
  179   1HD   ARG  24          2HD       ARG  24  -2.225  -5.517  -5.517
  180   2HD   ARG  24          1HD       ARG  24  -2.703  -4.630  -4.630
  181    HE   ARG  24           HE       ARG  24  -0.418  -3.373  -3.373
  182   1HH1  ARG  24          1HH1      ARG  24  -3.681  -4.036  -4.036
  183   2HH1  ARG  24          2HH1      ARG  24  -3.756  -2.626  -2.626
  184   1HH2  ARG  24          1HH2      ARG  24  -0.561  -1.546  -1.546
  185   2HH2  ARG  24          2HH2      ARG  24  -2.006  -1.226  -1.226
  186    H    GLU  25           H        GLU  25   3.240  -6.339  -6.339
  187    HA   GLU  25           HA       GLU  25   2.861  -7.959  -7.959
  188   1HB   GLU  25          2HB       GLU  25   5.169  -6.414  -6.414
  189   2HB   GLU  25          1HB       GLU  25   5.450  -7.529  -7.529
  190   1HG   GLU  25          2HG       GLU  25   3.905  -6.381  -6.381
  191   2HG   GLU  25          1HG       GLU  25   3.259  -5.446  -5.446
  192    H    GLN  26           H        GLN  26   4.745  -8.427  -8.427
  193    HA   GLN  26           HA       GLN  26   6.021 -10.835 -10.835
  194   1HB   GLN  26          2HB       GLN  26   6.667  -9.377  -9.377
  195   2HB   GLN  26          1HB       GLN  26   5.287 -10.060 -10.060
  196   1HG   GLN  26          2HG       GLN  26   6.889 -11.578 -11.578
  197   2HG   GLN  26          1HG       GLN  26   6.395 -12.350 -12.350
  198   1HE2  GLN  26          2HE2      GLN  26  10.165 -11.820 -11.820
  199   2HE2  GLN  26          1HE2      GLN  26   9.086 -12.473 -12.473
  200    H    LEU  27           H        LEU  27   2.938 -10.120 -10.120
  201    HA   LEU  27           HA       LEU  27   2.281 -12.839 -12.839
  202   1HB   LEU  27          2HB       LEU  27   0.718 -10.273 -10.273
  203   2HB   LEU  27          1HB       LEU  27  -0.107 -11.817 -11.817
  204    HG   LEU  27           HG       LEU  27   2.249 -11.134 -11.134
  205   1HD1  LEU  27          3HD1      LEU  27  -0.528 -10.004 -10.004
  206   2HD1  LEU  27          2HD1      LEU  27   0.311 -10.377 -10.377
  207   3HD1  LEU  27          1HD1      LEU  27   1.011  -9.225  -9.225
  208   1HD2  LEU  27          3HD2      LEU  27   1.050 -13.420 -13.420
  209   2HD2  LEU  27          2HD2      LEU  27   1.285 -12.731 -12.731
  210   3HD2  LEU  27          1HD2      LEU  27  -0.291 -12.622 -12.622
  211    H    LYS  28           H        LYS  28   1.624 -10.658 -10.658
  212    HA   LYS  28           HA       LYS  28  -0.219 -12.299 -12.299
  213   1HB   LYS  28          2HB       LYS  28   1.637 -10.090 -10.090
  214   2HB   LYS  28          1HB       LYS  28   0.682 -10.981 -10.981
  215   1HG   LYS  28          2HG       LYS  28  -1.362 -10.464 -10.464
  216   2HG   LYS  28          1HG       LYS  28  -0.346  -9.374  -9.374
  217   1HD   LYS  28          2HD       LYS  28   0.114  -8.005  -8.005
  218   2HD   LYS  28          1HD       LYS  28  -0.634  -9.178  -9.178
  219   1HE   LYS  28          2HE       LYS  28  -2.789  -8.816  -8.816
  220   2HE   LYS  28          1HE       LYS  28  -1.987  -7.416  -7.416
  221   1HZ   LYS  28          2HZ       LYS  28  -2.099  -7.785  -7.785
  222   2HZ   LYS  28          1HZ       LYS  28  -3.387  -7.061  -7.061
  223   3HZ   LYS  28          3HZ       LYS  28  -1.846  -6.357  -6.357
  224    H    HIS  29           H        HIS  29   3.291 -12.191 -12.191
  225    HA   HIS  29           HA       HIS  29   3.753 -13.898 -13.898
  226   1HB   HIS  29          2HB       HIS  29   5.452 -13.254 -13.254
  227   2HB   HIS  29          1HB       HIS  29   6.011 -14.232 -14.232
  228    HD1  HIS  29           HD1      HIS  29   4.843 -12.685 -12.685
  229    HD2  HIS  29           HD2      HIS  29   6.701 -10.821 -10.821
  230    HE1  HIS  29           HE1      HIS  29   5.609 -10.416 -10.416
  231    H    LYS  30           H        LYS  30   3.386 -14.467 -14.467
  232    HA   LYS  30           HA       LYS  30   3.997 -17.229 -17.229
  233   1HB   LYS  30          2HB       LYS  30   3.839 -15.773 -15.773
  234   2HB   LYS  30          1HB       LYS  30   2.084 -15.836 -15.836
  235   1HG   LYS  30          2HG       LYS  30   1.962 -18.035 -18.035
  236   2HG   LYS  30          1HG       LYS  30   3.517 -18.442 -18.442
  237   1HD   LYS  30          2HD       LYS  30   3.570 -16.572 -16.572
  238   2HD   LYS  30          1HD       LYS  30   3.183 -18.259 -18.259
  239   1HE   LYS  30          2HE       LYS  30   5.472 -18.425 -18.425
  240   2HE   LYS  30          1HE       LYS  30   5.272 -18.643 -18.643
  241   1HZ   LYS  30          3HZ       LYS  30   5.709 -16.011 -16.011
  242   2HZ   LYS  30          2HZ       LYS  30   6.954 -16.954 -16.954
  243   3HZ   LYS  30          1HZ       LYS  30   5.715 -16.348 -16.348
  244    H    LEU  31           H        LEU  31   1.073 -15.427 -15.427
  245    HA   LEU  31           HA       LEU  31  -0.624 -17.774 -17.774
  246   1HB   LEU  31          2HB       LEU  31  -1.201 -15.184 -15.184
  247   2HB   LEU  31          1HB       LEU  31  -1.475 -15.268 -15.268
  248    HG   LEU  31           HG       LEU  31  -2.755 -17.518 -17.518
  249   1HD1  LEU  31          1HD1      LEU  31  -2.242 -17.169 -17.169
  250   2HD1  LEU  31          3HD1      LEU  31  -3.081 -15.618 -15.618
  251   3HD1  LEU  31          2HD1      LEU  31  -3.979 -17.116 -17.116
  252   1HD2  LEU  31          1HD2      LEU  31  -3.551 -15.363 -15.363
  253   2HD2  LEU  31          3HD2      LEU  31  -4.764 -16.322 -16.322
  254   3HD2  LEU  31          2HD2      LEU  31  -4.126 -14.855 -14.855
  255    H    GLU  32           H        GLU  32   0.906 -15.642 -15.642
  256    HA   GLU  32           HA       GLU  32  -0.179 -17.087 -17.087
  257   1HB   GLU  32          2HB       GLU  32   0.720 -14.573 -14.573
  258   2HB   GLU  32          1HB       GLU  32   2.205 -15.341 -15.341
  259   1HG   GLU  32          2HG       GLU  32  -0.374 -15.968 -15.968
  260   2HG   GLU  32          1HG       GLU  32   0.440 -14.441 -14.441
  261    H    GLN  33           H        GLN  33   3.203 -16.480 -16.480
  262    HA   GLN  33           HA       GLN  33   4.302 -18.552 -18.552
  263   1HB   GLN  33          2HB       GLN  33   5.428 -17.369 -17.369
  264   2HB   GLN  33          1HB       GLN  33   6.330 -18.250 -18.250
  265   1HG   GLN  33          2HG       GLN  33   4.726 -15.914 -15.914
  266   2HG   GLN  33          1HG       GLN  33   6.183 -15.567 -15.567
  267   1HE2  GLN  33          2HE2      GLN  33   6.875 -16.065 -16.065
  268   2HE2  GLN  33          1HE2      GLN  33   5.622 -15.217 -15.217
  269    H    LEU  34           H        LEU  34   3.579 -18.443 -18.443
  270    HA   LEU  34           HA       LEU  34   3.191 -20.114 -20.114
  271   1HB   LEU  34          2HB       LEU  34   2.301 -21.375 -21.375
  272   2HB   LEU  34          1HB       LEU  34   2.404 -22.362 -22.362
  273    HG   LEU  34           HG       LEU  34   0.958 -19.709 -19.709
  274   1HD1  LEU  34          2HD1      LEU  34   0.048 -22.437 -22.437
  275   2HD1  LEU  34          1HD1      LEU  34  -1.093 -21.367 -21.367
  276   3HD1  LEU  34          3HD1      LEU  34  -0.335 -20.861 -20.861
  277   1HD2  LEU  34          3HD2      LEU  34   1.759 -21.178 -21.178
  278   2HD2  LEU  34          2HD2      LEU  34   0.234 -20.292 -20.292
  279   3HD2  LEU  34          1HD2      LEU  34   0.250 -22.020 -22.020
  280   1HN   NH2  35          1HT       LEU  34   5.934 -19.820 -19.820
  281   2HN   NH2  35          2HT       LEU  34   6.686 -21.323 -21.323
  282   1H    ACE   2          1HA       ACE   2   4.356  22.139  22.139
  283   2H    ACE   2          2HA       ACE   2   3.208  21.231  21.231
  284   3H    ACE   2          3HA       ACE   2   4.423  20.377  20.377
  285    H    CYS   3           H        CYS   3   2.910  23.167  23.167
  286    HA   CYS   3           HA       CYS   3   1.545  21.450  21.450
  287   1HB   CYS   3          2HB       CYS   3   3.177  23.460  23.460
  288   2HB   CYS   3          1HB       CYS   3   1.720  24.421  24.421
  289    H    GLY   4           H        GLY   4  -0.446  20.940  20.940
  290   1HA   GLY   4          2HA       GLY   4  -2.274  23.169  23.169
  291   2HA   GLY   4          1HA       GLY   4  -2.198  21.788  21.788
  292    H    GLY   5           H        GLY   5  -3.346  19.991  19.991
  293   1HA   GLY   5          2HA       GLY   5  -5.223  20.105  20.105
  294   2HA   GLY   5          1HA       GLY   5  -5.149  18.865  18.865
  295    H    MET   6           H        MET   6  -3.072  20.080  20.080
  296    HA   MET   6           HA       MET   6  -1.699  17.659  17.659
  297   1HB   MET   6          2HB       MET   6  -1.096  18.625  18.625
  298   2HB   MET   6          1HB       MET   6  -0.853  19.768  19.768
  299   1HG   MET   6          2HG       MET   6  -3.378  20.418  20.418
  300   2HG   MET   6          1HG       MET   6  -2.888  19.797  19.797
  301   1HE   MET   6          1HE       MET   6  -3.997  22.238  22.238
  302   2HE   MET   6          3HE       MET   6  -3.025  23.493  23.493
  303   3HE   MET   6          2HE       MET   6  -3.156  23.439  23.439
  304    H    ARG   7           H        ARG   7  -4.705  18.934  18.934
  305    HA   ARG   7           HA       ARG   7  -5.085  17.023  17.023
  306   1HB   ARG   7          2HB       ARG   7  -6.416  19.243  19.243
  307   2HB   ARG   7          1HB       ARG   7  -7.464  18.061  18.061
  308   1HG   ARG   7          2HG       ARG   7  -8.418  17.980  17.980
  309   2HG   ARG   7          1HG       ARG   7  -7.118  16.824  16.824
  310   1HD   ARG   7          2HD       ARG   7  -6.748  19.780  19.780
  311   2HD   ARG   7          1HD       ARG   7  -7.397  18.718  18.718
  312    HE   ARG   7           HE       ARG   7  -4.651  18.860  18.860
  313   1HH1  ARG   7          1HH1      ARG   7  -7.095  16.827  16.827
  314   2HH1  ARG   7          2HH1      ARG   7  -5.939  15.818  15.818
  315   1HH2  ARG   7          1HH2      ARG   7  -3.177  17.520  17.520
  316   2HH2  ARG   7          2HH2      ARG   7  -3.740  16.206  16.206
  317    H    ARG   8           H        ARG   8  -5.816  17.003  17.003
  318    HA   ARG   8           HA       ARG   8  -7.411  14.640  14.640
  319   1HB   ARG   8          2HB       ARG   8  -5.940  16.175  16.175
  320   2HB   ARG   8          1HB       ARG   8  -6.651  14.603  14.603
  321   1HG   ARG   8          2HG       ARG   8  -8.803  15.373  15.373
  322   2HG   ARG   8          1HG       ARG   8  -8.377  16.529  16.529
  323   1HD   ARG   8          2HD       ARG   8  -8.699  18.025  18.025
  324   2HD   ARG   8          1HD       ARG   8  -7.015  17.627  17.627
  325    HE   ARG   8           HE       ARG   8  -8.428  15.763  15.763
  326   1HH1  ARG   8          1HH1      ARG   8  -8.439  19.260  19.260
  327   2HH1  ARG   8          2HH1      ARG   8  -8.925  19.447  19.447
  328   1HH2  ARG   8          1HH2      ARG   8  -9.062  16.054  16.054
  329   2HH2  ARG   8          2HH2      ARG   8  -9.276  17.650  17.650
  330    H    LYS   9           H        LYS   9  -3.969  15.280  15.280
  331    HA   LYS   9           HA       LYS   9  -3.262  12.584  12.584
  332   1HB   LYS   9          2HB       LYS   9  -1.795  15.081  15.081
  333   2HB   LYS   9          1HB       LYS   9  -0.943  13.558  13.558
  334   1HG   LYS   9          2HG       LYS   9  -1.650  12.919  12.919
  335   2HG   LYS   9          1HG       LYS   9  -2.148  14.599  14.599
  336   1HD   LYS   9          2HD       LYS   9   0.036  15.408  15.408
  337   2HD   LYS   9          1HD       LYS   9   0.604  13.987  13.987
  338   1HE   LYS   9          2HE       LYS   9   1.461  13.905  13.905
  339   2HE   LYS   9          1HE       LYS   9   0.265  12.627  12.627
  340   1HZ   LYS   9          2HZ       LYS   9  -0.442  15.293  15.293
  341   2HZ   LYS   9          1HZ       LYS   9   0.069  14.020  14.020
  342   3HZ   LYS   9          3HZ       LYS   9  -1.344  13.856  13.856
  343    H    ASN  10           H        ASN  10  -3.302  14.494  14.494
  344    HA   ASN  10           HA       ASN  10  -2.107  12.553  12.553
  345   1HB   ASN  10          2HB       ASN  10  -4.157  14.628  14.628
  346   2HB   ASN  10          1HB       ASN  10  -2.966  13.846  13.846
  347   1HD2  ASN  10          2HD2      ASN  10  -0.256  15.626  15.626
  348   2HD2  ASN  10          1HD2      ASN  10  -0.662  13.995  13.995
  349    H    ASP  11           H        ASP  11  -5.469  13.209  13.209
  350    HA   ASP  11           HA       ASP  11  -6.663  11.331  11.331
  351   1HB   ASP  11          2HB       ASP  11  -7.739  13.232  13.232
  352   2HB   ASP  11          1HB       ASP  11  -7.865  11.957  11.957
  353    H    THR  12           H        THR  12  -5.611  11.113  11.113
  354    HA   THR  12           HA       THR  12  -6.467   8.453   8.453
  355    HB   THR  12           HB       THR  12  -4.096   9.788   9.788
  356    HG1  THR  12           HG1      THR  12  -5.462  11.126  11.126
  357   1HG2  THR  12          2HG2      THR  12  -4.615   7.322   7.322
  358   2HG2  THR  12          1HG2      THR  12  -6.121   7.849   7.849
  359   3HG2  THR  12          3HG2      THR  12  -4.572   8.328   8.328
  360    H    HIS  13           H        HIS  13  -3.573   9.832   9.832
  361    HA   HIS  13           HA       HIS  13  -1.928   7.538   7.538
  362   1HB   HIS  13          2HB       HIS  13  -2.005  10.057  10.057
  363   2HB   HIS  13          1HB       HIS  13  -1.021   8.725   8.725
  364    HD1  HIS  13           HD1      HIS  13   0.399   7.565   7.565
  365    HD2  HIS  13           HD2      HIS  13  -0.453  11.646  11.646
  366    HE1  HIS  13           HE1      HIS  13   2.024   8.640   8.640
  367    H    GLN  14           H        GLN  14  -4.314   8.697   8.697
  368    HA   GLN  14           HA       GLN  14  -3.842   6.601   6.601
  369   1HB   GLN  14          2HB       GLN  14  -5.837   8.791   8.791
  370   2HB   GLN  14          1HB       GLN  14  -6.280   7.427   7.427
  371   1HG   GLN  14          2HG       GLN  14  -3.786   7.843   7.843
  372   2HG   GLN  14          1HG       GLN  14  -4.165   9.485   9.485
  373   1HE2  GLN  14          2HE2      GLN  14  -6.417   7.823   7.823
  374   2HE2  GLN  14          1HE2      GLN  14  -5.648   6.800   6.800
  375    H    GLN  15           H        GLN  15  -6.301   7.206   7.206
  376    HA   GLN  15           HA       GLN  15  -7.876   4.919   4.919
  377   1HB   GLN  15          2HB       GLN  15  -8.203   7.025   7.025
  378   2HB   GLN  15          1HB       GLN  15  -7.575   5.886   5.886
  379   1HG   GLN  15          2HG       GLN  15  -9.405   4.500   4.500
  380   2HG   GLN  15          1HG       GLN  15  -9.686   4.886   4.886
  381   1HE2  GLN  15          2HE2      GLN  15 -11.349   7.244   7.244
  382   2HE2  GLN  15          1HE2      GLN  15 -10.122   6.145   6.145
  383    H    ASP  16           H        ASP  16  -5.197   5.466   5.466
  384    HA   ASP  16           HA       ASP  16  -5.187   2.892   2.892
  385   1HB   ASP  16          2HB       ASP  16  -3.857   5.104   5.104
  386   2HB   ASP  16          1HB       ASP  16  -2.611   4.357   4.357
  387    H    ILE  17           H        ILE  17  -3.610   4.212   4.212
  388    HA   ILE  17           HA       ILE  17  -1.964   2.003   2.003
  389    HB   ILE  17           HB       ILE  17  -3.126   4.276   4.276
  390   1HG1  ILE  17          2HG1      ILE  17  -0.258   3.407   3.407
  391   2HG1  ILE  17          1HG1      ILE  17  -1.109   4.458   4.458
  392   1HG2  ILE  17          3HG2      ILE  17  -1.798   1.802   1.802
  393   2HG2  ILE  17          2HG2      ILE  17  -1.530   3.361   3.361
  394   3HG2  ILE  17          1HG2      ILE  17  -3.164   2.709   2.709
  395   1HD1  ILE  17          1HD1      ILE  17  -1.127   5.145   5.145
  396   2HD1  ILE  17          3HD1      ILE  17   0.305   5.514   5.514
  397   3HD1  ILE  17          2HD1      ILE  17  -1.254   6.213   6.213
  398    H    ASP  18           H        ASP  18  -4.831   2.950   2.950
  399    HA   ASP  18           HA       ASP  18  -5.265   0.626   0.626
  400   1HB   ASP  18          2HB       ASP  18  -6.973   2.892   2.892
  401   2HB   ASP  18          1HB       ASP  18  -7.844   1.424   1.424
  402    H    ASP  19           H        ASP  19  -6.123   1.314   1.314
  403    HA   ASP  19           HA       ASP  19  -7.806  -1.000  -1.000
  404   1HB   ASP  19          2HB       ASP  19  -7.832   1.146   1.146
  405   2HB   ASP  19          1HB       ASP  19  -6.416   0.481   0.481
  406    H    LEU  20           H        LEU  20  -4.402  -0.267  -0.267
  407    HA   LEU  20           HA       LEU  20  -3.714  -2.590  -2.590
  408   1HB   LEU  20          2HB       LEU  20  -2.174  -0.584  -0.584
  409   2HB   LEU  20          1HB       LEU  20  -1.383  -2.063  -2.063
  410    HG   LEU  20           HG       LEU  20  -2.923  -0.272  -0.272
  411   1HD1  LEU  20          3HD1      LEU  20  -0.911   0.822   0.822
  412   2HD1  LEU  20          2HD1      LEU  20   0.080  -0.287  -0.287
  413   3HD1  LEU  20          1HD1      LEU  20  -0.946   0.897   0.897
  414   1HD2  LEU  20          1HD2      LEU  20  -0.981  -2.568  -2.568
  415   2HD2  LEU  20          3HD2      LEU  20  -2.599  -2.419  -2.419
  416   3HD2  LEU  20          2HD2      LEU  20  -1.273  -1.455  -1.455
  417    H    LYS  21           H        LYS  21  -3.864  -1.823  -1.823
  418    HA   LYS  21           HA       LYS  21  -2.650  -4.194  -4.194
  419   1HB   LYS  21          2HB       LYS  21  -4.492  -2.146  -2.146
  420   2HB   LYS  21          1HB       LYS  21  -4.130  -3.626  -3.626
  421   1HG   LYS  21          2HG       LYS  21  -1.716  -3.161  -3.161
  422   2HG   LYS  21          1HG       LYS  21  -2.072  -1.681  -1.681
  423   1HD   LYS  21          2HD       LYS  21  -3.145  -0.687  -0.687
  424   2HD   LYS  21          1HD       LYS  21  -3.145  -2.216  -2.216
  425   1HE   LYS  21          2HE       LYS  21  -1.275  -1.283  -1.283
  426   2HE   LYS  21          1HE       LYS  21  -0.505  -2.004  -2.004
  427   1HZ   LYS  21          2HZ       LYS  21  -1.128   0.233   0.233
  428   2HZ   LYS  21          1HZ       LYS  21  -1.219   0.806   0.806
