*HEADER    TRANSPORT PROTEIN                       20-JAN-15   2MY5              
*TITLE     SOLUTION STRUCTURE OF KSTB-PCP IN KOSINOSTATIN BIOSYNTHESIS           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PEPTIDYL CARRIER PROTEIN;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MICROMONOSPORA SP. TP-A0468;                    
*SOURCE   3 ORGANISM_TAXID: 1182970;                                             
*SOURCE   4 GENE: KSTB2;                                                         
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: ROSETTA(DE3);                              
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET28A                                     
*KEYWDS    PPANT BINNDING DOMAIN, TRANSPORT PROTEIN                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    B.ZHAO, W.LAN, C.WANG, G.TANG, C.CAO                                  
*REVDAT   1   20-JAN-16 2MY5    0                                                


!Met-1

!intra

assign (resid 1 and name HT#) (resid 1 and name HB#)   1.8 0.0 1.7

assign (resid 1 and name HT#) (resid 1 and name HG1)   1.8 0.0 1.7
assign (resid 1 and name HT#) (resid 1 and name HG2)   1.8 0.0 1.7

assign (resid 1 and name HA) (resid 1 and name HT#)    1.8 0.0 1.7

assign (resid 1 and name HA) (resid 1 and name HG#)    1.8 0.0 1.7      ! only HG2

assign (resid 1 and name HB#) (resid 1 and name HG1) 1.8 0.0 1.7
assign (resid 1 and name HB#) (resid 1 and name HG2) 1.8 0.0 1.7

!inter

assign (resid 1 and name HA) (resid 2 and name HN)    1.8 0.0 1.7

assign (resid 1 and name HT#) (resid 2 and name HN)    1.8 0.0 1.7

assign (resid 1 and name HB#) (resid 4 and name HB#)  1.8 0.0 1.7








!Gln-2

!intra

assign (resid 2 and name HA) (resid 2 and name HB#)   1.8 0.0 1.1

assign (resid 2 and name HA) (resid 2 and name HN)    1.8 0.0 1.7

assign (resid 2 and name HA) (resid 2 and name HG#)   1.8 0.0 1.7

assign (resid 2 and name HB#) (resid 2 and name HN)   1.8 0.0 1.7

assign (resid 2 and name HB1) (resid 2 and name HG#)  1.8 0.0 1.1
assign (resid 2 and name HB2) (resid 2 and name HG#)  1.8 0.0 1.1

assign (resid 2 and name HG#) (resid 2 and name HA)   1.8 0.0 1.7

assign (resid 2 and name HG#) (resid 2 and name HN)   1.8 0.0 3.2

assign (resid 2 and name HG#) (resid 2 and name HE22)  1.8 0.0 3.2   
!changefromA4_HA


!inter

assign (resid 2 and name HN) (resid 1 and name HG1) 1.8 0.0 3.2
assign (resid 2 and name HN) (resid 1 and name HG2) 1.8 0.0 3.2

assign (resid 2 and name HN) (resid 3 and name HN) 1.8 0.0 3.2

assign (resid 2 and name HN) (resid 3 and name HB#) 1.8 0.0 4.5   !new


assign (resid 2 and name HN) ((resid 4 and name HN) or (resid 2 and name HE2#)) 1.8 0.0 3.2


assign (resid 2 and name HB#) (resid 77 and name HG#) 1.8 0.0 1.7   ! only HG2#

assign (resid 2 and name HG#) (resid 77 and name HG1#) 1.8 0.0 3.2
assign (resid 2 and name HG#) (resid 77 and name HG2#) 1.8 0.0 1.7

assign (resid 2 and name HG#) (resid 77 and (name HG1# or name HG2#)) 1.8 0.0 3.2
!20111020






!His-3

!intra

assign (resid 3 and name HN) (resid 3 and name HB1) 1.8 0.0 3.2
assign (resid 3 and name HN) (resid 3 and name HB2) 1.8 0.0 3.2

assign (resid 3 and name HN) (resid 3 and name HA)    1.8 0.0 3.2

assign (resid 3 and name HA) (resid 3 and name HB1)   1.8 0.0 3.2
assign (resid 3 and name HA) (resid 3 and name HB2)   1.8 0.0 1.7