  429   3HZ   LYS  21          3HZ       LYS  21   0.234   0.155   0.155
  430    H    ARG  22           H        ARG  22  -6.078  -3.299  -3.299
  431    HA   ARG  22           HA       ARG  22  -7.175  -5.753  -5.753
  432   1HB   ARG  22          2HB       ARG  22  -9.195  -5.049  -5.049
  433   2HB   ARG  22          1HB       ARG  22  -8.570  -3.767  -3.767
  434   1HG   ARG  22          2HG       ARG  22  -7.452  -2.740  -2.740
  435   2HG   ARG  22          1HG       ARG  22  -7.981  -4.054  -4.054
  436   1HD   ARG  22          2HD       ARG  22  -9.825  -2.153  -2.153
  437   2HD   ARG  22          1HD       ARG  22  -9.426  -2.055  -2.055
  438    HE   ARG  22           HE       ARG  22 -10.783  -3.923  -3.923
  439   1HH1  ARG  22          1HH1      ARG  22 -10.518  -3.328  -3.328
  440   2HH1  ARG  22          2HH1      ARG  22 -11.858  -4.348  -4.348
  441   1HH2  ARG  22          1HH2      ARG  22 -12.516  -5.241  -5.241
  442   2HH2  ARG  22          2HH2      ARG  22 -12.978  -5.424  -5.424
  443    H    GLN  23           H        GLN  23  -5.856  -4.699  -4.699
  444    HA   GLN  23           HA       GLN  23  -6.850  -6.899  -6.899
  445   1HB   GLN  23          2HB       GLN  23  -6.106  -4.718  -4.718
  446   2HB   GLN  23          1HB       GLN  23  -4.447  -5.148  -5.148
  447   1HG   GLN  23          2HG       GLN  23  -4.865  -5.756  -5.756
  448   2HG   GLN  23          1HG       GLN  23  -4.692  -7.227  -7.227
  449   1HE2  GLN  23          2HE2      GLN  23  -7.697  -8.125  -8.125
  450   2HE2  GLN  23          1HE2      GLN  23  -6.007  -8.283  -8.283
  451    H    ASN  24           H        ASN  24  -3.565  -6.096  -6.096
  452    HA   ASN  24           HA       ASN  24  -2.405  -8.580  -8.580
  453   1HB   ASN  24          2HB       ASN  24  -1.668  -6.323  -6.323
  454   2HB   ASN  24          1HB       ASN  24  -0.795  -7.847  -7.847
  455   1HD2  ASN  24          2HD2      ASN  24   0.679  -5.535  -5.535
  456   2HD2  ASN  24          1HD2      ASN  24   0.123  -5.176  -5.176
  457    H    ALA  25           H        ALA  25  -4.245  -7.510  -7.510
  458    HA   ALA  25           HA       ALA  25  -3.546  -9.529  -9.529
  459   1HB   ALA  25          2HB       ALA  25  -6.133  -7.995  -7.995
  460   2HB   ALA  25          1HB       ALA  25  -5.780  -9.050  -9.050
  461   3HB   ALA  25          3HB       ALA  25  -4.801  -7.609  -7.609
  462    H    LEU  26           H        LEU  26  -6.406  -9.352  -9.352
  463    HA   LEU  26           HA       LEU  26  -7.338 -11.957 -11.957
  464   1HB   LEU  26          2HB       LEU  26  -7.812  -9.941  -9.941
  465   2HB   LEU  26          1HB       LEU  26  -8.336 -11.602 -11.602
  466    HG   LEU  26           HG       LEU  26  -9.345 -11.384 -11.384
  467   1HD1  LEU  26          3HD1      LEU  26  -8.246  -9.070  -9.070
  468   2HD1  LEU  26          2HD1      LEU  26  -9.493  -8.505  -8.505
  469   3HD1  LEU  26          1HD1      LEU  26  -9.947  -9.180  -9.180
  470   1HD2  LEU  26          2HD2      LEU  26 -10.445 -11.488 -11.488
  471   2HD2  LEU  26          1HD2      LEU  26 -11.419 -11.046 -11.046
  472   3HD2  LEU  26          3HD2      LEU  26 -10.807  -9.793  -9.793
  473    H    LEU  27           H        LEU  27  -5.323 -10.717 -10.717
  474    HA   LEU  27           HA       LEU  27  -5.011 -13.164 -13.164
  475   1HB   LEU  27          2HB       LEU  27  -3.475 -10.594 -10.594
  476   2HB   LEU  27          1HB       LEU  27  -2.771 -11.995 -11.995
  477    HG   LEU  27           HG       LEU  27  -5.174 -12.165 -12.165
  478   1HD1  LEU  27          1HD1      LEU  27  -6.076 -10.297 -10.297
  479   2HD1  LEU  27          3HD1      LEU  27  -4.939  -9.204  -9.204
  480   3HD1  LEU  27          2HD1      LEU  27  -6.210  -9.984  -9.984
  481   1HD2  LEU  27          2HD2      LEU  27  -2.832 -10.423 -10.423
  482   2HD2  LEU  27          1HD2      LEU  27  -3.424 -11.871 -11.871
  483   3HD2  LEU  27          3HD2      LEU  27  -4.274 -10.338 -10.338
  484    H    GLU  28           H        GLU  28  -2.806 -11.544 -11.544
  485    HA   GLU  28           HA       GLU  28  -0.866 -13.562 -13.562
  486   1HB   GLU  28          2HB       GLU  28  -0.634 -11.256 -11.256
  487   2HB   GLU  28          1HB       GLU  28  -1.711 -11.735 -11.735
  488   1HG   GLU  28          2HG       GLU  28   0.244 -12.306 -12.306
  489   2HG   GLU  28          1HG       GLU  28   0.067 -13.782 -13.782
  490    H    GLN  29           H        GLN  29  -3.783 -13.057 -13.057
  491    HA   GLN  29           HA       GLN  29  -3.458 -15.121 -15.121
  492   1HB   GLN  29          2HB       GLN  29  -5.262 -13.366 -13.366
  493   2HB   GLN  29          1HB       GLN  29  -6.097 -14.289 -14.289
  494   1HG   GLN  29          2HG       GLN  29  -7.077 -15.149 -15.149
  495   2HG   GLN  29          1HG       GLN  29  -5.768 -16.298 -16.298
  496   1HE2  GLN  29          2HE2      GLN  29  -5.747 -13.994 -13.994
  497   2HE2  GLN  29          1HE2      GLN  29  -7.025 -13.935 -13.935
  498    H    GLN  30           H        GLN  30  -4.446 -15.229 -15.229
  499    HA   GLN  30           HA       GLN  30  -5.221 -18.046 -18.046
  500   1HB   GLN  30          2HB       GLN  30  -6.323 -16.155 -16.155
  501   2HB   GLN  30          1HB       GLN  30  -5.034 -16.597 -16.597
  502   1HG   GLN  30          2HG       GLN  30  -5.749 -18.919 -18.919
  503   2HG   GLN  30          1HG       GLN  30  -6.952 -18.581 -18.581
  504   1HE2  GLN  30          2HE2      GLN  30  -9.328 -17.959 -17.959
  505   2HE2  GLN  30          1HE2      GLN  30  -8.942 -18.754 -18.754
  506    H    VAL  31           H        VAL  31  -2.615 -16.015 -16.015
  507    HA   VAL  31           HA       VAL  31  -1.291 -18.027 -18.027
  508    HB   VAL  31           HB       VAL  31  -0.142 -15.517 -15.517
  509   1HG1  VAL  31          3HG1      VAL  31   0.884 -17.588 -17.588
  510   2HG1  VAL  31          2HG1      VAL  31   1.273 -15.910 -15.910
  511   3HG1  VAL  31          1HG1      VAL  31   1.759 -16.601 -16.601
  512   1HG2  VAL  31          3HG2      VAL  31  -2.170 -15.695 -15.695
  513   2HG2  VAL  31          2HG2      VAL  31  -1.111 -14.307 -14.307
  514   3HG2  VAL  31          1HG2      VAL  31  -0.718 -15.513 -15.513
  515    H    ARG  32           H        ARG  32  -1.128 -16.958 -16.958
  516    HA   ARG  32           HA       ARG  32   1.236 -18.299 -18.299
  517   1HB   ARG  32          2HB       ARG  32   0.335 -18.192 -18.192
  518   2HB   ARG  32          1HB       ARG  32   0.228 -16.645 -16.645
  519   1HG   ARG  32          2HG       ARG  32  -2.120 -16.996 -16.996
  520   2HG   ARG  32          1HG       ARG  32  -2.050 -18.639 -18.639
  521   1HD   ARG  32          2HD       ARG  32  -1.646 -16.080 -16.080
  522   2HD   ARG  32          1HD       ARG  32  -3.016 -17.179 -17.179
  523    HE   ARG  32           HE       ARG  32  -0.434 -17.508 -17.508
  524   1HH1  ARG  32          1HH1      ARG  32  -3.228 -19.194 -19.194
  525   2HH1  ARG  32          2HH1      ARG  32  -2.971 -20.593 -20.593
  526   1HH2  ARG  32          1HH2      ARG  32  -0.134 -19.352 -19.352
  527   2HH2  ARG  32          2HH2      ARG  32  -1.235 -20.684 -20.684
  528    H    ALA  33           H        ALA  33  -2.062 -19.407 -19.407
  529    HA   ALA  33           HA       ALA  33  -1.802 -21.889 -21.889
  530   1HB   ALA  33          1HB       ALA  33  -3.981 -20.829 -20.829
  531   2HB   ALA  33          3HB       ALA  33  -3.627 -21.277 -21.277
  532   3HB   ALA  33          2HB       ALA  33  -3.843 -22.530 -22.530
  533    H    LEU  34           H        LEU  34  -1.069 -20.812 -20.812
  534    HA   LEU  34           HA       LEU  34  -0.361 -23.540 -23.540
  535   1HB   LEU  34          2HB       LEU  34  -0.907 -20.976 -20.976
  536   2HB   LEU  34          1HB       LEU  34   0.236 -22.090 -22.090
  537    HG   LEU  34           HG       LEU  34  -2.348 -23.186 -23.186
  538   1HD1  LEU  34          1HD1      LEU  34  -1.987 -21.515 -21.515
  539   2HD1  LEU  34          3HD1      LEU  34  -3.258 -22.731 -22.731
  540   3HD1  LEU  34          2HD1      LEU  34  -3.229 -21.368 -21.368
  541   1HD2  LEU  34          1HD2      LEU  34  -0.339 -23.818 -23.818
  542   2HD2  LEU  34          3HD2      LEU  34  -0.908 -24.847 -24.847
  543   3HD2  LEU  34          2HD2      LEU  34  -1.960 -24.510 -24.510
  544   1HN   NH2  35          1HT       LEU  34   1.621 -23.897 -23.897
  545   2HN   NH2  35          2HT       LEU  34   3.029 -23.006 -23.006

  Start of MODEL   38
    1   1H    ACE   2          1HA       ACE   2   5.161  27.261  27.261
    2   2H    ACE   2          2HA       ACE   2   5.467  26.159  26.159
    3   3H    ACE   2          3HA       ACE   2   4.263  27.438  27.438
    4    H    CYS   3           H        CYS   3   2.207  27.104  27.104
    5    HA   CYS   3           HA       CYS   3   0.340  25.954  25.954
    6   1HB   CYS   3          2HB       CYS   3   2.440  25.048  25.048
    7   2HB   CYS   3          1HB       CYS   3   0.894  24.201  24.201
    8    H    GLY   4           H        GLY   4   1.920  24.972  24.972
    9   1HA   GLY   4          2HA       GLY   4   1.585  23.208  23.208
   10   2HA   GLY   4          1HA       GLY   4   0.718  22.343  22.343
   11    H    GLY   5           H        GLY   5   1.686  20.572  20.572
   12   1HA   GLY   5          2HA       GLY   5   4.467  20.482  20.482
   13   2HA   GLY   5          1HA       GLY   5   4.133  19.584  19.584
   14    H    VAL   6           H        VAL   6   2.086  19.983  19.983
   15    HA   VAL   6           HA       VAL   6   1.354  17.252  17.252
   16    HB   VAL   6           HB       VAL   6  -0.015  19.066  19.066
   17   1HG1  VAL   6          3HG1      VAL   6   2.151  20.180  20.180
   18   2HG1  VAL   6          2HG1      VAL   6   1.845  19.136  19.136
   19   3HG1  VAL   6          1HG1      VAL   6   0.635  20.318  20.318
   20   1HG2  VAL   6          3HG2      VAL   6   0.791  16.614  16.614
   21   2HG2  VAL   6          2HG2      VAL   6  -0.816  17.181  17.181
   22   3HG2  VAL   6          1HG2      VAL   6  -0.027  17.818  17.818
   23    H    GLN   7           H        GLN   7   3.856  19.119  19.119
   24    HA   GLN   7           HA       GLN   7   4.652  17.190  17.190
   25   1HB   GLN   7          2HB       GLN   7   5.393  19.716  19.716
   26   2HB   GLN   7          1HB       GLN   7   6.723  18.929  18.929
   27   1HG   GLN   7          2HG       GLN   7   5.915  18.009  18.009
   28   2HG   GLN   7          1HG       GLN   7   6.993  19.390  19.390
   29   1HE2  GLN   7          2HE2      GLN   7   8.924  16.108  16.108
   30   2HE2  GLN   7          1HE2      GLN   7   7.694  16.719  16.719
   31    H    ALA   8           H        ALA   8   5.728  17.797  17.797
   32    HA   ALA   8           HA       ALA   8   7.760  15.830  15.830
   33   1HB   ALA   8          2HB       ALA   8   7.424  17.681  17.681
   34   2HB   ALA   8          1HB       ALA   8   6.092  16.735  16.735
   35   3HB   ALA   8          3HB       ALA   8   7.734  16.091  16.091
   36    H    GLU   9           H        GLU   9   4.381  15.744  15.744
   37    HA   GLU   9           HA       GLU   9   4.390  13.044  13.044
   38   1HB   GLU   9          2HB       GLU   9   2.243  15.001  15.001
   39   2HB   GLU   9          1HB       GLU   9   1.829  13.303  13.303
   40   1HG   GLU   9          2HG       GLU   9   3.552  14.604  14.604
   41   2HG   GLU   9          1HG       GLU   9   1.841  15.033  15.033
   42    H    GLU  10           H        GLU  10   3.866  14.578  14.578
   43    HA   GLU  10           HA       GLU  10   2.748  12.385  12.385
   44   1HB   GLU  10          2HB       GLU  10   2.954  14.819  14.819
   45   2HB   GLU  10          1HB       GLU  10   4.599  14.398  14.398
   46   1HG   GLU  10          2HG       GLU  10   3.400  12.343  12.343
   47   2HG   GLU  10          1HG       GLU  10   1.997  13.410  13.410
   48    H    GLN  11           H        GLN  11   6.105  13.403  13.403
   49    HA   GLN  11           HA       GLN  11   7.347  11.465  11.465
   50   1HB   GLN  11          2HB       GLN  11   8.203  13.189  13.189
   51   2HB   GLN  11          1HB       GLN  11   9.231  11.816  11.816
   52   1HG   GLN  11          2HG       GLN  11   8.248  13.513  13.513
   53   2HG   GLN  11          1HG       GLN  11   9.505  14.188  14.188
   54   1HE2  GLN  11          2HE2      GLN  11  10.669  11.692  11.692
   55   2HE2  GLN  11          1HE2      GLN  11   9.262  12.640  12.640
   56    H    LYS  12           H        LYS  12   6.273  11.388  11.388
   57    HA   LYS  12           HA       LYS  12   7.364   8.758   8.758
   58   1HB   LYS  12          2HB       LYS  12   6.811  10.692  10.692
   59   2HB   LYS  12          1HB       LYS  12   5.205   9.961   9.961
   60   1HG   LYS  12          2HG       LYS  12   7.554   8.138   8.138
   61   2HG   LYS  12          1HG       LYS  12   7.106   9.122   9.122
   62   1HD   LYS  12          2HD       LYS  12   4.664   8.262   8.262
   63   2HD   LYS  12          1HD       LYS  12   5.578   6.933   6.933
   64   1HE   LYS  12          2HE       LYS  12   5.825   7.905   7.905
   65   2HE   LYS  12          1HE       LYS  12   4.987   6.441   6.441
   66   1HZ   LYS  12          2HZ       LYS  12   7.156   5.756   5.756
   67   2HZ   LYS  12          1HZ       LYS  12   7.882   7.040   7.040
   68   3HZ   LYS  12          3HZ       LYS  12   7.132   5.785   5.785
   69    H    LEU  13           H        LEU  13   4.299  10.133  10.133
   70    HA   LEU  13           HA       LEU  13   2.700   7.817   7.817
   71   1HB   LEU  13          2HB       LEU  13   2.402  10.336  10.336
   72   2HB   LEU  13          1HB       LEU  13   1.282   9.001   9.001
   73    HG   LEU  13           HG       LEU  13   1.815   9.721   9.721
   74   1HD1  LEU  13          3HD1      LEU  13   1.448  11.857  11.857
   75   2HD1  LEU  13          2HD1      LEU  13  -0.235  11.336  11.336
   76   3HD1  LEU  13          1HD1      LEU  13   0.636  11.716  11.716
   77   1HD2  LEU  13          1HD2      LEU  13   0.184   7.951   7.951
   78   2HD2  LEU  13          3HD2      LEU  13  -0.316   8.846   8.846
   79   3HD2  LEU  13          2HD2      LEU  13  -0.873   9.354   9.354
   80    H    ILE  14           H        ILE  14   4.347   9.125   9.125
   81    HA   ILE  14           HA       ILE  14   3.538   7.117   7.117
   82    HB   ILE  14           HB       ILE  14   6.101   8.736   8.736
   83   1HG1  ILE  14          2HG1      ILE  14   3.644   9.385   9.385
   84   2HG1  ILE  14          1HG1      ILE  14   3.704   9.863   9.863
   85   1HG2  ILE  14          3HG2      ILE  14   6.016   6.744   6.744
   86   2HG2  ILE  14          2HG2      ILE  14   4.573   7.434   7.434
   87   3HG2  ILE  14          1HG2      ILE  14   6.114   8.285   8.285
   88   1HD1  ILE  14          1HD1      ILE  14   6.127  10.457  10.457
   89   2HD1  ILE  14          3HD1      ILE  14   4.688  11.406  11.406
   90   3HD1  ILE  14          2HD1      ILE  14   5.351  11.417  11.417
   91    H    SER  15           H        SER  15   6.546   7.452   7.452
   92    HA   SER  15           HA       SER  15   7.763   5.069   5.069
   93   1HB   SER  15          2HB       SER  15   8.049   6.198   6.198
   94   2HB   SER  15          1HB       SER  15   9.246   5.323   5.323
   95    HG   SER  15           HG       SER  15   9.112   7.125   7.125
   96    H    GLU  16           H        GLU  16   5.283   5.668   5.668
   97    HA   GLU  16           HA       GLU  16   5.453   3.147   3.147
   98   1HB   GLU  16          2HB       GLU  16   3.507   5.396   5.396
   99   2HB   GLU  16          1HB       GLU  16   2.906   3.830   3.830
  100   1HG   GLU  16          2HG       GLU  16   4.608   3.708   3.708
  101   2HG   GLU  16          1HG       GLU  16   5.384   5.172   5.172
  102    H    GLU  17           H        GLU  17   3.082   4.402   4.402
  103    HA   GLU  17           HA       GLU  17   1.747   1.964   1.964
  104   1HB   GLU  17          2HB       GLU  17   0.953   3.003   3.003
  105   2HB   GLU  17          1HB       GLU  17   0.765   4.068   4.068
  106   1HG   GLU  17          2HG       GLU  17   2.774   5.296   5.296
  107   2HG   GLU  17          1HG       GLU  17   3.123   4.162   4.162
  108    H    ASP  18           H        ASP  18   4.679   3.296   3.296
  109    HA   ASP  18           HA       ASP  18   4.938   1.590   1.590
  110   1HB   ASP  18          2HB       ASP  18   6.337   3.679   3.679
  111   2HB   ASP  18          1HB       ASP  18   7.309   2.538   2.538
  112    H    LEU  19           H        LEU  19   5.968   1.255   1.255
  113    HA   LEU  19           HA       LEU  19   7.402  -1.164  -1.164
  114   1HB   LEU  19          2HB       LEU  19   7.198   0.494   0.494
  115   2HB   LEU  19          1HB       LEU  19   5.884  -0.585  -0.585
  116    HG   LEU  19           HG       LEU  19   8.510  -1.772  -1.772
  117   1HD1  LEU  19          3HD1      LEU  19   8.963   0.057   0.057
  118   2HD1  LEU  19          2HD1      LEU  19   7.915  -0.807  -0.807
  119   3HD1  LEU  19          1HD1      LEU  19   9.401  -1.560  -1.560
  120   1HD2  LEU  19          2HD2      LEU  19   6.078  -2.524  -2.524
  121   2HD2  LEU  19          1HD2      LEU  19   7.044  -3.493  -3.493
  122   3HD2  LEU  19          3HD2      LEU  19   7.611  -3.214  -3.214
  123    H    LEU  20           H        LEU  20   3.998  -0.446  -0.446
  124    HA   LEU  20           HA       LEU  20   3.154  -3.099  -3.099
  125   1HB   LEU  20          2HB       LEU  20   1.821  -0.556  -0.556
  126   2HB   LEU  20          1HB       LEU  20   0.924  -2.051  -2.051
  127    HG   LEU  20           HG       LEU  20   2.283  -1.472  -1.472
  128   1HD1  LEU  20          2HD1      LEU  20   0.543   0.309   0.309
  129   2HD1  LEU  20          1HD1      LEU  20  -0.642  -0.955  -0.955
  130   3HD1  LEU  20          3HD1      LEU  20   0.390  -0.355  -0.355
  131   1HD2  LEU  20          1HD2      LEU  20   1.543  -3.791  -3.791
  132   2HD2  LEU  20          3HD2      LEU  20   0.640  -3.098  -3.098
  133   3HD2  LEU  20          2HD2      LEU  20  -0.096  -3.192  -3.192