!inter

assign (resid 3 and name HN) (resid 2 and name HB#) 1.8 0.0 3.2

assign (resid 3 and name HN) (resid 2 and name HA) 1.8 0.0 3.2

assign (resid 3 and name HN) (resid 2 and name HG#) 1.8 0.0 3.2


assign (resid 3 and name HN) (resid 4 and name HN) 1.8 0.0 1.7


assign (resid 3 and name HB1) (resid 6 and name HG#)  1.8 0.0 4.2
assign (resid 3 and name HB2) (resid 6 and name HG#)  1.8 0.0 4.2

assign (resid 3 and name HA)  (resid 6 and name HG#)  1.8 0.0 2.5

assign (resid 3 and name HB1) (resid 7 and name HD1#)  1.8 0.0 3.5
assign (resid 3 and name HB2) (resid 7 and name HD1#)  1.8 0.0 3.2








!Ala-4

!intra

assign (resid 4 and name HN) (resid 4 and name HA) 1.8 0.0 1.7

assign (resid 4 and name HA) (resid 4 and name HB#)  1.8 0.0 1.1

assign (resid 4 and name HB#) (resid 4 and name HN)  1.8 0.0 1.7

!inter

assign (resid 4 and name HN) (resid 1 and name HB#) 1.8 0.0 3.2

assign (resid 4 and name HN) (resid 3 and name HN) 1.8 0.0 1.7

assign (resid 4 and name HN) (resid 3 and name HA) 1.8 0.0 1.7

!!assign (resid 4 and name HN) (resid 3 and name HB1) 1.8 0.0 3.2
!!assign (resid 4 and name HN) (resid 3 and name HB2) 1.8 0.0 3.2

assign (resid 4 and name HN) (resid 5 and name HN) 1.8 0.0 3.2


assign (resid 4 and name HA) (resid 1 and name HG#)  1.8 0.0 3.2

assign (resid 4 and name HA) (resid 7 and name HB)   1.8 0.0 3.2    ! double emerge

! assign (resid 4 and name HA) (resid 69 and name HD1#)  1.8 0.0 4.2  ! 1201110

assign (resid 4 and name HB#) (resid 5 and name HA)   1.8 0.0 3.2



!Ser-5

!intra

assign (resid 5 and name HN) (resid 5 and name HA) 1.8 0.0 3.2

assign (resid 5 and name HN) (resid 5 and name HB#) 1.8 0.0 3.2

!inter

assign (resid 5 and name HN) (resid 4 and name HA) 1.8 0.0 3.2

assign (resid 5 and name HN) (resid 4 and name HB#) 1.8 0.0 3.2


assign (resid 5 and name HN) (resid 6 and name HN) 1.8 0.0 3.2

assign (resid 5 and name HA) (resid 6 and name HG#) 1.8 0.0 3.2







!Val-6

!intra

assign (resid 6 and name HA) (resid 6 and name HN)  1.8 0.0 1.7

assign (resid 6 and name HA) (resid 6 and name HB)  1.8 0.0 1.1

assign (resid 6 and name HB) (resid 6 and name HN)  1.8 0.0 1.7


assign (resid 6 and name HA) (resid 6 and name HG#) 1.8 0.0 1.1

assign (resid 6 and name HG#) (resid 6 and name HN) 1.8 0.0 1.7

assign (resid 6 and name HG#) (resid 6 and name HB) 1.8 0.0 1.1


!inter

assign (resid 6 and name HN)  (resid 3 and name HA)  1.8 0.0 4.2

assign (resid 6 and name HB)  (resid 3 and name HB#) 1.8 0.0 3.2

!!assign (resid 6 and name HN)  (resid 3 and name HB1) 1.8 0.0 4.2
!!assign (resid 6 and name HN)  (resid 3 and name HB2) 1.8 0.0 4.2
! 20110919

assign (resid 6 and name HN) (resid 4 and name HN) 1.8 0.0 4.2

assign (resid 6 and name HN) (resid 4 and name HA) 1.8 0.0 4.2

assign (resid 6 and name HN) (resid 4 and name HB#) 1.8 0.0 4.2

assign (resid 6 and name HN) (resid 5 and name HA) 1.8 0.0 1.7
assign (resid 6 and name HN) (resid 5 and name HN) 1.8 0.0 1.7

assign (resid 6 and name HN)  (resid 7 and name HD1#)  1.8 0.0 3.2    

assign (resid 6 and name HN) (resid 7 and name HN)   1.8 0.0 1.7    !  double emerge 