  134    H    ARG  21           H        ARG  21   3.613  -1.279  -1.279
  135    HA   ARG  21           HA       ARG  21   2.324  -3.057  -3.057
  136   1HB   ARG  21          2HB       ARG  21   4.706  -1.261  -1.261
  137   2HB   ARG  21          1HB       ARG  21   3.666  -1.991  -1.991
  138   1HG   ARG  21          2HG       ARG  21   1.775  -0.802  -0.802
  139   2HG   ARG  21          1HG       ARG  21   3.122   0.293   0.293
  140   1HD   ARG  21          2HD       ARG  21   1.998  -0.468  -0.468
  141   2HD   ARG  21          1HD       ARG  21   1.929   1.114   1.114
  142    HE   ARG  21           HE       ARG  21   4.634   0.257   0.257
  143   1HH1  ARG  21          1HH1      ARG  21   1.917   1.512   1.512
  144   2HH1  ARG  21          2HH1      ARG  21   2.917   2.248   2.248
  145   1HH2  ARG  21          1HH2      ARG  21   5.900   1.232   1.232
  146   2HH2  ARG  21          2HH2      ARG  21   5.152   2.092   2.092
  147    H    LYS  22           H        LYS  22   5.632  -2.916  -2.916
  148    HA   LYS  22           HA       LYS  22   6.744  -4.941  -4.941
  149   1HB   LYS  22          2HB       LYS  22   7.973  -3.310  -3.310
  150   2HB   LYS  22          1HB       LYS  22   7.561  -4.417  -4.417
  151   1HG   LYS  22          2HG       LYS  22   8.536  -6.211  -6.211
  152   2HG   LYS  22          1HG       LYS  22   9.439  -4.800  -4.800
  153   1HD   LYS  22          2HD       LYS  22  10.875  -5.493  -5.493
  154   2HD   LYS  22          1HD       LYS  22   9.796  -4.501  -4.501
  155   1HE   LYS  22          2HE       LYS  22   8.402  -6.739  -6.739
  156   2HE   LYS  22          1HE       LYS  22   9.950  -7.488  -7.488
  157   1HZ   LYS  22          1HZ       LYS  22   9.514  -5.553  -5.553
  158   2HZ   LYS  22          3HZ       LYS  22   9.598  -7.236  -7.236
  159   3HZ   LYS  22          2HZ       LYS  22  10.959  -6.376  -6.376
  160    H    ARG  23           H        ARG  23   5.145  -5.059  -5.059
  161    HA   ARG  23           HA       ARG  23   5.494  -7.881  -7.881
  162   1HB   ARG  23          2HB       ARG  23   4.858  -5.925  -5.925
  163   2HB   ARG  23          1HB       ARG  23   3.230  -6.491  -6.491
  164   1HG   ARG  23          2HG       ARG  23   5.389  -8.476  -8.476
  165   2HG   ARG  23          1HG       ARG  23   4.544  -7.625  -7.625
  166   1HD   ARG  23          2HD       ARG  23   2.387  -8.347  -8.347
  167   2HD   ARG  23          1HD       ARG  23   3.444  -9.547  -9.547
  168    HE   ARG  23           HE       ARG  23   2.420  -9.597  -9.597
  169   1HH1  ARG  23          1HH1      ARG  23   5.178 -10.470 -10.470
  170   2HH1  ARG  23          2HH1      ARG  23   5.668 -11.750 -11.750
  171   1HH2  ARG  23          1HH2      ARG  23   3.094 -11.275 -11.275
  172   2HH2  ARG  23          2HH2      ARG  23   4.500 -12.205 -12.205
  173    H    ARG  24           H        ARG  24   3.022  -5.819  -5.819
  174    HA   ARG  24           HA       ARG  24   0.946  -7.723  -7.723
  175   1HB   ARG  24          2HB       ARG  24   0.698  -5.250  -5.250
  176   2HB   ARG  24          1HB       ARG  24   1.509  -5.460  -5.460
  177   1HG   ARG  24          2HG       ARG  24  -0.246  -7.157  -7.157
  178   2HG   ARG  24          1HG       ARG  24  -1.100  -6.728  -6.728
  179   1HD   ARG  24          2HD       ARG  24  -0.998  -4.303  -4.303
  180   2HD   ARG  24          1HD       ARG  24  -0.535  -4.982  -4.982
  181    HE   ARG  24           HE       ARG  24  -2.846  -6.323  -6.323
  182   1HH1  ARG  24          1HH1      ARG  24  -1.878  -3.072  -3.072
  183   2HH1  ARG  24          2HH1      ARG  24  -3.446  -2.640  -2.640
  184   1HH2  ARG  24          1HH2      ARG  24  -4.873  -5.720  -5.720
  185   2HH2  ARG  24          2HH2      ARG  24  -5.128  -4.126  -4.126
  186    H    GLU  25           H        GLU  25   3.702  -6.972  -6.972
  187    HA   GLU  25           HA       GLU  25   2.914  -8.622  -8.622
  188   1HB   GLU  25          2HB       GLU  25   5.584  -7.492  -7.492
  189   2HB   GLU  25          1HB       GLU  25   5.377  -8.466  -8.466
  190   1HG   GLU  25          2HG       GLU  25   3.941  -6.874  -6.874
  191   2HG   GLU  25          1HG       GLU  25   3.649  -6.050  -6.050
  192    H    GLN  26           H        GLN  26   5.084  -9.098  -9.098
  193    HA   GLN  26           HA       GLN  26   5.970 -11.688 -11.688
  194   1HB   GLN  26          2HB       GLN  26   5.775 -10.151 -10.151
  195   2HB   GLN  26          1HB       GLN  26   6.227 -11.856 -11.856
  196   1HG   GLN  26          2HG       GLN  26   7.891 -11.112 -11.112
  197   2HG   GLN  26          1HG       GLN  26   7.695  -9.525  -9.525
  198   1HE2  GLN  26          2HE2      GLN  26   9.371 -12.512 -12.512
  199   2HE2  GLN  26          1HE2      GLN  26   8.243 -12.930 -12.930
  200    H    LEU  27           H        LEU  27   3.067 -10.530 -10.530
  201    HA   LEU  27           HA       LEU  27   2.185 -13.031 -13.031
  202   1HB   LEU  27          2HB       LEU  27   0.863 -10.402 -10.402
  203   2HB   LEU  27          1HB       LEU  27  -0.127 -11.810 -11.810
  204    HG   LEU  27           HG       LEU  27   2.191 -10.874 -10.874
  205   1HD1  LEU  27          3HD1      LEU  27   0.168  -9.280  -9.280
  206   2HD1  LEU  27          2HD1      LEU  27  -0.741 -10.526 -10.526
  207   3HD1  LEU  27          1HD1      LEU  27   0.645  -9.760  -9.760
  208   1HD2  LEU  27          2HD2      LEU  27   0.156 -13.063 -13.063
  209   2HD2  LEU  27          1HD2      LEU  27   1.847 -13.077 -13.077
  210   3HD2  LEU  27          3HD2      LEU  27   0.633 -12.302 -12.302
  211    H    LYS  28           H        LYS  28   1.159 -11.190 -11.190
  212    HA   LYS  28           HA       LYS  28  -0.514 -13.198 -13.198
  213   1HB   LYS  28          2HB       LYS  28  -0.269 -11.970 -11.970
  214   2HB   LYS  28          1HB       LYS  28  -0.677 -10.913 -10.913
  215   1HG   LYS  28          2HG       LYS  28   1.595 -10.156 -10.156
  216   2HG   LYS  28          1HG       LYS  28   2.167 -11.385 -11.385
  217   1HD   LYS  28          2HD       LYS  28   0.102  -9.365  -9.365
  218   2HD   LYS  28          1HD       LYS  28   1.821  -8.968  -8.968
  219   1HE   LYS  28          2HE       LYS  28   2.298 -10.644 -10.644
  220   2HE   LYS  28          1HE       LYS  28   0.797 -11.510 -11.510
  221   1HZ   LYS  28          3HZ       LYS  28   0.973  -8.817  -8.817
  222   2HZ   LYS  28          2HZ       LYS  28   0.721 -10.268 -10.268
  223   3HZ   LYS  28          1HZ       LYS  28  -0.444  -9.714  -9.714
  224    H    HIS  29           H        HIS  29   2.942 -12.680 -12.680
  225    HA   HIS  29           HA       HIS  29   3.481 -14.394 -14.394
  226   1HB   HIS  29          2HB       HIS  29   5.136 -13.354 -13.354
  227   2HB   HIS  29          1HB       HIS  29   5.796 -14.537 -14.537
  228    HD1  HIS  29           HD1      HIS  29   4.538 -13.542 -13.542
  229    HD2  HIS  29           HD2      HIS  29   6.290 -11.005 -11.005
  230    HE1  HIS  29           HE1      HIS  29   5.187 -11.434 -11.434
  231    H    LYS  30           H        LYS  30   3.047 -14.936 -14.936
  232    HA   LYS  30           HA       LYS  30   4.006 -17.637 -17.637
  233   1HB   LYS  30          2HB       LYS  30   2.439 -15.942 -15.942
  234   2HB   LYS  30          1HB       LYS  30   2.557 -17.682 -17.682
  235   1HG   LYS  30          2HG       LYS  30   5.080 -16.218 -16.218
  236   2HG   LYS  30          1HG       LYS  30   4.383 -15.988 -15.988
  237   1HD   LYS  30          2HD       LYS  30   4.773 -18.739 -18.739
  238   2HD   LYS  30          1HD       LYS  30   6.048 -17.930 -17.930
  239   1HE   LYS  30          2HE       LYS  30   4.770 -17.898 -17.898
  240   2HE   LYS  30          1HE       LYS  30   3.261 -18.196 -18.196
  241   1HZ   LYS  30          2HZ       LYS  30   5.491 -20.146 -20.146
  242   2HZ   LYS  30          1HZ       LYS  30   4.209 -20.154 -20.154
  243   3HZ   LYS  30          3HZ       LYS  30   3.902 -20.410 -20.410
  244    H    LEU  31           H        LEU  31   0.846 -16.102 -16.102
  245    HA   LEU  31           HA       LEU  31  -0.545 -18.644 -18.644
  246   1HB   LEU  31          2HB       LEU  31  -1.465 -15.799 -15.799
  247   2HB   LEU  31          1HB       LEU  31  -2.527 -17.206 -17.206
  248    HG   LEU  31           HG       LEU  31  -0.847 -16.528 -16.528
  249   1HD1  LEU  31          2HD1      LEU  31  -2.913 -15.004 -15.004
  250   2HD1  LEU  31          1HD1      LEU  31  -3.813 -16.266 -16.266
  251   3HD1  LEU  31          3HD1      LEU  31  -2.594 -15.329 -15.329
  252   1HD2  LEU  31          1HD2      LEU  31  -2.748 -18.690 -18.690
  253   2HD2  LEU  31          3HD2      LEU  31  -1.338 -18.758 -18.758
  254   3HD2  LEU  31          2HD2      LEU  31  -2.857 -18.089 -18.089
  255    H    GLU  32           H        GLU  32   1.024 -16.512 -16.512
  256    HA   GLU  32           HA       GLU  32  -0.476 -17.492 -17.492
  257   1HB   GLU  32          2HB       GLU  32   0.330 -15.118 -15.118
  258   2HB   GLU  32          1HB       GLU  32   1.979 -15.726 -15.726
  259   1HG   GLU  32          2HG       GLU  32   1.083 -16.957 -16.957
  260   2HG   GLU  32          1HG       GLU  32  -0.236 -15.789 -15.789
  261    H    GLN  33           H        GLN  33   3.041 -17.278 -17.278
  262    HA   GLN  33           HA       GLN  33   3.379 -19.743 -19.743
  263   1HB   GLN  33          2HB       GLN  33   4.696 -17.691 -17.691
  264   2HB   GLN  33          1HB       GLN  33   5.529 -17.839 -17.839
  265   1HG   GLN  33          2HG       GLN  33   6.320 -20.075 -20.075
  266   2HG   GLN  33          1HG       GLN  33   5.436 -19.992 -19.992
  267   1HE2  GLN  33          2HE2      GLN  33   7.679 -17.381 -17.381
  268   2HE2  GLN  33          1HE2      GLN  33   6.010 -17.654 -17.654
  269    H    LEU  34           H        LEU  34   5.091 -18.340 -18.340
  270    HA   LEU  34           HA       LEU  34   5.913 -20.896 -20.896
  271   1HB   LEU  34          2HB       LEU  34   6.043 -18.091 -18.091
  272   2HB   LEU  34          1HB       LEU  34   6.330 -19.419 -19.419
  273    HG   LEU  34           HG       LEU  34   8.004 -20.337 -20.337
  274   1HD1  LEU  34          3HD1      LEU  34   7.418 -17.653 -17.653
  275   2HD1  LEU  34          2HD1      LEU  34   8.891 -18.565 -18.565
  276   3HD1  LEU  34          1HD1      LEU  34   7.319 -19.247 -19.247
  277   1HD2  LEU  34          1HD2      LEU  34   8.260 -17.804 -17.804
  278   2HD2  LEU  34          3HD2      LEU  34   9.134 -19.326 -19.326
  279   3HD2  LEU  34          2HD2      LEU  34   9.581 -18.200 -18.200
  280   1HN   NH2  35          1HT       LEU  34   3.397 -21.597 -21.597
  281   2HN   NH2  35          2HT       LEU  34   2.566 -21.528 -21.528
  282   1H    ACE   2          1HA       ACE   2   2.564  26.879  26.879
  283   2H    ACE   2          2HA       ACE   2   1.372  27.783  27.783
  284   3H    ACE   2          3HA       ACE   2   1.652  26.077  26.077
  285    H    CYS   3           H        CYS   3   1.562  24.806  24.806
  286    HA   CYS   3           HA       CYS   3   0.158  23.931  23.931
  287   1HB   CYS   3          2HB       CYS   3  -0.700  26.823  26.823
  288   2HB   CYS   3          1HB       CYS   3  -1.140  25.540  25.540
  289    H    GLY   4           H        GLY   4  -1.002  22.710  22.710
  290   1HA   GLY   4          2HA       GLY   4  -3.527  23.872  23.872
  291   2HA   GLY   4          1HA       GLY   4  -2.768  22.403  22.403
  292    H    GLY   5           H        GLY   5  -4.058  20.736  20.736
  293   1HA   GLY   5          2HA       GLY   5  -5.899  20.682  20.682
  294   2HA   GLY   5          1HA       GLY   5  -5.586  19.367  19.367
  295    H    MET   6           H        MET   6  -5.007  20.606  20.606
  296    HA   MET   6           HA       MET   6  -2.650  19.057  19.057
  297   1HB   MET   6          2HB       MET   6  -4.624  20.344  20.344
  298   2HB   MET   6          1HB       MET   6  -3.006  19.766  19.766
  299   1HG   MET   6          2HG       MET   6  -1.952  21.492  21.492
  300   2HG   MET   6          1HG       MET   6  -3.337  21.763  21.763
  301   1HE   MET   6          3HE       MET   6  -2.474  21.239  21.239
  302   2HE   MET   6          2HE       MET   6  -1.914  22.879  22.879
  303   3HE   MET   6          1HE       MET   6  -3.456  22.340  22.340
  304    H    ARG   7           H        ARG   7  -5.990  18.892  18.892
  305    HA   ARG   7           HA       ARG   7  -5.695  16.325  16.325
  306   1HB   ARG   7          2HB       ARG   7  -8.007  18.088  18.088
  307   2HB   ARG   7          1HB       ARG   7  -8.328  16.393  16.393
  308   1HG   ARG   7          2HG       ARG   7  -6.577  18.060  18.060
  309   2HG   ARG   7          1HG       ARG   7  -8.332  18.083  18.083
  310   1HD   ARG   7          2HD       ARG   7  -6.823  15.479  15.479
  311   2HD   ARG   7          1HD       ARG   7  -6.995  16.365  16.365
  312    HE   ARG   7           HE       ARG   7  -9.550  16.158  16.158
  313   1HH1  ARG   7          1HH1      ARG   7  -7.047  14.001  14.001
  314   2HH1  ARG   7          2HH1      ARG   7  -8.168  12.778  12.778
  315   1HH2  ARG   7          1HH2      ARG   7 -10.977  14.536  14.536
  316   2HH2  ARG   7          2HH2      ARG   7 -10.374  13.077  13.077
  317    H    ARG   8           H        ARG   8  -6.642  17.419  17.419
  318    HA   ARG   8           HA       ARG   8  -7.718  14.988  14.988
  319   1HB   ARG   8          2HB       ARG   8  -6.488  17.391  17.391
  320   2HB   ARG   8          1HB       ARG   8  -6.954  15.976  15.976
  321   1HG   ARG   8          2HG       ARG   8  -9.247  16.136  16.136
  322   2HG   ARG   8          1HG       ARG   8  -8.809  17.469  17.469
  323   1HD   ARG   8          2HD       ARG   8  -8.447  18.951  18.951
  324   2HD   ARG   8          1HD       ARG   8  -8.328  17.640  17.640
  325    HE   ARG   8           HE       ARG   8 -10.726  18.952  18.952
  326   1HH1  ARG   8          1HH1      ARG   8  -9.444  15.827  15.827
  327   2HH1  ARG   8          2HH1      ARG   8 -10.969  15.245  15.245
  328   1HH2  ARG   8          1HH2      ARG   8 -12.692  18.155  18.155
  329   2HH2  ARG   8          2HH2      ARG   8 -12.793  16.551  16.551
  330    H    LYS   9           H        LYS   9  -4.441  16.216  16.216
  331    HA   LYS   9           HA       LYS   9  -3.239  14.152  14.152
  332   1HB   LYS   9          2HB       LYS   9  -2.318  16.526  16.526
  333   2HB   LYS   9          1HB       LYS   9  -1.695  15.619  15.619
  334   1HG   LYS   9          2HG       LYS   9  -0.619  14.017  14.017
  335   2HG   LYS   9          1HG       LYS   9  -1.188  14.990  14.990
  336   1HD   LYS   9          2HD       LYS   9   0.312  16.414  16.414
  337   2HD   LYS   9          1HD       LYS   9   1.241  15.347  15.347
  338   1HE   LYS   9          2HE       LYS   9  -0.706  17.314  17.314
  339   2HE   LYS   9          1HE       LYS   9   0.911  17.839  17.839
  340   1HZ   LYS   9          3HZ       LYS   9   1.712  15.859  15.859
  341   2HZ   LYS   9          2HZ       LYS   9   0.147  15.802  15.802
  342   3HZ   LYS   9          1HZ       LYS   9   1.112  17.185  17.185
  343    H    ASN  10           H        ASN  10  -3.372  14.803  14.803
  344    HA   ASN  10           HA       ASN  10  -2.071  12.433  12.433
  345   1HB   ASN  10          2HB       ASN  10  -4.166  13.992  13.992
  346   2HB   ASN  10          1HB       ASN  10  -2.966  12.892  12.892
  347   1HD2  ASN  10          2HD2      ASN  10  -0.275  15.268  15.268
  348   2HD2  ASN  10          1HD2      ASN  10  -0.660  13.661  13.661
  349    H    ASP  11           H        ASP  11  -5.435  13.176  13.176
  350    HA   ASP  11           HA       ASP  11  -6.596  10.817  10.817
  351   1HB   ASP  11          2HB       ASP  11  -7.425  12.852  12.852
  352   2HB   ASP  11          1HB       ASP  11  -8.343  11.351  11.351
  353    H    THR  12           H        THR  12  -5.221  11.607  11.607
  354    HA   THR  12           HA       THR  12  -5.962   9.245   9.245
  355    HB   THR  12           HB       THR  12  -3.413  10.795  10.795
  356    HG1  THR  12           HG1      THR  12  -4.590  12.380  12.380
  357   1HG2  THR  12          2HG2      THR  12  -4.204   8.536   8.536
  358   2HG2  THR  12          1HG2      THR  12  -5.168   9.668   9.668
  359   3HG2  THR  12          3HG2      THR  12  -3.413   9.827   9.827
  360    H    HIS  13           H        HIS  13  -3.308  10.001  10.001
  361    HA   HIS  13           HA       HIS  13  -1.901   7.523   7.523
  362   1HB   HIS  13          2HB       HIS  13  -1.573   9.642   9.642
  363   2HB   HIS  13          1HB       HIS  13  -0.522   8.236   8.236
  364    HD1  HIS  13           HD1      HIS  13   0.501   7.999   7.999
  365    HD2  HIS  13           HD2      HIS  13  -0.685  11.789  11.789
  366    HE1  HIS  13           HE1      HIS  13   1.633   9.660   9.660
  367    H    GLN  14           H        GLN  14  -4.212   8.772   8.772
  368    HA   GLN  14           HA       GLN  14  -3.981   6.663   6.663
  369   1HB   GLN  14          2HB       GLN  14  -5.090   8.975   8.975
  370   2HB   GLN  14          1HB       GLN  14  -6.500   8.244   8.244
  371   1HG   GLN  14          2HG       GLN  14  -6.745   7.994   7.994
  372   2HG   GLN  14          1HG       GLN  14  -6.386   6.406   6.406
  373   1HE2  GLN  14          2HE2      GLN  14  -3.692   6.072   6.072
  374   2HE2  GLN  14          1HE2      GLN  14  -5.062   5.373   5.373
  375    H    GLN  15           H        GLN  15  -6.125   7.242   7.242
  376    HA   GLN  15           HA       GLN  15  -7.718   4.910   4.910
  377   1HB   GLN  15          2HB       GLN  15  -7.226   6.684   6.684
  378   2HB   GLN  15          1HB       GLN  15  -8.312   5.295   5.295
  379   1HG   GLN  15          2HG       GLN  15  -9.462   6.303   6.303
  380   2HG   GLN  15          1HG       GLN  15  -8.548   7.774   7.774
  381   1HE2  GLN  15          2HE2      GLN  15 -11.034   8.784   8.784
  382   2HE2  GLN  15          1HE2      GLN  15 -10.006   9.193   9.193
  383    H    ASP  16           H        ASP  16  -5.025   5.641   5.641
  384    HA   ASP  16           HA       ASP  16  -4.867   3.108   3.108