assign (resid 6 and name HN) (resid 8 and name HN) 1.8 0.0 3.2


assign (resid 6 and name HA)  (resid 9 and name HB#) 1.8 0.0 2.5

assign (resid 6 and name HB)  (resid 7 and name HN)  1.8 0.0 3.2    

assign (resid 6 and name HG#) (resid 10 and name HZ)  1.8 0.0 4.5

assign (resid 6 and name HG#) (resid 10 and name HE#)  1.8 0.0 3.2







!Ile-7

!intra

assign (resid 7 and name HA) (resid 7 and name HN) 1.8 0.0 1.7   ! certain

assign (resid 7 and name HA) (resid 7 and name HG12) 1.8 0.0 1.7
assign (resid 7 and name HA) (resid 7 and name HG11) 1.8 0.0 1.7

assign (resid 7 and name HA) (resid 7 and name HG2#) 1.8 0.0 1.1

assign (resid 7 and name HB) (resid 7 and name HN) 1.8 0.0 1.7

assign (resid 7 and name HB) (resid 7 and name HA) 1.8 0.0 1.7


assign (resid 7 and name HB) (resid 7 and name HG11) 1.8 0.0 1.7
assign (resid 7 and name HB) (resid 7 and name HG12) 1.8 0.0 1.7

assign (resid 7 and name HB) (resid 7 and name HG2#) 1.8 0.0 1.1

assign (resid 7 and name HB) (resid 7 and name HD1#)  1.8 0.0 1.1


assign (resid 7 and name HD1#) (resid 7 and name HG11) 1.8 0.0 1.1
assign (resid 7 and name HD1#) (resid 7 and name HG12) 1.8 0.0 1.1

assign (resid 7 and name HG11) (resid 7 and name HG2#) 1.8 0.0 1.7
assign (resid 7 and name HG12) (resid 7 and name HG2#) 1.8 0.0 1.7

assign (resid 7 and name HG12) (resid 7 and name HN) 1.8 0.0 3.2
assign (resid 7 and name HG11) (resid 7 and name HN) 1.8 0.0 3.2

assign (resid 7 and name HG2#) (resid 7 and name HN) 1.8 0.0 3.2

assign (resid 7 and name HG2#) (resid 7 and name HA) 1.8 0.0 1.1

assign (resid 7 and name HG2#) (resid 7 and name HB) 1.8 0.0 1.1

assign (resid 7 and name HD1#) (resid 7 and name HN)   1.8 0.0 3.2

assign (resid 7 and name HD1#) (resid 7 and name HA)   1.8 0.0 3.2



!inter

assign (resid 7 and name HN) (resid 4 and name HA)    1.8 0.0 3.2

assign (resid 7 and name HN) (resid 5 and name HA)    1.8 0.0 3.2

assign (resid 7 and name HN) (resid 6 and name HA)    1.8 0.0 1.7

assign (resid 7 and name HN) (resid 8 and name HN)    1.8 0.0 1.7

assign (resid 7 and name HN) (resid 8 and name HB#)   1.8 0.0 4.2

assign (resid 7 and name HN) (resid 9 and name HN)    1.8 0.0 3.2

assign (resid 7 and name HN) (resid 10 and name HD#)    1.8 0.0 4.5

! assign (resid 7 and name HN) (resid 10 and name HE#)    1.8 0.0 5.2


assign (resid 7 and name HA) (resid 10 and name HB#)   1.8 0.0 4.2

assign (resid 7 and name HA) (resid 82 and name HG#)   1.8 0.0 5.2


assign (resid 7 and name HB) (resid 4 and name HA)    1.8 0.0 3.2    

assign (resid 7 and name HB) (resid 5 and name HA)    1.8 0.0 3.2 

assign (resid 7 and name HB) (resid 8 and name HB#)   1.8 0.0 3.2

assign (resid 7 and name HB) (resid 8 and name HN)    1.8 0.0 1.7



assign (resid 7 and name HG2#) (resid 8 and name HA)  1.8 0.0 1.7

assign (resid 7 and name HG2#) (resid 8 and name HB#) 1.8 0.0 3.2

! assign (resid 7 and name HG2#) (resid 69 and name HA) 1.8 0.0 3.2    ! do exit



! assign (resid 7 and name HD1#) (resid 72 and name HA) 1.8 0.0 4.2

assign (resid 7 and name HD1#) (resid 72 and name HB) 1.8 0.0 4.2

! assign (resid 7 and name HD1#) (resid 72 and name HG1#) 1.8 0.0 4.2    !HG12

assign (resid 7 and name HD1#) (resid 72 and name HD1#) 1.8 0.0 4.2

assign (resid 7 and name HD1#) (resid 73 and name HA)  1.8 0.0 3.2

assign (resid 7 and name HD1#) (resid 73 and name HB2) 1.8 0.0 3.2
assign (resid 7 and name HD1#) (resid 73 and name HB1) 1.8 0.0 3.2