  385   1HB   ASP  16          2HB       ASP  16  -3.627   5.386   5.386
  386   2HB   ASP  16          1HB       ASP  16  -2.370   4.677   4.677
  387    H    ILE  17           H        ILE  17  -3.389   4.396   4.396
  388    HA   ILE  17           HA       ILE  17  -1.693   2.196   2.196
  389    HB   ILE  17           HB       ILE  17  -2.859   4.435   4.435
  390   1HG1  ILE  17          2HG1      ILE  17   0.007   3.593   3.593
  391   2HG1  ILE  17          1HG1      ILE  17  -0.869   4.684   4.684
  392   1HG2  ILE  17          3HG2      ILE  17  -1.538   1.937   1.937
  393   2HG2  ILE  17          2HG2      ILE  17  -1.197   3.475   3.475
  394   3HG2  ILE  17          1HG2      ILE  17  -2.853   2.876   2.876
  395   1HD1  ILE  17          3HD1      ILE  17  -1.344   6.144   6.144
  396   2HD1  ILE  17          2HD1      ILE  17  -0.248   5.118   5.118
  397   3HD1  ILE  17          1HD1      ILE  17   0.361   6.049   6.049
  398    H    ASP  18           H        ASP  18  -4.511   3.082   3.082
  399    HA   ASP  18           HA       ASP  18  -4.931   0.730   0.730
  400   1HB   ASP  18          2HB       ASP  18  -6.667   3.003   3.003
  401   2HB   ASP  18          1HB       ASP  18  -7.514   1.523   1.523
  402    H    ASP  19           H        ASP  19  -5.777   1.461   1.461
  403    HA   ASP  19           HA       ASP  19  -7.514  -0.801  -0.801
  404   1HB   ASP  19          2HB       ASP  19  -7.573   1.264   1.264
  405   2HB   ASP  19          1HB       ASP  19  -6.031   0.765   0.765
  406    H    LEU  20           H        LEU  20  -4.096  -0.111  -0.111
  407    HA   LEU  20           HA       LEU  20  -3.434  -2.458  -2.458
  408   1HB   LEU  20          2HB       LEU  20  -1.865  -0.532  -0.532
  409   2HB   LEU  20          1HB       LEU  20  -1.108  -2.007  -2.007
  410    HG   LEU  20           HG       LEU  20  -2.611  -0.114  -0.114
  411   1HD1  LEU  20          2HD1      LEU  20   0.313  -0.112  -0.112
  412   2HD1  LEU  20          1HD1      LEU  20  -0.301   0.701   0.701
  413   3HD1  LEU  20          3HD1      LEU  20  -0.840   1.214   1.214
  414   1HD2  LEU  20          3HD2      LEU  20  -1.825  -2.646  -2.646
  415   2HD2  LEU  20          2HD2      LEU  20  -1.797  -1.416  -1.416
  416   3HD2  LEU  20          1HD2      LEU  20  -0.317  -1.819  -1.819
  417    H    LYS  21           H        LYS  21  -3.408  -1.709  -1.709
  418    HA   LYS  21           HA       LYS  21  -2.383  -4.201  -4.201
  419   1HB   LYS  21          2HB       LYS  21  -3.900  -1.970  -1.970
  420   2HB   LYS  21          1HB       LYS  21  -3.729  -3.502  -3.502
  421   1HG   LYS  21          2HG       LYS  21  -1.233  -3.352  -3.352
  422   2HG   LYS  21          1HG       LYS  21  -1.524  -1.693  -1.693
  423   1HD   LYS  21          2HD       LYS  21  -2.481  -2.666  -2.666
  424   2HD   LYS  21          1HD       LYS  21  -0.842  -2.052  -2.052
  425   1HE   LYS  21          2HE       LYS  21  -1.680   0.082   0.082
  426   2HE   LYS  21          1HE       LYS  21  -3.337  -0.523  -0.523
  427   1HZ   LYS  21          3HZ       LYS  21  -2.895  -0.992  -0.992
  428   2HZ   LYS  21          2HZ       LYS  21  -1.596   0.092   0.092
  429   3HZ   LYS  21          1HZ       LYS  21  -3.186   0.611   0.611
  430    H    ARG  22           H        ARG  22  -5.609  -3.082  -3.082
  431    HA   ARG  22           HA       ARG  22  -7.097  -5.182  -5.182
  432   1HB   ARG  22          2HB       ARG  22  -7.594  -3.276  -3.276
  433   2HB   ARG  22          1HB       ARG  22  -8.730  -4.579  -4.579
  434   1HG   ARG  22          2HG       ARG  22  -7.779  -2.706  -2.706
  435   2HG   ARG  22          1HG       ARG  22  -9.179  -2.331  -2.331
  436   1HD   ARG  22          2HD       ARG  22  -9.037  -5.032  -5.032
  437   2HD   ARG  22          1HD       ARG  22  -9.445  -3.658  -3.658
  438    HE   ARG  22           HE       ARG  22 -11.091  -3.423  -3.423
  439   1HH1  ARG  22          1HH1      ARG  22 -10.480  -5.877  -5.877
  440   2HH1  ARG  22          2HH1      ARG  22 -12.088  -6.507  -6.507
  441   1HH2  ARG  22          1HH2      ARG  22 -13.177  -4.275  -4.275
  442   2HH2  ARG  22          2HH2      ARG  22 -13.606  -5.610  -5.610
  443    H    GLN  23           H        GLN  23  -5.544  -4.822  -4.822
  444    HA   GLN  23           HA       GLN  23  -6.506  -7.349  -7.349
  445   1HB   GLN  23          2HB       GLN  23  -4.651  -5.224  -5.224
  446   2HB   GLN  23          1HB       GLN  23  -4.494  -6.837  -6.837
  447   1HG   GLN  23          2HG       GLN  23  -7.237  -5.668  -5.668
  448   2HG   GLN  23          1HG       GLN  23  -6.187  -5.065  -5.065
  449   1HE2  GLN  23          2HE2      GLN  23  -7.601  -8.903  -8.903
  450   2HE2  GLN  23          1HE2      GLN  23  -7.743  -8.018  -8.018
  451    H    ASN  24           H        ASN  24  -3.542  -6.136  -6.136
  452    HA   ASN  24           HA       ASN  24  -1.996  -8.497  -8.497
  453   1HB   ASN  24          2HB       ASN  24  -1.781  -6.113  -6.113
  454   2HB   ASN  24          1HB       ASN  24  -0.707  -7.495  -7.495
  455   1HD2  ASN  24          2HD2      ASN  24   1.152  -5.374  -5.374
  456   2HD2  ASN  24          1HD2      ASN  24   0.797  -5.473  -5.473
  457    H    ALA  25           H        ALA  25  -4.223  -7.392  -7.392
  458    HA   ALA  25           HA       ALA  25  -3.614  -9.491  -9.491
  459   1HB   ALA  25          1HB       ALA  25  -5.724  -7.379  -7.379
  460   2HB   ALA  25          3HB       ALA  25  -5.977  -8.732  -8.732
  461   3HB   ALA  25          2HB       ALA  25  -4.573  -7.683  -7.683
  462    H    LEU  26           H        LEU  26  -6.152  -8.914  -8.914
  463    HA   LEU  26           HA       LEU  26  -7.717 -11.194 -11.194
  464   1HB   LEU  26          2HB       LEU  26  -7.344  -9.446  -9.446
  465   2HB   LEU  26          1HB       LEU  26  -8.305 -10.921 -10.921
  466    HG   LEU  26           HG       LEU  26  -8.796  -8.971  -8.971
  467   1HD1  LEU  26          1HD1      LEU  26  -9.686  -8.782  -8.782
  468   2HD1  LEU  26          3HD1      LEU  26 -10.671  -8.115  -8.115
  469   3HD1  LEU  26          2HD1      LEU  26  -9.035  -7.512  -7.512
  470   1HD2  LEU  26          1HD2      LEU  26  -9.769 -11.409 -11.409
  471   2HD2  LEU  26          3HD2      LEU  26 -10.819 -10.104 -10.104
  472   3HD2  LEU  26          2HD2      LEU  26 -10.846 -10.598 -10.598
  473    H    LEU  27           H        LEU  27  -4.941 -10.697 -10.697
  474    HA   LEU  27           HA       LEU  27  -4.987 -13.262 -13.262
  475   1HB   LEU  27          2HB       LEU  27  -2.774 -11.245 -11.245
  476   2HB   LEU  27          1HB       LEU  27  -2.537 -12.761 -12.761
  477    HG   LEU  27           HG       LEU  27  -4.690 -10.747 -10.747
  478   1HD1  LEU  27          3HD1      LEU  27  -2.148 -10.102 -10.102
  479   2HD1  LEU  27          2HD1      LEU  27  -2.224 -11.206 -11.206
  480   3HD1  LEU  27          1HD1      LEU  27  -3.280  -9.794  -9.794
  481   1HD2  LEU  27          3HD2      LEU  27  -3.691 -13.339 -13.339
  482   2HD2  LEU  27          2HD2      LEU  27  -5.352 -12.810 -12.810
  483   3HD2  LEU  27          1HD2      LEU  27  -4.409 -12.128 -12.128
  484    H    GLU  28           H        GLU  28  -2.898 -11.971 -11.971
  485    HA   GLU  28           HA       GLU  28  -1.639 -14.392 -14.392
  486   1HB   GLU  28          2HB       GLU  28  -0.898 -12.135 -12.135
  487   2HB   GLU  28          1HB       GLU  28  -2.270 -12.100 -12.100
  488   1HG   GLU  28          2HG       GLU  28  -1.331 -13.617 -13.617
  489   2HG   GLU  28          1HG       GLU  28  -0.578 -14.533 -14.533
  490    H    GLN  29           H        GLN  29  -4.569 -12.877 -12.877
  491    HA   GLN  29           HA       GLN  29  -5.140 -14.661 -14.661
  492   1HB   GLN  29          2HB       GLN  29  -6.372 -12.526 -12.526
  493   2HB   GLN  29          1HB       GLN  29  -7.202 -13.368 -13.368
  494   1HG   GLN  29          2HG       GLN  29  -8.236 -14.900 -14.900
  495   2HG   GLN  29          1HG       GLN  29  -7.187 -14.403 -14.403
  496   1HE2  GLN  29          2HE2      GLN  29 -10.535 -12.261 -12.261
  497   2HE2  GLN  29          1HE2      GLN  29 -10.097 -13.602 -13.602
  498    H    GLN  30           H        GLN  30  -5.575 -15.004 -15.004
  499    HA   GLN  30           HA       GLN  30  -7.122 -17.467 -17.467
  500   1HB   GLN  30          2HB       GLN  30  -6.161 -15.962 -15.962
  501   2HB   GLN  30          1HB       GLN  30  -7.071 -17.472 -17.472
  502   1HG   GLN  30          2HG       GLN  30  -8.924 -16.429 -16.429
  503   2HG   GLN  30          1HG       GLN  30  -8.015 -14.923 -14.923
  504   1HE2  GLN  30          2HE2      GLN  30 -10.162 -15.643 -15.643
  505   2HE2  GLN  30          1HE2      GLN  30 -10.307 -16.565 -16.565
  506    H    VAL  31           H        VAL  31  -3.899 -16.375 -16.375
  507    HA   VAL  31           HA       VAL  31  -2.947 -18.900 -18.900
  508    HB   VAL  31           HB       VAL  31  -1.382 -16.546 -16.546
  509   1HG1  VAL  31          1HG1      VAL  31  -0.156 -18.742 -18.742
  510   2HG1  VAL  31          3HG1      VAL  31  -0.512 -18.758 -18.758
  511   3HG1  VAL  31          2HG1      VAL  31   0.500 -17.483 -17.483
  512   1HG2  VAL  31          1HG2      VAL  31  -3.043 -16.526 -16.526
  513   2HG2  VAL  31          3HG2      VAL  31  -1.606 -15.518 -15.518
  514   3HG2  VAL  31          2HG2      VAL  31  -1.525 -17.038 -17.038
  515    H    ARG  32           H        ARG  32  -3.151 -17.344 -17.344
  516    HA   ARG  32           HA       ARG  32  -1.349 -18.966 -18.966
  517   1HB   ARG  32          2HB       ARG  32  -2.591 -18.289 -18.289
  518   2HB   ARG  32          1HB       ARG  32  -2.288 -16.914 -16.914
  519   1HG   ARG  32          2HG       ARG  32  -4.496 -16.506 -16.506
  520   2HG   ARG  32          1HG       ARG  32  -4.784 -18.141 -18.141
  521   1HD   ARG  32          2HD       ARG  32  -5.348 -18.945 -18.945
  522   2HD   ARG  32          1HD       ARG  32  -4.279 -17.826 -17.826
  523    HE   ARG  32           HE       ARG  32  -6.024 -16.291 -16.291
  524   1HH1  ARG  32          1HH1      ARG  32  -6.816 -18.842 -18.842
  525   2HH1  ARG  32          2HH1      ARG  32  -8.457 -18.331 -18.331
  526   1HH2  ARG  32          1HH2      ARG  32  -8.172 -15.659 -15.659
  527   2HH2  ARG  32          2HH2      ARG  32  -9.220 -16.544 -16.544
  528    H    ALA  33           H        ALA  33  -4.580 -19.585 -19.585
  529    HA   ALA  33           HA       ALA  33  -4.786 -22.027 -22.027
  530   1HB   ALA  33          3HB       ALA  33  -6.739 -20.554 -20.554
  531   2HB   ALA  33          2HB       ALA  33  -7.070 -22.166 -22.166
  532   3HB   ALA  33          1HB       ALA  33  -6.828 -20.814 -20.814
  533    H    LEU  34           H        LEU  34  -5.013 -21.015 -21.015
  534    HA   LEU  34           HA       LEU  34  -4.813 -23.752 -23.752
  535   1HB   LEU  34          2HB       LEU  34  -4.866 -21.097 -21.097
  536   2HB   LEU  34          1HB       LEU  34  -4.737 -22.652 -22.652
  537    HG   LEU  34           HG       LEU  34  -6.915 -22.335 -22.335
  538   1HD1  LEU  34          1HD1      LEU  34  -6.788 -20.949 -20.949
  539   2HD1  LEU  34          3HD1      LEU  34  -8.333 -21.452 -21.452
  540   3HD1  LEU  34          2HD1      LEU  34  -7.317 -20.300 -20.300
  541   1HD2  LEU  34          1HD2      LEU  34  -6.355 -24.435 -24.435
  542   2HD2  LEU  34          3HD2      LEU  34  -8.033 -23.897 -23.897
  543   3HD2  LEU  34          2HD2      LEU  34  -6.943 -23.558 -23.558
  544   1HN   NH2  35          1HT       LEU  34  -2.706 -24.486 -24.486
  545   2HN   NH2  35          2HT       LEU  34  -1.280 -23.845 -23.845

  Start of MODEL   39
    1   1H    ACE   2          1HA       ACE   2   4.609  24.497  24.497
    2   2H    ACE   2          2HA       ACE   2   5.257  24.502  24.502
    3   3H    ACE   2          3HA       ACE   2   5.270  25.983  25.983
    4    H    CYS   3           H        CYS   3   3.056  23.554  23.554
    5    HA   CYS   3           HA       CYS   3   1.165  25.733  25.733
    6   1HB   CYS   3          2HB       CYS   3   0.477  23.056  23.056
    7   2HB   CYS   3          1HB       CYS   3  -0.710  24.171  24.171
    8    H    GLY   4           H        GLY   4   3.143  24.370  24.370
    9   1HA   GLY   4          2HA       GLY   4   2.774  24.070  24.070
   10   2HA   GLY   4          1HA       GLY   4   1.315  23.167  23.167
   11    H    GLY   5           H        GLY   5   4.473  22.884  22.884
   12   1HA   GLY   5          2HA       GLY   5   5.939  21.117  21.117
   13   2HA   GLY   5          1HA       GLY   5   5.415  20.628  20.628
   14    H    VAL   6           H        VAL   6   4.069  20.730  20.730
   15    HA   VAL   6           HA       VAL   6   2.332  18.506  18.506
   16    HB   VAL   6           HB       VAL   6   3.363  19.558  19.558
   17   1HG1  VAL   6          3HG1      VAL   6   1.932  17.319  17.319
   18   2HG1  VAL   6          2HG1      VAL   6   0.612  18.490  18.490
   19   3HG1  VAL   6          1HG1      VAL   6   1.668  18.352  18.352
   20   1HG2  VAL   6          1HG2      VAL   6   1.180  20.523  20.523
   21   2HG2  VAL   6          3HG2      VAL   6   2.457  21.464  21.464
   22   3HG2  VAL   6          2HG2      VAL   6   1.118  20.840  20.840
   23    H    GLN   7           H        GLN   7   5.614  18.879  18.879
   24    HA   GLN   7           HA       GLN   7   5.901  16.257  16.257
   25   1HB   GLN   7          2HB       GLN   7   7.416  18.460  18.460
   26   2HB   GLN   7          1HB       GLN   7   8.278  17.644  17.644
   27   1HG   GLN   7          2HG       GLN   7   9.344  16.613  16.613
   28   2HG   GLN   7          1HG       GLN   7   7.934  15.556  15.556
   29   1HE2  GLN   7          2HE2      GLN   7   6.398  17.624  17.624
   30   2HE2  GLN   7          1HE2      GLN   7   5.988  17.344  17.344
   31    H    ALA   8           H        ALA   8   6.287  17.652  17.652
   32    HA   ALA   8           HA       ALA   8   7.691  15.487  15.487
   33   1HB   ALA   8          3HB       ALA   8   5.867  17.563  17.563
   34   2HB   ALA   8          2HB       ALA   8   6.887  16.451  16.451
   35   3HB   ALA   8          1HB       ALA   8   7.622  17.658  17.658
   36    H    GLU   9           H        GLU   9   4.239  16.376  16.376
   37    HA   GLU   9           HA       GLU   9   3.336  14.113  14.113
   38   1HB   GLU   9          2HB       GLU   9   2.041  16.117  16.117
   39   2HB   GLU   9          1HB       GLU   9   1.144  14.666  14.666
   40   1HG   GLU   9          2HG       GLU   9   0.582  16.230  16.230
   41   2HG   GLU   9          1HG       GLU   9   1.823  15.223  15.223
   42    H    GLU  10           H        GLU  10   4.022  14.655  14.655
   43    HA   GLU  10           HA       GLU  10   2.832  12.157  12.157
   44   1HB   GLU  10          2HB       GLU  10   4.290  14.402  14.402
   45   2HB   GLU  10          1HB       GLU  10   4.291  12.833  12.833
   46   1HG   GLU  10          2HG       GLU  10   1.706  12.897  12.897
   47   2HG   GLU  10          1HG       GLU  10   1.980  14.638  14.638
   48    H    GLN  11           H        GLN  11   5.997  13.343  13.343
   49    HA   GLN  11           HA       GLN  11   7.606  11.304  11.304
   50   1HB   GLN  11          2HB       GLN  11   7.877  13.213  13.213
   51   2HB   GLN  11          1HB       GLN  11   9.021  11.875  11.875
   52   1HG   GLN  11          2HG       GLN  11   8.470  13.399  13.399
   53   2HG   GLN  11          1HG       GLN  11   9.426  14.214  14.214
   54   1HE2  GLN  11          2HE2      GLN  11  12.091  11.743  11.743
   55   2HE2  GLN  11          1HE2      GLN  11  11.233  12.647  12.647
   56    H    LYS  12           H        LYS  12   5.654  11.438  11.438
   57    HA   LYS  12           HA       LYS  12   6.660   8.867   8.867
   58   1HB   LYS  12          2HB       LYS  12   5.018   9.204   9.204
   59   2HB   LYS  12          1HB       LYS  12   6.192  10.511  10.511
   60   1HG   LYS  12          2HG       LYS  12   4.627  12.016  12.016
   61   2HG   LYS  12          1HG       LYS  12   3.621  10.756  10.756
   62   1HD   LYS  12          2HD       LYS  12   2.603  10.227  10.227
   63   2HD   LYS  12          1HD       LYS  12   3.944  10.865  10.865
   64   1HE   LYS  12          2HE       LYS  12   2.150  12.439  12.439
   65   2HE   LYS  12          1HE       LYS  12   3.318  13.170  13.170
   66   1HZ   LYS  12          1HZ       LYS  12   0.878  11.683  11.683
   67   2HZ   LYS  12          3HZ       LYS  12   1.059  13.370  13.370
   68   3HZ   LYS  12          2HZ       LYS  12   2.000  12.398  12.398
   69    H    LEU  13           H        LEU  13   3.939  10.152  10.152
   70    HA   LEU  13           HA       LEU  13   2.286   7.804   7.804
   71   1HB   LEU  13          2HB       LEU  13   2.073  10.311  10.311
   72   2HB   LEU  13          1HB       LEU  13   1.001   8.945   8.945
   73    HG   LEU  13           HG       LEU  13   1.372  10.022  10.022
   74   1HD1  LEU  13          1HD1      LEU  13   0.670  11.903  11.903
   75   2HD1  LEU  13          3HD1      LEU  13  -0.669  10.930  10.930
   76   3HD1  LEU  13          2HD1      LEU  13  -0.628  11.413  11.413
   77   1HD2  LEU  13          1HD2      LEU  13   0.162   7.772   7.772
   78   2HD2  LEU  13          3HD2      LEU  13  -0.421   8.679   8.679
   79   3HD2  LEU  13          2HD2      LEU  13  -1.178   8.903   8.903
   80    H    ILE  14           H        ILE  14   4.395   9.136   9.136
   81    HA   ILE  14           HA       ILE  14   3.823   7.085   7.085
   82    HB   ILE  14           HB       ILE  14   6.147   9.025   9.025
   83   1HG1  ILE  14          2HG1      ILE  14   3.661   9.173   9.173
   84   2HG1  ILE  14          1HG1      ILE  14   3.791   9.973   9.973
   85   1HG2  ILE  14          2HG2      ILE  14   5.155   7.225   7.225
   86   2HG2  ILE  14          1HG2      ILE  14   6.278   8.560   8.560
   87   3HG2  ILE  14          3HG2      ILE  14   6.745   7.200   7.200
   88   1HD1  ILE  14          1HD1      ILE  14   5.852  10.386  10.386
   89   2HD1  ILE  14          3HD1      ILE  14   4.396  11.377  11.377
   90   3HD1  ILE  14          2HD1      ILE  14   5.555  11.378  11.378
   91    H    SER  15           H        SER  15   6.216   7.603   7.603
   92    HA   SER  15           HA       SER  15   7.945   5.482   5.482
   93   1HB   SER  15          2HB       SER  15   7.639   7.021   7.021
   94   2HB   SER  15          1HB       SER  15   8.792   5.702   5.702
   95    HG   SER  15           HG       SER  15   9.684   6.834   6.834
   96    H    GLU  16           H        GLU  16   5.347   5.750   5.750
   97    HA   GLU  16           HA       GLU  16   5.646   3.109   3.109
   98   1HB   GLU  16          2HB       GLU  16   3.440   3.445   3.445
   99   2HB   GLU  16          1HB       GLU  16   4.480   4.845   4.845
  100   1HG   GLU  16          2HG       GLU  16   3.383   5.871   5.871
  101   2HG   GLU  16          1HG       GLU  16   2.205   4.562   4.562
  102    H    GLU  17           H        GLU  17   3.462   4.504   4.504
  103    HA   GLU  17           HA       GLU  17   2.050   2.096   2.096
  104   1HB   GLU  17          2HB       GLU  17   1.325   3.191   3.191
  105   2HB   GLU  17          1HB       GLU  17   1.142   4.254   4.254
  106   1HG   GLU  17          2HG       GLU  17   2.196   5.715   5.715
  107   2HG   GLU  17          1HG       GLU  17   3.613   4.981   4.981
  108    H    ASP  18           H        ASP  18   5.074   3.401   3.401
  109    HA   ASP  18           HA       ASP  18   5.402   1.737   1.737
  110   1HB   ASP  18          2HB       ASP  18   6.801   3.757   3.757
  111   2HB   ASP  18          1HB       ASP  18   7.604   2.796   2.796
  112    H    LEU  19           H        LEU  19   6.166   1.317   1.317
  113    HA   LEU  19           HA       LEU  19   7.625  -1.099  -1.099
  114   1HB   LEU  19          2HB       LEU  19   6.377   0.444   0.444
  115   2HB   LEU  19          1HB       LEU  19   6.461  -1.289  -1.289
  116    HG   LEU  19           HG       LEU  19   8.479  -0.146  -0.146
  117   1HD1  LEU  19          1HD1      LEU  19   8.429  -2.478  -2.478
  118   2HD1  LEU  19          3HD1      LEU  19   9.445  -1.609  -1.609
  119   3HD1  LEU  19          2HD1      LEU  19   9.953  -1.766  -1.766
  120   1HD2  LEU  19          2HD2      LEU  19   8.227   1.519   1.519
  121   2HD2  LEU  19          1HD2      LEU  19   9.740   1.310   1.310
  122   3HD2  LEU  19          3HD2      LEU  19   9.464   0.429   0.429
  123    H    LEU  20           H        LEU  20   4.202  -0.471  -0.471
  124    HA   LEU  20           HA       LEU  20   3.404  -3.174  -3.174
  125   1HB   LEU  20          2HB       LEU  20   2.013  -0.566  -0.566
  126   2HB   LEU  20          1HB       LEU  20   1.119  -2.029  -2.029
  127    HG   LEU  20           HG       LEU  20   2.622  -1.932  -1.932
  128   1HD1  LEU  20          3HD1      LEU  20   1.069   0.157   0.157
  129   2HD1  LEU  20          2HD1      LEU  20  -0.230  -1.001  -1.001
  130   3HD1  LEU  20          1HD1      LEU  20   0.984  -0.703  -0.703
  131   1HD2  LEU  20          1HD2      LEU  20   1.539  -4.019  -4.019
  132   2HD2  LEU  20          3HD2      LEU  20   0.824  -3.455  -3.455
  133   3HD2  LEU  20          2HD2      LEU  20  -0.014  -3.181  -3.181
  134    H    ARG  21           H        ARG  21   3.790  -0.975  -0.975
  135    HA   ARG  21           HA       ARG  21   2.405  -2.459  -2.459
  136   1HB   ARG  21          2HB       ARG  21   4.427  -0.290  -0.290
  137   2HB   ARG  21          1HB       ARG  21   4.349  -1.258  -1.258
  138   1HG   ARG  21          2HG       ARG  21   2.386  -0.329  -0.329
  139   2HG   ARG  21          1HG       ARG  21   1.681  -0.569  -0.569
  140   1HD   ARG  21          2HD       ARG  21   1.803   1.660   1.660
  141   2HD   ARG  21          1HD       ARG  21   3.548   1.478   1.478
  142    HE   ARG  21           HE       ARG  21   2.049   2.512   2.512
  143   1HH1  ARG  21          1HH1      ARG  21   5.065   1.082   1.082
  144   2HH1  ARG  21          2HH1      ARG  21   5.961   1.708   1.708
  145   1HH2  ARG  21          1HH2      ARG  21   3.256   3.306   3.306
  146   2HH2  ARG  21          2HH2      ARG  21   4.949   2.955   2.955
  147    H    LYS  22           H        LYS  22   5.685  -2.650  -2.650
  148    HA   LYS  22           HA       LYS  22   6.695  -4.469  -4.469
  149   1HB   LYS  22          2HB       LYS  22   7.563  -3.523  -3.523
  150   2HB   LYS  22          1HB       LYS  22   8.275  -5.014  -5.014
  151   1HG   LYS  22          2HG       LYS  22   8.958  -3.859  -3.859
  152   2HG   LYS  22          1HG       LYS  22   8.213  -2.367  -2.367
  153   1HD   LYS  22          2HD       LYS  22  10.511  -2.133  -2.133
  154   2HD   LYS  22          1HD       LYS  22   9.744  -2.607  -2.607
  155   1HE   LYS  22          2HE       LYS  22  11.619  -4.032  -4.032
  156   2HE   LYS  22          1HE       LYS  22  10.294  -5.036  -5.036
  157   1HZ   LYS  22          3HZ       LYS  22  12.083  -3.451  -3.451
  158   2HZ   LYS  22          2HZ       LYS  22  12.309  -5.098  -5.098
  159   3HZ   LYS  22          1HZ       LYS  22  10.918  -4.586  -4.586
  160    H    ARG  23           H        ARG  23   4.961  -4.829  -4.829
  161    HA   ARG  23           HA       ARG  23   5.304  -7.698  -7.698
  162   1HB   ARG  23          2HB       ARG  23   4.967  -6.244  -6.244
  163   2HB   ARG  23          1HB       ARG  23   3.298  -6.012  -6.012
  164   1HG   ARG  23          2HG       ARG  23   3.306  -8.653  -8.653
  165   2HG   ARG  23          1HG       ARG  23   4.637  -8.496  -8.496
  166   1HD   ARG  23          2HD       ARG  23   3.048  -6.892  -6.892
  167   2HD   ARG  23          1HD       ARG  23   1.774  -7.621  -7.621
  168    HE   ARG  23           HE       ARG  23   3.384  -9.633  -9.633
  169   1HH1  ARG  23          1HH1      ARG  23   0.876  -7.289  -7.289
  170   2HH1  ARG  23          2HH1      ARG  23   0.236  -8.193  -8.193
  171   1HH2  ARG  23          1HH2      ARG  23   2.516 -10.781 -10.781
  172   2HH2  ARG  23          2HH2      ARG  23   1.156 -10.155 -10.155
  173    H    ARG  24           H        ARG  24   2.877  -5.415  -5.415
  174    HA   ARG  24           HA       ARG  24   0.741  -7.222  -7.222
  175   1HB   ARG  24          2HB       ARG  24   0.570  -4.712  -4.712
  176   2HB   ARG  24          1HB       ARG  24   1.338  -4.778  -4.778
  177   1HG   ARG  24          2HG       ARG  24  -0.541  -6.531  -6.531
  178   2HG   ARG  24          1HG       ARG  24  -1.367  -5.786  -5.786
  179   1HD   ARG  24          2HD       ARG  24  -0.608  -3.556  -3.556
  180   2HD   ARG  24          1HD       ARG  24  -0.720  -4.650  -4.650
  181    HE   ARG  24           HE       ARG  24  -3.065  -5.067  -5.067
  182   1HH1  ARG  24          1HH1      ARG  24  -1.431  -2.216  -2.216
  183   2HH1  ARG  24          2HH1      ARG  24  -2.905  -1.351  -1.351
  184   1HH2  ARG  24          1HH2      ARG  24  -4.961  -3.906  -3.906
  185   2HH2  ARG  24          2HH2      ARG  24  -4.886  -2.299  -2.299
  186    H    GLU  25           H        GLU  25   3.316  -6.123  -6.123
  187    HA   GLU  25           HA       GLU  25   2.467  -7.644  -7.644
  188   1HB   GLU  25          2HB       GLU  25   5.063  -6.335  -6.335
  189   2HB   GLU  25          1HB       GLU  25   4.955  -7.345  -7.345
  190   1HG   GLU  25          2HG       GLU  25   2.781  -5.851  -5.851
  191   2HG   GLU  25          1HG       GLU  25   3.682  -4.704  -4.704
  192    H    GLN  26           H        GLN  26   4.648  -8.290  -8.290
  193    HA   GLN  26           HA       GLN  26   5.782 -10.689 -10.689
  194   1HB   GLN  26          2HB       GLN  26   6.294  -9.220  -9.220
  195   2HB   GLN  26          1HB       GLN  26   5.198 -10.371 -10.371
  196   1HG   GLN  26          2HG       GLN  26   6.576 -12.238 -12.238
  197   2HG   GLN  26          1HG       GLN  26   7.707 -11.049 -11.049
  198   1HE2  GLN  26          1HE2      GLN  26   8.319 -13.060 -13.060
  199   2HE2  GLN  26          2HE2      GLN  26   8.763 -12.194 -12.194
  200    H    LEU  27           H        LEU  27   2.952 -10.138 -10.138
  201    HA   LEU  27           HA       LEU  27   2.235 -12.853 -12.853
  202   1HB   LEU  27          2HB       LEU  27   0.519 -10.359 -10.359
  203   2HB   LEU  27          1HB       LEU  27  -0.025 -11.962 -11.962
  204    HG   LEU  27           HG       LEU  27   2.456 -10.687 -10.687
  205   1HD1  LEU  27          1HD1      LEU  27  -0.438 -10.292 -10.292
  206   2HD1  LEU  27          3HD1      LEU  27   0.754 -10.329 -10.329
  207   3HD1  LEU  27          2HD1      LEU  27   0.884  -9.124  -9.124
  208   1HD2  LEU  27          3HD2      LEU  27   0.646 -13.005 -13.005
  209   2HD2  LEU  27          2HD2      LEU  27   2.394 -13.010 -13.010
  210   3HD2  LEU  27          1HD2      LEU  27   1.701 -12.278 -12.278
  211    H    LYS  28           H        LYS  28   0.972 -10.366 -10.366
  212    HA   LYS  28           HA       LYS  28  -0.772 -12.070 -12.070
  213   1HB   LYS  28          2HB       LYS  28  -0.793  -9.553  -9.553
  214   2HB   LYS  28          1HB       LYS  28   0.640  -9.631  -9.631
  215   1HG   LYS  28          2HG       LYS  28  -0.925 -11.375 -11.375
  216   2HG   LYS  28          1HG       LYS  28  -2.179 -10.350 -10.350
  217   1HD   LYS  28          2HD       LYS  28  -0.975  -8.347  -8.347
  218   2HD   LYS  28          1HD       LYS  28   0.148  -9.441  -9.441
  219   1HE   LYS  28          2HE       LYS  28  -2.139 -10.522 -10.522
  220   2HE   LYS  28          1HE       LYS  28  -2.717  -8.878  -8.878
  221   1HZ   LYS  28          2HZ       LYS  28  -0.308  -9.579  -9.579
  222   2HZ   LYS  28          1HZ       LYS  28  -1.833  -9.226  -9.226
  223   3HZ   LYS  28          3HZ       LYS  28  -0.983  -8.030  -8.030
  224    H    HIS  29           H        HIS  29   2.646 -11.360 -11.360
  225    HA   HIS  29           HA       HIS  29   3.083 -12.451 -12.451
  226   1HB   HIS  29          2HB       HIS  29   4.789 -11.860 -11.860
  227   2HB   HIS  29          1HB       HIS  29   5.445 -12.943 -12.943
  228    HD1  HIS  29           HD1      HIS  29   4.272 -11.663 -11.663
  229    HD2  HIS  29           HD2      HIS  29   6.023  -9.462  -9.462
  230    HE1  HIS  29           HE1      HIS  29   5.005  -9.463  -9.463
  231    H    LYS  30           H        LYS  30   3.173 -13.913 -13.913
  232    HA   LYS  30           HA       LYS  30   4.029 -16.485 -16.485
  233   1HB   LYS  30          2HB       LYS  30   2.548 -15.425 -15.425
  234   2HB   LYS  30          1HB       LYS  30   2.746 -17.165 -17.165
  235   1HG   LYS  30          2HG       LYS  30   5.173 -16.910 -16.910
  236   2HG   LYS  30          1HG       LYS  30   5.018 -15.157 -15.157
  237   1HD   LYS  30          2HD       LYS  30   3.997 -15.375 -15.375
  238   2HD   LYS  30          1HD       LYS  30   4.126 -17.131 -17.131
  239   1HE   LYS  30          2HE       LYS  30   6.628 -16.810 -16.810
  240   2HE   LYS  30          1HE       LYS  30   6.383 -15.120 -15.120
  241   1HZ   LYS  30          3HZ       LYS  30   5.655 -17.464 -17.464
  242   2HZ   LYS  30          2HZ       LYS  30   6.998 -16.455 -16.455
  243   3HZ   LYS  30          1HZ       LYS  30   5.426 -15.838 -15.838
  244    H    LEU  31           H        LEU  31   0.882 -14.942 -14.942
  245    HA   LEU  31           HA       LEU  31  -0.576 -17.394 -17.394
  246   1HB   LEU  31          2HB       LEU  31  -1.355 -15.054 -15.054
  247   2HB   LEU  31          1HB       LEU  31  -1.788 -14.752 -14.752
  248    HG   LEU  31           HG       LEU  31  -2.552 -17.393 -17.393
  249   1HD1  LEU  31          3HD1      LEU  31  -3.839 -14.749 -14.749
  250   2HD1  LEU  31          2HD1      LEU  31  -4.696 -16.285 -16.285
  251   3HD1  LEU  31          1HD1      LEU  31  -3.263 -16.000 -16.000
  252   1HD2  LEU  31          2HD2      LEU  31  -3.514 -15.449 -15.449
  253   2HD2  LEU  31          1HD2      LEU  31  -3.255 -17.188 -17.188
  254   3HD2  LEU  31          3HD2      LEU  31  -4.677 -16.571 -16.571
  255    H    GLU  32           H        GLU  32  -0.002 -14.443 -14.443
  256    HA   GLU  32           HA       GLU  32  -1.031 -15.465 -15.465
  257   1HB   GLU  32          2HB       GLU  32   0.226 -13.629 -13.629
  258   2HB   GLU  32          1HB       GLU  32  -0.687 -13.077 -13.077
  259   1HG   GLU  32          2HG       GLU  32   1.291 -12.130 -12.130
  260   2HG   GLU  32          1HG       GLU  32   1.683 -13.757 -13.757
  261    H    GLN  33           H        GLN  33   1.947 -16.132 -16.132
  262    HA   GLN  33           HA       GLN  33   3.210 -17.107 -17.107
  263   1HB   GLN  33          2HB       GLN  33   4.485 -15.743 -15.743
  264   2HB   GLN  33          1HB       GLN  33   4.384 -17.159 -17.159
  265   1HG   GLN  33          2HG       GLN  33   5.838 -18.386 -18.386
  266   2HG   GLN  33          1HG       GLN  33   5.321 -17.619 -17.619
  267   1HE2  GLN  33          2HE2      GLN  33   7.790 -15.096 -15.096
  268   2HE2  GLN  33          1HE2      GLN  33   6.443 -15.719 -15.719
  269    H    LEU  34           H        LEU  34   0.885 -18.475 -18.475
  270    HA   LEU  34           HA       LEU  34   0.124 -20.616 -20.616
  271   1HB   LEU  34          2HB       LEU  34   3.003 -21.426 -21.426
  272   2HB   LEU  34          1HB       LEU  34   1.577 -22.453 -22.453
  273    HG   LEU  34           HG       LEU  34   1.839 -19.921 -19.921
  274   1HD1  LEU  34          3HD1      LEU  34   3.764 -21.767 -21.767
  275   2HD1  LEU  34          2HD1      LEU  34   2.539 -22.564 -22.564
  276   3HD1  LEU  34          1HD1      LEU  34   3.107 -20.950 -20.950
  277   1HD2  LEU  34          3HD2      LEU  34   0.203 -22.452 -22.452
  278   2HD2  LEU  34          2HD2      LEU  34  -0.353 -20.779 -20.779
  279   3HD2  LEU  34          1HD2      LEU  34   0.416 -21.473 -21.473
  280   1HN   NH2  35          1HT       LEU  34   1.012 -19.091 -19.091
  281   2HN   NH2  35          2HT       LEU  34   1.478 -20.234 -20.234
  282   1H    ACE   2          1HA       ACE   2  -6.261  28.851  28.851
  283   2H    ACE   2          2HA       ACE   2  -5.567  29.909  29.909
  284   3H    ACE   2          3HA       ACE   2  -4.713  29.646  29.646
  285    H    CYS   3           H        CYS   3  -4.920  26.923  26.923
  286    HA   CYS   3           HA       CYS   3  -3.462  25.891  25.891
  287   1HB   CYS   3          2HB       CYS   3  -3.002  25.494  25.494
  288   2HB   CYS   3          1HB       CYS   3  -2.454  24.288  24.288
  289    H    GLY   4           H        GLY   4  -4.490  24.336  24.336
  290   1HA   GLY   4          2HA       GLY   4  -6.248  22.509  22.509
  291   2HA   GLY   4          1HA       GLY   4  -6.761  23.193  23.193
  292    H    GLY   5           H        GLY   5  -5.271  20.589  20.589
  293   1HA   GLY   5          2HA       GLY   5  -5.062  18.888  18.888
  294   2HA   GLY   5          1HA       GLY   5  -3.560  19.802  19.802
  295    H    MET   6           H        MET   6  -3.187  20.207  20.207
  296    HA   MET   6           HA       MET   6  -1.760  17.860  17.860
  297   1HB   MET   6          2HB       MET   6  -1.267  20.167  20.167
  298   2HB   MET   6          1HB       MET   6  -2.679  20.012  20.012
  299   1HG   MET   6          2HG       MET   6  -0.709  17.775  17.775
  300   2HG   MET   6          1HG       MET   6  -0.218  19.291  19.291
  301   1HE   MET   6          2HE       MET   6  -1.143  20.468  20.468
  302   2HE   MET   6          1HE       MET   6  -2.456  20.118  20.118
  303   3HE   MET   6          3HE       MET   6  -0.860  19.391  19.391
  304    H    ARG   7           H        ARG   7  -4.992  18.981  18.981
  305    HA   ARG   7           HA       ARG   7  -5.511  17.051  17.051
  306   1HB   ARG   7          2HB       ARG   7  -6.760  19.297  19.297
  307   2HB   ARG   7          1HB       ARG   7  -7.710  18.249  18.249
  308   1HG   ARG   7          2HG       ARG   7  -7.943  16.710  16.710
  309   2HG   ARG   7          1HG       ARG   7  -7.395  18.105  18.105
  310   1HD   ARG   7          2HD       ARG   7  -9.268  19.395  19.395
  311   2HD   ARG   7          1HD       ARG   7  -9.651  18.370  18.370
  312    HE   ARG   7           HE       ARG   7  -9.889  16.762  16.762
  313   1HH1  ARG   7          1HH1      ARG   7 -11.369  19.677  19.677
  314   2HH1  ARG   7          2HH1      ARG   7 -12.886  19.374  19.374
  315   1HH2  ARG   7          1HH2      ARG   7 -11.883  16.404  16.404
  316   2HH2  ARG   7          2HH2      ARG   7 -13.177  17.537  17.537
  317    H    ARG   8           H        ARG   8  -6.723  17.343  17.343
  318    HA   ARG   8           HA       ARG   8  -7.940  14.807  14.807
  319   1HB   ARG   8          2HB       ARG   8  -7.827  15.080  15.080
  320   2HB   ARG   8          1HB       ARG   8  -8.476  16.501  16.501
  321   1HG   ARG   8          2HG       ARG   8  -6.357  17.654  17.654
  322   2HG   ARG   8          1HG       ARG   8  -5.565  16.202  16.202
  323   1HD   ARG   8          2HD       ARG   8  -6.029  17.590  17.590
  324   2HD   ARG   8          1HD       ARG   8  -7.186  16.263  16.263
  325    HE   ARG   8           HE       ARG   8  -8.515  18.217  18.217
  326   1HH1  ARG   8          1HH1      ARG   8  -6.840  18.123  18.123
  327   2HH1  ARG   8          2HH1      ARG   8  -7.847  19.333  19.333
  328   1HH2  ARG   8          1HH2      ARG   8  -9.804  19.791  19.791
  329   2HH2  ARG   8          2HH2      ARG   8  -9.513  20.271  20.271
  330    H    LYS   9           H        LYS   9  -4.634  15.836  15.836
  331    HA   LYS   9           HA       LYS   9  -3.741  13.424  13.424
  332   1HB   LYS   9          2HB       LYS   9  -2.343  15.736  15.736
  333   2HB   LYS   9          1HB       LYS   9  -1.448  14.312  14.312
  334   1HG   LYS   9          2HG       LYS   9  -3.339  15.763  15.763
  335   2HG   LYS   9          1HG       LYS   9  -1.654  16.257  16.257
  336   1HD   LYS   9          2HD       LYS   9  -2.330  13.374  13.374
  337   2HD   LYS   9          1HD       LYS   9  -2.281  14.531  14.531
  338   1HE   LYS   9          2HE       LYS   9   0.008  14.554  14.554
  339   2HE   LYS   9          1HE       LYS   9  -0.095  13.195  13.195
  340   1HZ   LYS   9          1HZ       LYS   9  -0.345  14.852  14.852
  341   2HZ   LYS   9          3HZ       LYS   9  -0.025  16.081  16.081
  342   3HZ   LYS   9          2HZ       LYS   9   1.162  14.915  14.915
  343    H    ASN  10           H        ASN  10  -3.483  14.705  14.705
  344    HA   ASN  10           HA       ASN  10  -2.170  12.453  12.453
  345   1HB   ASN  10          2HB       ASN  10  -3.693  14.772  14.772
  346   2HB   ASN  10          1HB       ASN  10  -3.378  13.397  13.397
  347   1HD2  ASN  10          2HD2      ASN  10  -0.320  15.846  15.846
  348   2HD2  ASN  10          1HD2      ASN  10  -1.874  16.052  16.052
  349    H    ASP  11           H        ASP  11  -5.552  13.232  13.232
  350    HA   ASP  11           HA       ASP  11  -6.674  11.170  11.170
  351   1HB   ASP  11          2HB       ASP  11  -7.653  12.910  12.910
  352   2HB   ASP  11          1HB       ASP  11  -8.599  11.482  11.482
  353    H    THR  12           H        THR  12  -5.437  11.287  11.287
  354    HA   THR  12           HA       THR  12  -6.499   8.771   8.771
  355    HB   THR  12           HB       THR  12  -4.027  10.146  10.146
  356    HG1  THR  12           HG1      THR  12  -6.732  10.486  10.486
  357   1HG2  THR  12          2HG2      THR  12  -6.049   8.233   8.233
  358   2HG2  THR  12          1HG2      THR  12  -4.762   9.026   9.026
  359   3HG2  THR  12          3HG2      THR  12  -4.361   7.880   7.880
  360    H    HIS  13           H        HIS  13  -3.546   9.802   9.802
  361    HA   HIS  13           HA       HIS  13  -2.125   7.350   7.350
  362   1HB   HIS  13          2HB       HIS  13  -1.882   9.701   9.701
  363   2HB   HIS  13          1HB       HIS  13  -0.877   8.266   8.266
  364    HD1  HIS  13           HD1      HIS  13   0.383   7.513   7.513
  365    HD2  HIS  13           HD2      HIS  13  -0.804  11.493  11.493
  366    HE1  HIS  13           HE1      HIS  13   1.706   8.817   8.817
  367    H    GLN  14           H        GLN  14  -4.418   8.601   8.601
  368    HA   GLN  14           HA       GLN  14  -4.053   6.609   6.609
  369   1HB   GLN  14          2HB       GLN  14  -5.412   8.888   8.888
  370   2HB   GLN  14          1HB       GLN  14  -6.746   7.825   7.825
  371   1HG   GLN  14          2HG       GLN  14  -6.536   6.532   6.532
  372   2HG   GLN  14          1HG       GLN  14  -4.930   7.174   7.174
  373   1HE2  GLN  14          2HE2      GLN  14  -8.145   9.652   9.652
  374   2HE2  GLN  14          1HE2      GLN  14  -8.233   8.532   8.532
  375    H    GLN  15           H        GLN  15  -6.373   6.902   6.902
  376    HA   GLN  15           HA       GLN  15  -7.735   4.469   4.469
  377   1HB   GLN  15          2HB       GLN  15  -7.394   6.085   6.085
  378   2HB   GLN  15          1HB       GLN  15  -8.440   4.671   4.671
  379   1HG   GLN  15          2HG       GLN  15  -9.306   6.014   6.014
  380   2HG   GLN  15          1HG       GLN  15  -8.774   7.382   7.382
  381   1HE2  GLN  15          2HE2      GLN  15 -11.082   6.301   6.301
  382   2HE2  GLN  15          1HE2      GLN  15  -9.406   6.539   6.539
  383    H    ASP  16           H        ASP  16  -4.925   5.284   5.284
  384    HA   ASP  16           HA       ASP  16  -4.619   2.818   2.818
  385   1HB   ASP  16          2HB       ASP  16  -3.334   5.121   5.121
  386   2HB   ASP  16          1HB       ASP  16  -2.200   4.352   4.352
  387    H    ILE  17           H        ILE  17  -3.498   3.946   3.946
  388    HA   ILE  17           HA       ILE  17  -1.856   1.735   1.735
  389    HB   ILE  17           HB       ILE  17  -3.288   3.832   3.832
  390   1HG1  ILE  17          2HG1      ILE  17  -1.205   4.418   4.418
  391   2HG1  ILE  17          1HG1      ILE  17  -0.983   4.489   4.489
  392   1HG2  ILE  17          1HG2      ILE  17  -2.038   1.304   1.304
  393   2HG2  ILE  17          3HG2      ILE  17  -1.825   2.792   2.792
  394   3HG2  ILE  17          2HG2      ILE  17  -3.447   2.179   2.179
  395   1HD1  ILE  17          1HD1      ILE  17  -0.340   1.856   1.856
  396   2HD1  ILE  17          3HD1      ILE  17   0.311   2.751   2.751
  397   3HD1  ILE  17          2HD1      ILE  17   0.819   3.159   3.159
  398    H    ASP  18           H        ASP  18  -4.917   2.447   2.447
  399    HA   ASP  18           HA       ASP  18  -5.435   0.000   0.000
  400   1HB   ASP  18          2HB       ASP  18  -7.117   2.297   2.297
  401   2HB   ASP  18          1HB       ASP  18  -7.978   0.778   0.778
  402    H    ASP  19           H        ASP  19  -5.883   0.965   0.965
  403    HA   ASP  19           HA       ASP  19  -7.516  -1.267  -1.267
  404   1HB   ASP  19          2HB       ASP  19  -7.380   0.887   0.887
  405   2HB   ASP  19          1HB       ASP  19  -5.750   0.430   0.430
  406    H    LEU  20           H        LEU  20  -4.060  -0.548  -0.548
  407    HA   LEU  20           HA       LEU  20  -3.209  -2.834  -2.834
  408   1HB   LEU  20          2HB       LEU  20  -1.854  -0.995  -0.995
  409   2HB   LEU  20          1HB       LEU  20  -1.023  -2.410  -2.410
  410    HG   LEU  20           HG       LEU  20  -2.379  -0.401  -0.401
  411   1HD1  LEU  20          2HD1      LEU  20   0.442  -0.395  -0.395
  412   2HD1  LEU  20          1HD1      LEU  20  -0.033   0.502   0.502
  413   3HD1  LEU  20          3HD1      LEU  20  -0.758   0.891   0.891
  414   1HD2  LEU  20          2HD2      LEU  20  -0.191  -2.468  -2.468
  415   2HD2  LEU  20          1HD2      LEU  20  -1.846  -2.580  -2.580
  416   3HD2  LEU  20          3HD2      LEU  20  -0.757  -1.358  -1.358
  417    H    LYS  21           H        LYS  21  -3.879  -2.238  -2.238
  418    HA   LYS  21           HA       LYS  21  -2.846  -4.729  -4.729
  419   1HB   LYS  21          2HB       LYS  21  -4.909  -2.903  -2.903
  420   2HB   LYS  21          1HB       LYS  21  -4.015  -4.185  -4.185
  421   1HG   LYS  21          2HG       LYS  21  -1.895  -2.931  -2.931
  422   2HG   LYS  21          1HG       LYS  21  -2.989  -1.566  -1.566
  423   1HD   LYS  21          2HD       LYS  21  -2.246  -1.224  -1.224
  424   2HD   LYS  21          1HD       LYS  21  -3.749  -2.108  -2.108
  425   1HE   LYS  21          2HE       LYS  21  -2.673  -4.012  -4.012
  426   2HE   LYS  21          1HE       LYS  21  -1.299  -3.748  -3.748
  427   1HZ   LYS  21          1HZ       LYS  21  -1.859  -2.232  -2.232
  428   2HZ   LYS  21          3HZ       LYS  21  -0.688  -3.447  -3.447
  429   3HZ   LYS  21          2HZ       LYS  21  -0.531  -1.990  -1.990
  430    H    ARG  22           H        ARG  22  -5.942  -3.630  -3.630
  431    HA   ARG  22           HA       ARG  22  -7.554  -5.765  -5.765
  432   1HB   ARG  22          2HB       ARG  22  -7.731  -3.823  -3.823
  433   2HB   ARG  22          1HB       ARG  22  -8.886  -5.148  -5.148
  434   1HG   ARG  22          2HG       ARG  22  -8.993  -4.278  -4.278
  435   2HG   ARG  22          1HG       ARG  22  -8.527  -2.766  -2.766
  436   1HD   ARG  22          2HD       ARG  22 -10.454  -3.536  -3.536
  437   2HD   ARG  22          1HD       ARG  22 -11.046  -4.331  -4.331
  438    HE   ARG  22           HE       ARG  22 -11.122  -1.528  -1.528
  439   1HH1  ARG  22          1HH1      ARG  22 -10.671  -3.853  -3.853
  440   2HH1  ARG  22          2HH1      ARG  22 -11.239  -2.773  -2.773
  441   1HH2  ARG  22          1HH2      ARG  22 -11.856  -0.152  -0.152
  442   2HH2  ARG  22          2HH2      ARG  22 -11.904  -0.695  -0.695
  443    H    GLN  23           H        GLN  23  -5.967  -5.264  -5.264
  444    HA   GLN  23           HA       GLN  23  -6.620  -7.823  -7.823
  445   1HB   GLN  23          2HB       GLN  23  -4.687  -5.666  -5.666
  446   2HB   GLN  23          1HB       GLN  23  -4.503  -7.262  -7.262
  447   1HG   GLN  23          2HG       GLN  23  -7.227  -6.012  -6.012
  448   2HG   GLN  23          1HG       GLN  23  -6.065  -5.454  -5.454
  449   1HE2  GLN  23          2HE2      GLN  23  -5.925  -8.691  -8.691
  450   2HE2  GLN  23          1HE2      GLN  23  -4.908  -7.407  -7.407
  451    H    ASN  24           H        ASN  24  -3.721  -6.554  -6.554
  452    HA   ASN  24           HA       ASN  24  -2.161  -8.904  -8.904
  453   1HB   ASN  24          2HB       ASN  24  -2.094  -6.635  -6.635
  454   2HB   ASN  24          1HB       ASN  24  -0.892  -7.924  -7.924
  455   1HD2  ASN  24          1HD2      ASN  24   0.562  -5.934  -5.934
  456   2HD2  ASN  24          2HD2      ASN  24   0.717  -5.473  -5.473
  457    H    ALA  25           H        ALA  25  -4.613  -7.852  -7.852
  458    HA   ALA  25           HA       ALA  25  -4.090  -9.905  -9.905
  459   1HB   ALA  25          2HB       ALA  25  -6.338  -7.954  -7.954
  460   2HB   ALA  25          1HB       ALA  25  -6.467  -9.231  -9.231
  461   3HB   ALA  25          3HB       ALA  25  -5.184  -8.027  -8.027
  462    H    LEU  26           H        LEU  26  -6.208  -9.528  -9.528
  463    HA   LEU  26           HA       LEU  26  -7.665 -11.975 -11.975
  464   1HB   LEU  26          2HB       LEU  26  -7.679  -9.889  -9.889
  465   2HB   LEU  26          1HB       LEU  26  -8.331 -11.483 -11.483
  466    HG   LEU  26           HG       LEU  26  -9.156 -10.023 -10.023
  467   1HD1  LEU  26          3HD1      LEU  26  -9.613  -8.537  -8.537
  468   2HD1  LEU  26          2HD1      LEU  26 -10.454  -9.855  -9.855
  469   3HD1  LEU  26          1HD1      LEU  26 -11.111  -9.181  -9.181
  470   1HD2  LEU  26          3HD2      LEU  26  -9.573 -12.568 -12.568
  471   2HD2  LEU  26          2HD2      LEU  26 -10.824 -11.628 -11.628
  472   3HD2  LEU  26          1HD2      LEU  26 -10.884 -11.850 -11.850
  473    H    LEU  27           H        LEU  27  -5.029 -10.911 -10.911
  474    HA   LEU  27           HA       LEU  27  -4.821 -13.237 -13.237
  475   1HB   LEU  27          2HB       LEU  27  -2.983 -10.989 -10.989
  476   2HB   LEU  27          1HB       LEU  27  -2.298 -12.429 -12.429
  477    HG   LEU  27           HG       LEU  27  -4.765 -11.161 -11.161
  478   1HD1  LEU  27          2HD1      LEU  27  -2.807  -9.480  -9.480
  479   2HD1  LEU  27          1HD1      LEU  27  -1.996 -10.389 -10.389
  480   3HD1  LEU  27          3HD1      LEU  27  -3.529  -9.584  -9.584
  481   1HD2  LEU  27          2HD2      LEU  27  -2.422 -12.714 -12.714
  482   2HD2  LEU  27          1HD2      LEU  27  -4.030 -13.362 -13.362
  483   3HD2  LEU  27          3HD2      LEU  27  -3.808 -12.136 -12.136
  484    H    GLU  28           H        GLU  28  -2.950 -12.258 -12.258
  485    HA   GLU  28           HA       GLU  28  -1.471 -14.629 -14.629
  486   1HB   GLU  28          2HB       GLU  28  -0.994 -12.500 -12.500
  487   2HB   GLU  28          1HB       GLU  28  -2.409 -12.793 -12.793
  488   1HG   GLU  28          2HG       GLU  28  -1.367 -14.411 -14.411
  489   2HG   GLU  28          1HG       GLU  28  -0.536 -15.073 -15.073
  490    H    GLN  29           H        GLN  29  -4.601 -13.679 -13.679
  491    HA   GLN  29           HA       GLN  29  -5.058 -15.877 -15.877
  492   1HB   GLN  29          2HB       GLN  29  -6.477 -13.773 -13.773
  493   2HB   GLN  29          1HB       GLN  29  -7.219 -14.532 -14.532
  494   1HG   GLN  29          2HG       GLN  29  -8.085 -16.330 -16.330
  495   2HG   GLN  29          1HG       GLN  29  -7.057 -15.936 -15.936
  496   1HE2  GLN  29          2HE2      GLN  29  -9.465 -13.805 -13.805
  497   2HE2  GLN  29          1HE2      GLN  29  -8.102 -14.792 -14.792
  498    H    GLN  30           H        GLN  30  -5.361 -15.548 -15.548
  499    HA   GLN  30           HA       GLN  30  -6.633 -18.163 -18.163
  500   1HB   GLN  30          2HB       GLN  30  -6.936 -15.966 -15.966
  501   2HB   GLN  30          1HB       GLN  30  -5.576 -16.677 -16.677
  502   1HG   GLN  30          2HG       GLN  30  -7.270 -17.773 -17.773
  503   2HG   GLN  30          1HG       GLN  30  -7.091 -18.880 -18.880
  504   1HE2  GLN  30          2HE2      GLN  30 -10.186 -16.181 -16.181
  505   2HE2  GLN  30          1HE2      GLN  30  -8.703 -15.667 -15.667
  506    H    VAL  31           H        VAL  31  -3.566 -16.560 -16.560
  507    HA   VAL  31           HA       VAL  31  -2.288 -18.738 -18.738
  508    HB   VAL  31           HB       VAL  31  -1.029 -16.526 -16.526
  509   1HG1  VAL  31          1HG1      VAL  31   0.051 -18.434 -18.434
  510   2HG1  VAL  31          3HG1      VAL  31   0.900 -16.968 -16.968
  511   3HG1  VAL  31          2HG1      VAL  31   0.592 -18.250 -18.250
  512   1HG2  VAL  31          2HG2      VAL  31  -2.623 -16.201 -16.201
  513   2HG2  VAL  31          1HG2      VAL  31  -1.312 -15.111 -15.111
  514   3HG2  VAL  31          3HG2      VAL  31  -1.036 -16.381 -16.381
  515    H    ARG  32           H        ARG  32  -2.763 -17.894 -17.894
  516    HA   ARG  32           HA       ARG  32  -0.876 -19.773 -19.773
  517   1HB   ARG  32          2HB       ARG  32  -2.045 -17.664 -17.664
  518   2HB   ARG  32          1HB       ARG  32  -3.230 -18.875 -18.875
  519   1HG   ARG  32          2HG       ARG  32  -1.243 -20.262 -20.262
  520   2HG   ARG  32          1HG       ARG  32  -0.273 -18.804 -18.804
  521   1HD   ARG  32          2HD       ARG  32  -1.622 -17.588 -17.588
  522   2HD   ARG  32          1HD       ARG  32  -2.823 -18.873 -18.873
  523    HE   ARG  32           HE       ARG  32  -0.333 -19.930 -19.930
  524   1HH1  ARG  32          1HH1      ARG  32  -2.784 -17.687 -17.687
  525   2HH1  ARG  32          2HH1      ARG  32  -2.438 -17.956 -17.956
  526   1HH2  ARG  32          1HH2      ARG  32   0.085 -20.252 -20.252
  527   2HH2  ARG  32          2HH2      ARG  32  -0.828 -19.397 -19.397
  528    H    ALA  33           H        ALA  33  -4.197 -19.949 -19.949
  529    HA   ALA  33           HA       ALA  33  -4.552 -22.572 -22.572
  530   1HB   ALA  33          2HB       ALA  33  -6.332 -20.619 -20.619
  531   2HB   ALA  33          1HB       ALA  33  -6.641 -21.338 -21.338
  532   3HB   ALA  33          3HB       ALA  33  -6.825 -22.307 -22.307
  533    H    LEU  34           H        LEU  34  -2.699 -22.087 -22.087
  534    HA   LEU  34           HA       LEU  34  -3.866 -24.098 -24.098
  535   1HB   LEU  34          2HB       LEU  34  -2.850 -21.407 -21.407
  536   2HB   LEU  34          1HB       LEU  34  -2.174 -22.691 -22.691
  537    HG   LEU  34           HG       LEU  34  -4.227 -21.765 -21.765
  538   1HD1  LEU  34          2HD1      LEU  34  -3.557 -24.365 -24.365
  539   2HD1  LEU  34          1HD1      LEU  34  -5.140 -24.436 -24.436
  540   3HD1  LEU  34          3HD1      LEU  34  -4.991 -23.809 -23.809
  541   1HD2  LEU  34          1HD2      LEU  34  -5.147 -21.508 -21.508
  542   2HD2  LEU  34          3HD2      LEU  34  -6.189 -21.478 -21.478
  543   3HD2  LEU  34          2HD2      LEU  34  -5.995 -22.969 -22.969
  544   1HN   NH2  35          1HT       LEU  34  -2.557 -25.657 -25.657
  545   2HN   NH2  35          2HT       LEU  34  -0.882 -25.758 -25.758

  Start of MODEL   40
    1   1H    ACE   2          1HA       ACE   2   4.334  27.833  27.833
    2   2H    ACE   2          2HA       ACE   2   3.216  28.870  28.870
    3   3H    ACE   2          3HA       ACE   2   4.026  27.537  27.537
    4    H    CYS   3           H        CYS   3   3.611  25.333  25.333
    5    HA   CYS   3           HA       CYS   3   0.716  25.057  25.057
    6   1HB   CYS   3          2HB       CYS   3   2.880  22.998  22.998
    7   2HB   CYS   3          1HB       CYS   3   1.165  22.627  22.627
    8    H    GLY   4           H        GLY   4   3.636  23.600  23.600
    9   1HA   GLY   4          2HA       GLY   4   3.636  24.132  24.132
   10   2HA   GLY   4          1HA       GLY   4   2.148  23.190  23.190
   11    H    GLY   5           H        GLY   5   2.235  20.986  20.986
   12   1HA   GLY   5          2HA       GLY   5   4.925  19.758  19.758
   13   2HA   GLY   5          1HA       GLY   5   3.758  19.254  19.254
   14    H    VAL   6           H        VAL   6   2.916  20.128  20.128
   15    HA   VAL   6           HA       VAL   6   1.494  17.674  17.674
   16    HB   VAL   6           HB       VAL   6   2.281  19.723  19.723
   17   1HG1  VAL   6          2HG1      VAL   6   0.040  17.683  17.683
   18   2HG1  VAL   6          1HG1      VAL   6   0.223  18.878  18.878
   19   3HG1  VAL   6          3HG1      VAL   6   1.432  17.610  17.610
   20   1HG2  VAL   6          3HG2      VAL   6  -0.132  19.605  19.605
   21   2HG2  VAL   6          2HG2      VAL   6   1.135  20.832  20.832
   22   3HG2  VAL   6          1HG2      VAL   6   0.045  20.715  20.715
   23    H    GLN   7           H        GLN   7   4.637  18.930  18.930
   24    HA   GLN   7           HA       GLN   7   5.290  16.956  16.956
   25   1HB   GLN   7          2HB       GLN   7   6.490  19.211  19.211
   26   2HB   GLN   7          1HB       GLN   7   7.386  18.200  18.200
   27   1HG   GLN   7          2HG       GLN   7   7.070  17.281  17.281
   28   2HG   GLN   7          1HG       GLN   7   8.272  18.516  18.516
   29   1HE2  GLN   7          2HE2      GLN   7   9.385  14.812  14.812
   30   2HE2  GLN   7          1HE2      GLN   7   8.280  15.373  15.373
   31    H    ALA   8           H        ALA   8   5.819  17.168  17.168
   32    HA   ALA   8           HA       ALA   8   7.344  14.799  14.799
   33   1HB   ALA   8          2HB       ALA   8   6.929  16.701  16.701
   34   2HB   ALA   8          1HB       ALA   8   5.484  15.782  15.782
   35   3HB   ALA   8          3HB       ALA   8   7.078  15.045  15.045
   36    H    GLU   9           H        GLU   9   3.870  15.444  15.444
   37    HA   GLU   9           HA       GLU   9   3.085  12.822  12.822
   38   1HB   GLU   9          2HB       GLU   9   1.644  15.115  15.115
   39   2HB   GLU   9          1HB       GLU   9   0.852  13.560  13.560
   40   1HG   GLU   9          2HG       GLU   9   1.529  13.738  13.738
   41   2HG   GLU   9          1HG       GLU   9   2.051  15.389  15.389
   42    H    GLU  10           H        GLU  10   3.374  14.437  14.437
   43    HA   GLU  10           HA       GLU  10   2.451  12.221  12.221
   44   1HB   GLU  10          2HB       GLU  10   3.836  14.796  14.796
   45   2HB   GLU  10          1HB       GLU  10   3.914  13.531  13.531
   46   1HG   GLU  10          2HG       GLU  10   1.411  13.320  13.320
   47   2HG   GLU  10          1HG       GLU  10   1.413  14.732  14.732
   48    H    GLN  11           H        GLN  11   5.582  13.224  13.224
   49    HA   GLN  11           HA       GLN  11   7.225  11.556  11.556
   50   1HB   GLN  11          2HB       GLN  11   7.999  13.416  13.416
   51   2HB   GLN  11          1HB       GLN  11   7.739  12.312  12.312
   52   1HG   GLN  11          2HG       GLN  11  10.012  11.990  11.990
   53   2HG   GLN  11          1HG       GLN  11   9.218  10.660  10.660
   54   1HE2  GLN  11          2HE2      GLN  11  11.369  13.239  13.239
   55   2HE2  GLN  11          1HE2      GLN  11  11.481  13.084  13.084
   56    H    LYS  12           H        LYS  12   5.318  10.958  10.958
   57    HA   LYS  12           HA       LYS  12   6.411   8.264   8.264
   58   1HB   LYS  12          2HB       LYS  12   4.225   9.688   9.688
   59   2HB   LYS  12          1HB       LYS  12   4.928   8.126   8.126
   60   1HG   LYS  12          2HG       LYS  12   7.155   9.198   9.198
   61   2HG   LYS  12          1HG       LYS  12   6.420  10.761  10.761
   62   1HD   LYS  12          2HD       LYS  12   5.271   9.106   9.106
   63   2HD   LYS  12          1HD       LYS  12   6.768   9.994   9.994
   64   1HE   LYS  12          2HE       LYS  12   5.673  12.081  12.081
   65   2HE   LYS  12          1HE       LYS  12   4.175  11.197  11.197
   66   1HZ   LYS  12          2HZ       LYS  12   4.183  10.560  10.560
   67   2HZ   LYS  12          1HZ       LYS  12   5.569  11.508  11.508
   68   3HZ   LYS  12          3HZ       LYS  12   4.111  12.244  12.244
   69    H    LEU  13           H        LEU  13   3.423   9.879   9.879
   70    HA   LEU  13           HA       LEU  13   1.794   7.586   7.586
   71   1HB   LEU  13          2HB       LEU  13   1.730  10.329  10.329
   72   2HB   LEU  13          1HB       LEU  13   0.605   9.088   9.088
   73    HG   LEU  13           HG       LEU  13   0.962   9.703   9.703
   74   1HD1  LEU  13          2HD1      LEU  13   0.243  11.703  11.703
   75   2HD1  LEU  13          1HD1      LEU  13  -1.291  10.836  10.836
   76   3HD1  LEU  13          3HD1      LEU  13  -0.671  11.374  11.374
   77   1HD2  LEU  13          3HD2      LEU  13  -0.261   7.623   7.623
   78   2HD2  LEU  13          2HD2      LEU  13  -0.898   8.368   8.368
   79   3HD2  LEU  13          1HD2      LEU  13  -1.580   8.790   8.790
   80    H    ILE  14           H        ILE  14   4.167   9.041   9.041
   81    HA   ILE  14           HA       ILE  14   3.460   7.339   7.339
   82    HB   ILE  14           HB       ILE  14   5.850   9.164   9.164
   83   1HG1  ILE  14          2HG1      ILE  14   3.457   9.781   9.781
   84   2HG1  ILE  14          1HG1      ILE  14   3.371  10.077  10.077
   85   1HG2  ILE  14          1HG2      ILE  14   4.663   7.767   7.767
   86   2HG2  ILE  14          3HG2      ILE  14   5.840   9.076   9.076
   87   3HG2  ILE  14          2HG2      ILE  14   6.283   7.558   7.558
   88   1HD1  ILE  14          3HD1      ILE  14   5.599  11.330  11.330
   89   2HD1  ILE  14          2HD1      ILE  14   5.283  11.281  11.281
   90   3HD1  ILE  14          1HD1      ILE  14   4.164  12.117  12.117
   91    H    SER  15           H        SER  15   6.279   7.724   7.724
   92    HA   SER  15           HA       SER  15   7.770   5.560   5.560
   93   1HB   SER  15          2HB       SER  15   8.679   7.272   7.272
   94   2HB   SER  15          1HB       SER  15   7.689   6.615   6.615
   95    HG   SER  15           HG       SER  15   9.992   5.630   5.630
   96    H    GLU  16           H        GLU  16   5.263   5.704   5.704
   97    HA   GLU  16           HA       GLU  16   5.544   2.981   2.981
   98   1HB   GLU  16          2HB       GLU  16   4.399   4.936   4.936
   99   2HB   GLU  16          1HB       GLU  16   2.996   4.563   4.563
  100   1HG   GLU  16          2HG       GLU  16   4.327   2.257   2.257
  101   2HG   GLU  16          1HG       GLU  16   3.438   3.363   3.363
  102    H    GLU  17           H        GLU  17   3.634   4.659   4.659
  103    HA   GLU  17           HA       GLU  17   1.910   2.471   2.471
  104   1HB   GLU  17          2HB       GLU  17   1.449   4.874   4.874
  105   2HB   GLU  17          1HB       GLU  17   2.702   4.758   4.758
  106   1HG   GLU  17          2HG       GLU  17   1.446   2.785   2.785
  107   2HG   GLU  17          1HG       GLU  17   0.135   3.160   3.160
  108    H    ASP  18           H        ASP  18   4.973   3.666   3.666
  109    HA   ASP  18           HA       ASP  18   5.150   1.914   1.914
  110   1HB   ASP  18          2HB       ASP  18   6.624   3.983   3.983
  111   2HB   ASP  18          1HB       ASP  18   7.598   2.777   2.777
  112    H    LEU  19           H        LEU  19   6.018   1.562   1.562
  113    HA   LEU  19           HA       LEU  19   7.511  -0.829  -0.829
  114   1HB   LEU  19          2HB       LEU  19   6.997   0.816   0.816
  115   2HB   LEU  19          1HB       LEU  19   5.776  -0.413  -0.413
  116    HG   LEU  19           HG       LEU  19   8.507  -1.381  -1.381
  117   1HD1  LEU  19          3HD1      LEU  19   7.787   0.031   0.031
  118   2HD1  LEU  19          2HD1      LEU  19   9.105  -1.135  -1.135
  119   3HD1  LEU  19          1HD1      LEU  19   9.161   0.345   0.345
  120   1HD2  LEU  19          2HD2      LEU  19   6.376  -2.737  -2.737
  121   2HD2  LEU  19          1HD2      LEU  19   7.894  -3.188  -3.188
  122   3HD2  LEU  19          3HD2      LEU  19   6.707  -2.225  -2.225
  123    H    LEU  20           H        LEU  20   4.087  -0.326  -0.326
  124    HA   LEU  20           HA       LEU  20   3.400  -3.078  -3.078
  125   1HB   LEU  20          2HB       LEU  20   1.894  -0.504  -0.504
  126   2HB   LEU  20          1HB       LEU  20   1.027  -1.970  -1.970
  127    HG   LEU  20           HG       LEU  20   2.736  -2.000  -2.000
  128   1HD1  LEU  20          3HD1      LEU  20   0.977   0.017   0.017
  129   2HD1  LEU  20          2HD1      LEU  20  -0.141  -1.260  -1.260
  130   3HD1  LEU  20          1HD1      LEU  20   1.228  -0.851  -0.851
  131   1HD2  LEU  20          3HD2      LEU  20   0.161  -3.348  -3.348
  132   2HD2  LEU  20          2HD2      LEU  20   1.756  -4.095  -4.095
  133   3HD2  LEU  20          1HD2      LEU  20   0.917  -3.582  -3.582
  134    H    ARG  21           H        ARG  21   3.705  -0.698  -0.698
  135    HA   ARG  21           HA       ARG  21   2.116  -1.808  -1.808
  136   1HB   ARG  21          2HB       ARG  21   3.831   0.328   0.328
  137   2HB   ARG  21          1HB       ARG  21   4.707  -0.745  -0.745
  138   1HG   ARG  21          2HG       ARG  21   3.124  -0.579  -0.579
  139   2HG   ARG  21          1HG       ARG  21   1.794  -0.423  -0.423
  140   1HD   ARG  21          2HD       ARG  21   1.979   1.846   1.846
  141   2HD   ARG  21          1HD       ARG  21   3.735   1.812   1.812
  142    HE   ARG  21           HE       ARG  21   3.539   2.081   2.081
  143   1HH1  ARG  21          1HH1      ARG  21   0.470   1.022   1.022
  144   2HH1  ARG  21          2HH1      ARG  21  -0.369   1.227   1.227
  145   1HH2  ARG  21          1HH2      ARG  21   2.406   2.335   2.335
  146   2HH2  ARG  21          2HH2      ARG  21   0.716   1.965   1.965
  147    H    LYS  22           H        LYS  22   5.569  -2.383  -2.383
  148    HA   LYS  22           HA       LYS  22   5.861  -4.410  -4.410
  149   1HB   LYS  22          2HB       LYS  22   7.560  -3.946  -3.946
  150   2HB   LYS  22          1HB       LYS  22   8.024  -4.844  -4.844
  151   1HG   LYS  22          2HG       LYS  22   7.661  -2.739  -2.739
  152   2HG   LYS  22          1HG       LYS  22   7.421  -1.880  -1.880
  153   1HD   LYS  22          2HD       LYS  22   9.697  -2.814  -2.814
  154   2HD   LYS  22          1HD       LYS  22   9.922  -3.270  -3.270
  155   1HE   LYS  22          2HE       LYS  22   9.190  -0.749  -0.749
  156   2HE   LYS  22          1HE       LYS  22   9.792  -0.545  -0.545
  157   1HZ   LYS  22          2HZ       LYS  22  11.876  -1.583  -1.583
  158   2HZ   LYS  22          1HZ       LYS  22  11.294  -1.707  -1.707
  159   3HZ   LYS  22          3HZ       LYS  22  11.550  -0.179  -0.179
  160    H    ARG  23           H        ARG  23   4.951  -4.388  -4.388
  161    HA   ARG  23           HA       ARG  23   5.289  -7.125  -7.125
  162   1HB   ARG  23          2HB       ARG  23   4.572  -5.018  -5.018
  163   2HB   ARG  23          1HB       ARG  23   2.971  -5.697  -5.697
  164   1HG   ARG  23          2HG       ARG  23   5.256  -7.446  -7.446
  165   2HG   ARG  23          1HG       ARG  23   4.279  -6.551  -6.551
  166   1HD   ARG  23          2HD       ARG  23   2.306  -7.636  -7.636
  167   2HD   ARG  23          1HD       ARG  23   3.543  -8.869  -8.869
  168    HE   ARG  23           HE       ARG  23   2.031  -8.404  -8.404
  169   1HH1  ARG  23          1HH1      ARG  23   5.218  -9.315  -9.315
  170   2HH1  ARG  23          2HH1      ARG  23   5.595 -10.205 -10.205
  171   1HH2  ARG  23          1HH2      ARG  23   2.563  -9.574  -9.574
  172   2HH2  ARG  23          2HH2      ARG  23   4.106 -10.352 -10.352
  173    H    ARG  24           H        ARG  24   2.480  -5.322  -5.322
  174    HA   ARG  24           HA       ARG  24   0.725  -7.543  -7.543
  175   1HB   ARG  24          2HB       ARG  24   0.036  -5.121  -5.121
  176   2HB   ARG  24          1HB       ARG  24   0.659  -5.078  -5.078
  177   1HG   ARG  24          2HG       ARG  24  -1.050  -6.364  -6.364
  178   2HG   ARG  24          1HG       ARG  24  -1.191  -7.313  -7.313
  179   1HD   ARG  24          2HD       ARG  24  -2.457  -5.637  -5.637
  180   2HD   ARG  24          1HD       ARG  24  -1.993  -4.407  -4.407
  181    HE   ARG  24           HE       ARG  24  -4.186  -6.238  -6.238
  182   1HH1  ARG  24          1HH1      ARG  24  -1.764  -4.515  -4.515
  183   2HH1  ARG  24          2HH1      ARG  24  -2.715  -4.497  -4.497
  184   1HH2  ARG  24          1HH2      ARG  24  -5.392  -6.193  -6.193
  185   2HH2  ARG  24          2HH2      ARG  24  -4.752  -5.439  -5.439
  186    H    GLU  25           H        GLU  25   3.174  -6.264  -6.264
  187    HA   GLU  25           HA       GLU  25   2.431  -7.582  -7.582
  188   1HB   GLU  25          2HB       GLU  25   4.326  -5.806  -5.806
  189   2HB   GLU  25          1HB       GLU  25   5.323  -7.252  -7.252
  190   1HG   GLU  25          2HG       GLU  25   4.150  -7.948  -7.948
  191   2HG   GLU  25          1HG       GLU  25   3.900  -6.209  -6.209
  192    H    GLN  26           H        GLN  26   4.439  -8.609  -8.609
  193    HA   GLN  26           HA       GLN  26   5.263 -11.087 -11.087
  194   1HB   GLN  26          2HB       GLN  26   6.136  -9.789  -9.789
  195   2HB   GLN  26          1HB       GLN  26   4.914 -10.746 -10.746
  196   1HG   GLN  26          2HG       GLN  26   5.893 -12.813 -12.813
  197   2HG   GLN  26          1HG       GLN  26   7.122 -11.856 -11.856
  198   1HE2  GLN  26          2HE2      GLN  26   9.195 -11.897 -11.897
  199   2HE2  GLN  26          1HE2      GLN  26   9.055 -11.876 -11.876
  200    H    LEU  27           H        LEU  27   2.664 -10.233 -10.233
  201    HA   LEU  27           HA       LEU  27   1.616 -12.851 -12.851
  202   1HB   LEU  27          2HB       LEU  27   0.161 -10.210 -10.210
  203   2HB   LEU  27          1HB       LEU  27  -0.376 -11.767 -11.767
  204    HG   LEU  27           HG       LEU  27   2.330 -10.675 -10.675
  205   1HD1  LEU  27          1HD1      LEU  27  -0.371  -9.914  -9.914
  206   2HD1  LEU  27          3HD1      LEU  27   1.070  -9.873  -9.873
  207   3HD1  LEU  27          2HD1      LEU  27   0.979  -8.861  -8.861
  208   1HD2  LEU  27          3HD2      LEU  27   0.414 -12.764 -12.764
  209   2HD2  LEU  27          2HD2      LEU  27   2.167 -12.850 -12.850
  210   3HD2  LEU  27          1HD2      LEU  27   1.459 -11.984 -11.984
  211    H    LYS  28           H        LYS  28   1.035 -10.244 -10.244
  212    HA   LYS  28           HA       LYS  28  -1.222 -11.507 -11.507
  213   1HB   LYS  28          2HB       LYS  28  -0.553  -8.985  -8.985
  214   2HB   LYS  28          1HB       LYS  28   0.491  -9.436  -9.436
  215   1HG   LYS  28          2HG       LYS  28  -1.557 -10.521 -10.521
  216   2HG   LYS  28          1HG       LYS  28  -2.515  -9.717  -9.717
  217   1HD   LYS  28          2HD       LYS  28  -1.258  -7.562  -7.562
  218   2HD   LYS  28          1HD       LYS  28  -0.905  -8.488  -8.488
  219   1HE   LYS  28          2HE       LYS  28  -3.652  -7.883  -7.883
  220   2HE   LYS  28          1HE       LYS  28  -2.958  -7.229  -7.229
  221   1HZ   LYS  28          3HZ       LYS  28  -2.737  -9.635  -9.635
  222   2HZ   LYS  28          2HZ       LYS  28  -3.782 -10.011 -10.011
  223   3HZ   LYS  28          1HZ       LYS  28  -4.306  -8.989  -8.989
  224    H    HIS  29           H        HIS  29   2.253 -11.475 -11.475
  225    HA   HIS  29           HA       HIS  29   2.380 -12.522 -12.522
  226   1HB   HIS  29          2HB       HIS  29   4.241 -12.443 -12.443
  227   2HB   HIS  29          1HB       HIS  29   4.623 -13.527 -13.527
  228    HD1  HIS  29           HD1      HIS  29   3.751 -11.909 -11.909
  229    HD2  HIS  29           HD2      HIS  29   5.792 -10.210 -10.210
  230    HE1  HIS  29           HE1      HIS  29   4.839  -9.798  -9.798
  231    H    LYS  30           H        LYS  30   1.896 -14.035 -14.035
  232    HA   LYS  30           HA       LYS  30   2.236 -16.729 -16.729
  233   1HB   LYS  30          2HB       LYS  30   1.348 -15.495 -15.495
  234   2HB   LYS  30          1HB       LYS  30   1.004 -17.198 -17.198
  235   1HG   LYS  30          2HG       LYS  30   3.561 -17.225 -17.225
  236   2HG   LYS  30          1HG       LYS  30   3.642 -15.826 -15.826
  237   1HD   LYS  30          2HD       LYS  30   2.652 -17.153 -17.153
  238   2HD   LYS  30          1HD       LYS  30   2.548 -18.552 -18.552
  239   1HE   LYS  30          2HE       LYS  30   4.990 -18.561 -18.561
  240   2HE   LYS  30          1HE       LYS  30   5.116 -17.132 -17.132
  241   1HZ   LYS  30          3HZ       LYS  30   3.838 -19.640 -19.640
  242   2HZ   LYS  30          2HZ       LYS  30   5.499 -19.337 -19.337
  243   3HZ   LYS  30          1HZ       LYS  30   4.353 -18.325 -18.325
  244    H    LEU  31           H        LEU  31  -0.563 -14.834 -14.834
  245    HA   LEU  31           HA       LEU  31  -2.538 -16.718 -16.718
  246   1HB   LEU  31          2HB       LEU  31  -2.679 -14.493 -14.493
  247   2HB   LEU  31          1HB       LEU  31  -3.103 -13.782 -13.782
  248    HG   LEU  31           HG       LEU  31  -4.485 -16.316 -16.316
  249   1HD1  LEU  31          1HD1      LEU  31  -4.495 -14.973 -14.973
  250   2HD1  LEU  31          3HD1      LEU  31  -5.235 -13.642 -13.642
  251   3HD1  LEU  31          2HD1      LEU  31  -6.105 -15.163 -15.163
  252   1HD2  LEU  31          2HD2      LEU  31  -4.772 -14.861 -14.861
  253   2HD2  LEU  31          1HD2      LEU  31  -6.241 -15.371 -15.371
  254   3HD2  LEU  31          3HD2      LEU  31  -5.628 -13.731 -13.731
  255    H    GLU  32           H        GLU  32  -1.267 -13.911 -13.911
  256    HA   GLU  32           HA       GLU  32  -2.902 -14.121 -14.121
  257   1HB   GLU  32          2HB       GLU  32  -1.364 -12.193 -12.193
  258   2HB   GLU  32          1HB       GLU  32  -0.036 -13.168 -13.168
  259   1HG   GLU  32          2HG       GLU  32  -1.254 -13.363 -13.363
  260   2HG   GLU  32          1HG       GLU  32  -2.499 -12.285 -12.285
  261    H    GLN  33           H        GLN  33  -0.006 -15.844 -15.844
  262    HA   GLN  33           HA       GLN  33   0.753 -16.906 -16.906
  263   1HB   GLN  33          2HB       GLN  33   2.074 -17.042 -17.042
  264   2HB   GLN  33          1HB       GLN  33   0.983 -18.331 -18.331
  265   1HG   GLN  33          2HG       GLN  33   2.792 -19.482 -19.482
  266   2HG   GLN  33          1HG       GLN  33   1.566 -19.447 -19.447
  267   1HE2  GLN  33          2HE2      GLN  33   4.930 -17.131 -17.131
  268   2HE2  GLN  33          1HE2      GLN  33   4.504 -17.717 -17.717
  269    H    LEU  34           H        LEU  34  -1.730 -17.843 -17.843
  270    HA   LEU  34           HA       LEU  34  -3.460 -19.346 -19.346
  271   1HB   LEU  34          2HB       LEU  34  -2.804 -19.233 -19.233
  272   2HB   LEU  34          1HB       LEU  34  -4.237 -20.001 -20.001
  273    HG   LEU  34           HG       LEU  34  -3.684 -17.198 -17.198
  274   1HD1  LEU  34          2HD1      LEU  34  -4.305 -18.052 -18.052
  275   2HD1  LEU  34          1HD1      LEU  34  -5.101 -16.611 -16.611
  276   3HD1  LEU  34          3HD1      LEU  34  -3.340 -16.689 -16.689
  277   1HD2  LEU  34          1HD2      LEU  34  -6.155 -18.777 -18.777
  278   2HD2  LEU  34          3HD2      LEU  34  -5.632 -18.404 -18.404
  279   3HD2  LEU  34          2HD2      LEU  34  -6.175 -17.110 -17.110
  280   1HN   NH2  35          1HT       LEU  34  -1.594 -20.790 -20.790
  281   2HN   NH2  35          2HT       LEU  34  -1.247 -22.236 -22.236
  282   1H    ACE   2          1HA       ACE   2   2.777  22.432  22.432
  283   2H    ACE   2          2HA       ACE   2   4.055  23.544  23.544
  284   3H    ACE   2          3HA       ACE   2   2.407  24.135  24.135
  285    H    CYS   3           H        CYS   3   4.644  22.574  22.574
  286    HA   CYS   3           HA       CYS   3   4.570  22.048  22.048
  287   1HB   CYS   3          2HB       CYS   3   3.552  24.417  24.417
  288   2HB   CYS   3          1HB       CYS   3   1.997  23.602  23.602
  289    H    GLY   4           H        GLY   4   4.187  19.850  19.850
  290   1HA   GLY   4          2HA       GLY   4   3.062  17.868  17.868
  291   2HA   GLY   4          1HA       GLY   4   1.823  18.814  18.814
  292    H    GLY   5           H        GLY   5   0.774  16.831  16.831
  293   1HA   GLY   5          2HA       GLY   5   0.010  17.753  17.753
  294   2HA   GLY   5          1HA       GLY   5  -0.162  16.106  16.106
  295    H    MET   6           H        MET   6  -1.019  18.951  18.951
  296    HA   MET   6           HA       MET   6  -3.018  19.686  19.686
  297   1HB   MET   6          2HB       MET   6  -3.821  18.669  18.669
  298   2HB   MET   6          1HB       MET   6  -5.067  19.159  19.159
  299   1HG   MET   6          2HG       MET   6  -3.547  21.293  21.293
  300   2HG   MET   6          1HG       MET   6  -2.929  20.819  20.819
  301   1HE   MET   6          1HE       MET   6  -3.879  23.302  23.302
  302   2HE   MET   6          3HE       MET   6  -5.149  23.825  23.825
  303   3HE   MET   6          2HE       MET   6  -5.539  23.462  23.462
  304    H    ARG   7           H        ARG   7  -5.431  18.803  18.803
  305    HA   ARG   7           HA       ARG   7  -5.162  16.571  16.571
  306   1HB   ARG   7          2HB       ARG   7  -7.445  18.216  18.216
  307   2HB   ARG   7          1HB       ARG   7  -7.802  16.667  16.667
  308   1HG   ARG   7          2HG       ARG   7  -6.106  17.526  17.526
  309   2HG   ARG   7          1HG       ARG   7  -6.526  19.111  19.111
  310   1HD   ARG   7          2HD       ARG   7  -8.583  17.075  17.075
  311   2HD   ARG   7          1HD       ARG   7  -7.971  18.347  18.347
  312    HE   ARG   7           HE       ARG   7  -8.891  19.493  19.493
  313   1HH1  ARG   7          1HH1      ARG   7 -10.092  17.948  17.948
  314   2HH1  ARG   7          2HH1      ARG   7 -11.609  18.778  18.778
  315   1HH2  ARG   7          1HH2      ARG   7 -10.881  20.553  20.553
  316   2HH2  ARG   7          2HH2      ARG   7 -12.054  20.240  20.240
  317    H    ARG   8           H        ARG   8  -6.062  16.881  16.881
  318    HA   ARG   8           HA       ARG   8  -7.401  14.448  14.448
  319   1HB   ARG   8          2HB       ARG   8  -5.783  16.239  16.239
  320   2HB   ARG   8          1HB       ARG   8  -6.326  14.670  14.670
  321   1HG   ARG   8          2HG       ARG   8  -8.312  16.432  16.432
  322   2HG   ARG   8          1HG       ARG   8  -7.855  16.824  16.824
  323   1HD   ARG   8          2HD       ARG   8  -8.253  14.191  14.191
  324   2HD   ARG   8          1HD       ARG   8  -9.338  14.462  14.462
  325    HE   ARG   8           HE       ARG   8 -10.756  15.625  15.625
  326   1HH1  ARG   8          1HH1      ARG   8  -7.616  15.256  15.256
  327   2HH1  ARG   8          2HH1      ARG   8  -8.149  15.873  15.873
  328   1HH2  ARG   8          1HH2      ARG   8 -11.409  16.423  16.423
  329   2HH2  ARG   8          2HH2      ARG   8 -10.277  16.529  16.529
  330    H    LYS   9           H        LYS   9  -3.943  15.197  15.197
  331    HA   LYS   9           HA       LYS   9  -3.146  12.556  12.556
  332   1HB   LYS   9          2HB       LYS   9  -1.823  14.767  14.767
  333   2HB   LYS   9          1HB       LYS   9  -1.348  14.517  14.517
  334   1HG   LYS   9          2HG       LYS   9   0.359  13.470  13.470
  335   2HG   LYS   9          1HG       LYS   9  -0.658  12.150  12.150
  336   1HD   LYS   9          2HD       LYS   9  -1.755  11.934  11.934
  337   2HD   LYS   9          1HD       LYS   9  -1.101  13.467  13.467
  338   1HE   LYS   9          2HE       LYS   9   0.209  11.742  11.742
  339   2HE   LYS   9          1HE       LYS   9   1.212  12.440  12.440
  340   1HZ   LYS   9          1HZ       LYS   9  -0.495  10.070  10.070
  341   2HZ   LYS   9          3HZ       LYS   9   1.091   9.930   9.930
  342   3HZ   LYS   9          2HZ       LYS   9   0.808  10.633  10.633
  343    H    ASN  10           H        ASN  10  -3.571  14.275  14.275
  344    HA   ASN  10           HA       ASN  10  -2.312  12.287  12.287
  345   1HB   ASN  10          2HB       ASN  10  -4.231  14.531  14.531
  346   2HB   ASN  10          1HB       ASN  10  -3.477  13.494  13.494
  347   1HD2  ASN  10          2HD2      ASN  10  -0.793  15.781  15.781
  348   2HD2  ASN  10          1HD2      ASN  10  -2.025  15.001  15.001
  349    H    ASP  11           H        ASP  11  -5.570  12.896  12.896
  350    HA   ASP  11           HA       ASP  11  -6.936  11.103  11.103
  351   1HB   ASP  11          2HB       ASP  11  -8.003  12.875  12.875
  352   2HB   ASP  11          1HB       ASP  11  -7.732  11.802  11.802
  353    H    THR  12           H        THR  12  -5.557  10.724  10.724
  354    HA   THR  12           HA       THR  12  -6.358   8.048   8.048
  355    HB   THR  12           HB       THR  12  -4.304   8.036   8.036
  356    HG1  THR  12           HG1      THR  12  -3.222   9.870   9.870
  357   1HG2  THR  12          1HG2      THR  12  -6.775   9.686   9.686
  358   2HG2  THR  12          3HG2      THR  12  -5.552  10.002  10.002
  359   3HG2  THR  12          2HG2      THR  12  -6.236   8.385   8.385
  360    H    HIS  13           H        HIS  13  -3.627   9.480   9.480
  361    HA   HIS  13           HA       HIS  13  -2.022   7.171   7.171
  362   1HB   HIS  13          2HB       HIS  13  -2.243   9.750   9.750
  363   2HB   HIS  13          1HB       HIS  13  -1.274   8.441   8.441
  364    HD1  HIS  13           HD1      HIS  13   0.259   7.273   7.273
  365    HD2  HIS  13           HD2      HIS  13  -0.598  11.354  11.354
  366    HE1  HIS  13           HE1      HIS  13   1.963   8.361   8.361
  367    H    GLN  14           H        GLN  14  -4.432   8.589   8.589
  368    HA   GLN  14           HA       GLN  14  -4.258   6.625   6.625
  369   1HB   GLN  14          2HB       GLN  14  -6.360   8.615   8.615
  370   2HB   GLN  14          1HB       GLN  14  -6.708   7.411   7.411
  371   1HG   GLN  14          2HG       GLN  14  -4.915   8.181   8.181
  372   2HG   GLN  14          1HG       GLN  14  -4.257   9.180   9.180
  373   1HE2  GLN  14          2HE2      GLN  14  -6.388  11.246  11.246
  374   2HE2  GLN  14          1HE2      GLN  14  -5.128  10.143  10.143
  375    H    GLN  15           H        GLN  15  -6.407   6.924   6.924
  376    HA   GLN  15           HA       GLN  15  -7.925   4.584   4.584
  377   1HB   GLN  15          2HB       GLN  15  -8.359   6.558   6.558
  378   2HB   GLN  15          1HB       GLN  15  -7.448   5.545   5.545
  379   1HG   GLN  15          2HG       GLN  15  -8.986   3.678   3.678
  380   2HG   GLN  15          1HG       GLN  15  -9.880   4.642   4.642
  381   1HE2  GLN  15          2HE2      GLN  15 -10.998   6.928   6.928
  382   2HE2  GLN  15          1HE2      GLN  15 -10.158   7.093   7.093
  383    H    ASP  16           H        ASP  16  -5.210   5.177   5.177
  384    HA   ASP  16           HA       ASP  16  -4.961   2.553   2.553
  385   1HB   ASP  16          2HB       ASP  16  -3.782   4.749   4.749
  386   2HB   ASP  16          1HB       ASP  16  -2.555   4.301   4.301
  387    H    ILE  17           H        ILE  17  -3.473   4.139   4.139
  388    HA   ILE  17           HA       ILE  17  -1.792   2.011   2.011
  389    HB   ILE  17           HB       ILE  17  -2.992   4.376   4.376
  390   1HG1  ILE  17          2HG1      ILE  17  -1.071   4.716   4.716
  391   2HG1  ILE  17          1HG1      ILE  17  -0.630   5.047   5.047
  392   1HG2  ILE  17          3HG2      ILE  17  -1.807   1.964   1.964
  393   2HG2  ILE  17          2HG2      ILE  17  -1.190   3.513   3.513
  394   3HG2  ILE  17          1HG2      ILE  17  -2.915   3.161   3.161
  395   1HD1  ILE  17          1HD1      ILE  17   0.156   2.572   2.572
  396   2HD1  ILE  17          3HD1      ILE  17   0.092   2.659   2.659
  397   3HD1  ILE  17          2HD1      ILE  17   1.163   3.734   3.734
  398    H    ASP  18           H        ASP  18  -4.628   3.055   3.055
  399    HA   ASP  18           HA       ASP  18  -5.031   0.843   0.843
  400   1HB   ASP  18          2HB       ASP  18  -6.805   2.984   2.984
  401   2HB   ASP  18          1HB       ASP  18  -7.617   1.551   1.551
  402    H    ASP  19           H        ASP  19  -5.856   1.208   1.208
  403    HA   ASP  19           HA       ASP  19  -7.557  -1.105  -1.105
  404   1HB   ASP  19          2HB       ASP  19  -7.636   0.787   0.787
  405   2HB   ASP  19          1HB       ASP  19  -6.071   0.259   0.259
  406    H    LEU  20           H        LEU  20  -4.141  -0.433  -0.433
  407    HA   LEU  20           HA       LEU  20  -3.455  -2.932  -2.932
  408   1HB   LEU  20          2HB       LEU  20  -1.865  -0.836  -0.836
  409   2HB   LEU  20          1HB       LEU  20  -1.124  -2.332  -2.332
  410    HG   LEU  20           HG       LEU  20  -2.768  -0.627  -0.627
  411   1HD1  LEU  20          3HD1      LEU  20   0.111  -0.274  -0.274
  412   2HD1  LEU  20          2HD1      LEU  20  -0.462   0.264   0.264
  413   3HD1  LEU  20          1HD1      LEU  20  -1.155   0.950   0.950
  414   1HD2  LEU  20          3HD2      LEU  20  -0.746  -2.840  -2.840
  415   2HD2  LEU  20          2HD2      LEU  20  -2.301  -2.678  -2.678
  416   3HD2  LEU  20          1HD2      LEU  20  -0.924  -1.710  -1.710
  417    H    LYS  21           H        LYS  21  -3.560  -1.762  -1.762
  418    HA   LYS  21           HA       LYS  21  -2.406  -4.046  -4.046
  419   1HB   LYS  21          2HB       LYS  21  -4.299  -1.936  -1.936
  420   2HB   LYS  21          1HB       LYS  21  -3.627  -3.215  -3.215
  421   1HG   LYS  21          2HG       LYS  21  -1.704  -1.680  -1.680
  422   2HG   LYS  21          1HG       LYS  21  -2.408  -0.837  -0.837
  423   1HD   LYS  21          2HD       LYS  21  -1.750  -2.800  -2.800
  424   2HD   LYS  21          1HD       LYS  21  -0.879  -3.451  -3.451
  425   1HE   LYS  21          2HE       LYS  21   0.780  -1.872  -1.872
  426   2HE   LYS  21          1HE       LYS  21  -0.314  -0.617  -0.617
  427   1HZ   LYS  21          2HZ       LYS  21   0.660  -2.920  -2.920
  428   2HZ   LYS  21          1HZ       LYS  21   1.250  -1.331  -1.331
  429   3HZ   LYS  21          3HZ       LYS  21  -0.351  -1.672  -1.672
  430    H    ARG  22           H        ARG  22  -5.773  -3.126  -3.126
  431    HA   ARG  22           HA       ARG  22  -6.975  -5.384  -5.384
  432   1HB   ARG  22          2HB       ARG  22  -8.166  -3.269  -3.269
  433   2HB   ARG  22          1HB       ARG  22  -8.065  -3.820  -3.820
  434   1HG   ARG  22          2HG       ARG  22  -9.609  -5.493  -5.493
  435   2HG   ARG  22          1HG       ARG  22  -9.133  -5.761  -5.761
  436   1HD   ARG  22          2HD       ARG  22 -10.372  -3.132  -3.132
  437   2HD   ARG  22          1HD       ARG  22 -11.435  -4.535  -4.535
  438    HE   ARG  22           HE       ARG  22 -10.246  -3.353  -3.353
  439   1HH1  ARG  22          1HH1      ARG  22 -11.559  -6.283  -6.283
  440   2HH1  ARG  22          2HH1      ARG  22 -11.970  -6.965  -6.965
  441   1HH2  ARG  22          1HH2      ARG  22 -10.799  -4.281  -4.281
  442   2HH2  ARG  22          2HH2      ARG  22 -11.545  -5.844  -5.844
  443    H    GLN  23           H        GLN  23  -5.586  -4.828  -4.828
  444    HA   GLN  23           HA       GLN  23  -6.617  -7.290  -7.290
  445   1HB   GLN  23          2HB       GLN  23  -4.841  -5.084  -5.084
  446   2HB   GLN  23          1HB       GLN  23  -4.749  -6.644  -6.644
  447   1HG   GLN  23          2HG       GLN  23  -7.361  -5.198  -5.198
  448   2HG   GLN  23          1HG       GLN  23  -6.430  -5.016  -5.016
  449   1HE2  GLN  23          2HE2      GLN  23  -8.544  -8.439  -8.439
  450   2HE2  GLN  23          1HE2      GLN  23  -8.415  -7.261  -7.261
  451    H    ASN  24           H        ASN  24  -3.394  -6.075  -6.075
  452    HA   ASN  24           HA       ASN  24  -2.010  -8.495  -8.495
  453   1HB   ASN  24          2HB       ASN  24  -1.351  -6.280  -6.280
  454   2HB   ASN  24          1HB       ASN  24  -0.237  -7.529  -7.529
  455   1HD2  ASN  24          2HD2      ASN  24   0.664  -5.031  -5.031
  456   2HD2  ASN  24          1HD2      ASN  24   1.106  -5.733  -5.733
  457    H    ALA  25           H        ALA  25  -3.822  -7.280  -7.280
  458    HA   ALA  25           HA       ALA  25  -2.913  -9.203  -9.203
  459   1HB   ALA  25          2HB       ALA  25  -5.448  -7.552  -7.552
  460   2HB   ALA  25          1HB       ALA  25  -4.969  -8.547  -8.547
  461   3HB   ALA  25          3HB       ALA  25  -3.973  -7.174  -7.174
  462    H    LEU  26           H        LEU  26  -5.807  -9.013  -9.013
  463    HA   LEU  26           HA       LEU  26  -6.816 -11.567 -11.567
  464   1HB   LEU  26          2HB       LEU  26  -7.551  -9.597  -9.597
  465   2HB   LEU  26          1HB       LEU  26  -8.228 -11.225 -11.225
  466    HG   LEU  26           HG       LEU  26  -8.292  -9.705  -9.705
  467   1HD1  LEU  26          1HD1      LEU  26  -9.159  -8.270  -8.270
  468   2HD1  LEU  26          3HD1      LEU  26 -10.491  -9.424  -9.424
  469   3HD1  LEU  26          2HD1      LEU  26 -10.216  -8.471  -8.471
  470   1HD2  LEU  26          3HD2      LEU  26  -9.014 -12.172 -12.172
  471   2HD2  LEU  26          2HD2      LEU  26 -10.085 -11.145 -11.145
  472   3HD2  LEU  26          1HD2      LEU  26 -10.434 -11.441 -11.441
  473    H    LEU  27           H        LEU  27  -4.959 -10.369 -10.369
  474    HA   LEU  27           HA       LEU  27  -4.998 -12.753 -12.753
  475   1HB   LEU  27          2HB       LEU  27  -3.039 -10.453 -10.453
  476   2HB   LEU  27          1HB       LEU  27  -2.907 -11.787 -11.787
  477    HG   LEU  27           HG       LEU  27  -5.513 -10.317 -10.317
  478   1HD1  LEU  27          2HD1      LEU  27  -3.505  -8.715  -8.715
  479   2HD1  LEU  27          1HD1      LEU  27  -3.365  -9.458  -9.458
  480   3HD1  LEU  27          3HD1      LEU  27  -4.843  -8.608  -8.608
  481   1HD2  LEU  27          1HD2      LEU  27  -4.071 -11.721 -11.721
  482   2HD2  LEU  27          3HD2      LEU  27  -5.415 -12.377 -12.377
  483   3HD2  LEU  27          2HD2      LEU  27  -5.668 -10.984 -10.984
  484    H    GLU  28           H        GLU  28  -2.588 -11.457 -11.457
  485    HA   GLU  28           HA       GLU  28  -0.759 -13.591 -13.591
  486   1HB   GLU  28          2HB       GLU  28  -0.261 -11.404 -11.404
  487   2HB   GLU  28          1HB       GLU  28  -1.345 -11.822 -11.822
  488   1HG   GLU  28          2HG       GLU  28   0.151 -13.252 -13.252
  489   2HG   GLU  28          1HG       GLU  28   0.684 -13.878 -13.878
  490    H    GLN  29           H        GLN  29  -3.579 -13.071 -13.071
  491    HA   GLN  29           HA       GLN  29  -3.314 -15.167 -15.167
  492   1HB   GLN  29          2HB       GLN  29  -5.177 -13.304 -13.304
  493   2HB   GLN  29          1HB       GLN  29  -6.025 -14.619 -14.619
  494   1HG   GLN  29          2HG       GLN  29  -4.734 -15.092 -15.092
  495   2HG   GLN  29          1HG       GLN  29  -6.326 -14.337 -14.337
  496   1HE2  GLN  29          2HE2      GLN  29  -7.972 -17.311 -17.311
  497   2HE2  GLN  29          1HE2      GLN  29  -8.101 -15.625 -15.625
  498    H    GLN  30           H        GLN  30  -5.000 -15.241 -15.241
  499    HA   GLN  30           HA       GLN  30  -5.571 -18.035 -18.035
  500   1HB   GLN  30          2HB       GLN  30  -6.095 -17.811 -17.811
  501   2HB   GLN  30          1HB       GLN  30  -6.931 -16.630 -16.630
  502   1HG   GLN  30          2HG       GLN  30  -5.438 -14.883 -14.883
  503   2HG   GLN  30          1HG       GLN  30  -4.293 -16.022 -16.022
  504   1HE2  GLN  30          2HE2      GLN  30  -7.581 -14.866 -14.866
  505   2HE2  GLN  30          1HE2      GLN  30  -7.463 -14.485 -14.485
  506    H    VAL  31           H        VAL  31  -2.867 -16.155 -16.155
  507    HA   VAL  31           HA       VAL  31  -1.661 -18.266 -18.266
  508    HB   VAL  31           HB       VAL  31  -0.385 -15.787 -15.787
  509   1HG1  VAL  31          1HG1      VAL  31   0.518 -17.832 -17.832
  510   2HG1  VAL  31          3HG1      VAL  31   1.191 -16.203 -16.203
  511   3HG1  VAL  31          2HG1      VAL  31   1.376 -17.259 -17.259
  512   1HG2  VAL  31          3HG2      VAL  31  -2.400 -15.829 -15.829
  513   2HG2  VAL  31          2HG2      VAL  31  -1.142 -14.597 -14.597
  514   3HG2  VAL  31          1HG2      VAL  31  -1.000 -15.970 -15.970
  515    H    ARG  32           H        ARG  32  -1.449 -17.131 -17.131
  516    HA   ARG  32           HA       ARG  32   0.798 -18.730 -18.730
  517   1HB   ARG  32          2HB       ARG  32  -1.164 -17.012 -17.012
  518   2HB   ARG  32          1HB       ARG  32  -0.583 -18.363 -18.363
  519   1HG   ARG  32          2HG       ARG  32   1.270 -16.503 -16.503
  520   2HG   ARG  32          1HG       ARG  32   0.804 -16.245 -16.245
  521   1HD   ARG  32          2HD       ARG  32   1.918 -18.896 -18.896
  522   2HD   ARG  32          1HD       ARG  32   2.999 -17.561 -17.561
  523    HE   ARG  32           HE       ARG  32   1.437 -19.117 -19.117
  524   1HH1  ARG  32          1HH1      ARG  32   3.054 -16.063 -16.063
  525   2HH1  ARG  32          2HH1      ARG  32   3.272 -15.735 -15.735
  526   1HH2  ARG  32          1HH2      ARG  32   1.742 -18.646 -18.646
  527   2HH2  ARG  32          2HH2      ARG  32   2.535 -17.183 -17.183
  528    H    ALA  33           H        ALA  33  -2.709 -19.175 -19.175
  529    HA   ALA  33           HA       ALA  33  -2.608 -21.683 -21.683
  530   1HB   ALA  33          2HB       ALA  33  -4.751 -20.347 -20.347
  531   2HB   ALA  33          1HB       ALA  33  -4.981 -21.909 -21.909
  532   3HB   ALA  33          3HB       ALA  33  -4.664 -20.470 -20.470
  533    H    LEU  34           H        LEU  34  -3.063 -20.781 -20.781
  534    HA   LEU  34           HA       LEU  34  -2.805 -23.584 -23.584
  535   1HB   LEU  34          2HB       LEU  34  -3.612 -21.050 -21.050
  536   2HB   LEU  34          1HB       LEU  34  -3.070 -22.432 -22.432
  537    HG   LEU  34           HG       LEU  34  -4.749 -23.845 -23.845
  538   1HD1  LEU  34          3HD1      LEU  34  -5.479 -21.116 -21.116
  539   2HD1  LEU  34          2HD1      LEU  34  -6.624 -22.458 -22.458
  540   3HD1  LEU  34          1HD1      LEU  34  -5.127 -22.586 -22.586
  541   1HD2  LEU  34          2HD2      LEU  34  -5.103 -22.630 -22.630
  542   2HD2  LEU  34          1HD2      LEU  34  -6.536 -23.220 -23.220
  543   3HD2  LEU  34          3HD2      LEU  34  -6.111 -21.510 -21.510
  544   1HN   NH2  35          1HT       LEU  34  -1.371 -20.656 -20.656
  545   2HN   NH2  35          2HT       LEU  34   0.192 -21.308 -21.308