assign (resid 7 and name HD1#) (resid 73 and name HN) 1.8 0.0 3.2


assign (resid 7 and name HD1#) (resid 76 and name HG2#) 1.8 0.0 4.2







!Ala-8

!intra

assign (resid 8 and name HA) (resid 8 and name HB#) 1.8 0.0 1.1

assign (resid 8 and name HB#) (resid 8 and name HN) 1.8 0.0 1.1

!inter

assign (resid 8 and name HN) (resid 4 and name HA) 1.8 0.0 3.2

assign (resid 8 and name HN) (resid 5 and name HA) 1.8 0.0 3.2

assign (resid 8 and name HN) (resid 6 and name HA) 1.8 0.0 3.2

assign (resid 8 and name HN) (resid 7 and name HA) 1.8 0.0 1.7

assign (resid 8 and name HN)  (resid 7 and name HD1#) 1.8 0.0 4.2

assign (resid 8 and name HN) (resid 9 and name HN) 1.8 0.0 1.1

assign (resid 8 and name HN) (resid 10 and name HN) 1.8 0.0 3.2


assign (resid 8 and name HA) (resid 11 and name HB) 1.8 0.0 4.2 

assign (resid 8 and name HA) (resid 21 and name HA) 1.8 0.0 5.2 

assign (resid 8 and name HA) (resid 26 and name HB) 1.8 0.0 4.2 

assign (resid 8 and name HA) (resid 26 and (name HG1# or name HG2#)) 1.8 0.0 4.5 

assign (resid 8 and name HA) (resid 69 and name HG2#) 1.8 0.0 4.2 


assign (resid 8 and name HB#) (resid 6 and name HN) 1.8 0.0 4.2

assign (resid 8 and name HB#) (resid 7 and name HD1#) 1.8 0.0 4.2

assign (resid 8 and name HB#) (resid 9 and name HG#) 1.8 0.0 4.2

assign (resid 8 and name HB#) (resid 11 and (name HG1# or name HG2#)) 1.8 0.0 4.2

assign (resid 8 and name HB#) (resid 21 and name HG1) 1.8 0.0 4.2 
assign (resid 8 and name HB#) (resid 21 and name HG2) 1.8 0.0 4.2 

assign (resid 8 and name HB#) (resid 26 and (name HG1# or name HG2#)) 1.8 0.0 4.2 

assign (resid 8 and name HB#) (resid 69 and name HD1#) 1.8 0.0 4.2








!Gln-9

!intra

assign (resid 9 and name HA) (resid 9 and name HN)   1.8 0.0 1.7

assign (resid 9 and name HA) (resid 9 and name HB#)  1.8 0.0 1.1

assign (resid 9 and name HN) (resid 9 and name HB#)  1.8 0.0 1.1

assign (resid 9 and name HG1) (resid 9 and name HA)  1.8 0.0 1.7
assign (resid 9 and name HG2) (resid 9 and name HA)  1.8 0.0 3.2

assign (resid 9 and name HG1) (resid 9 and name HB#) 1.8 0.0 1.1
assign (resid 9 and name HG2) (resid 9 and name HB#) 1.8 0.0 1.7

assign (resid 9 and name HN) (resid 9 and name HG1)  1.8 0.0 3.2
assign (resid 9 and name HN) (resid 9 and name HG2)  1.8 0.0 3.2

assign (resid 9 and name HG#) (resid 9 and name HE2#) 1.8 0.0 3.2

!inter

assign (resid 9 and name HN) (resid 5 and name HA) 1.8 0.0 3.2

assign (resid 9 and name HN) (resid 6 and name HA) 1.8 0.0 3.2

assign (resid 9 and name HN) (resid 7 and name HA) 1.8 0.0 3.2

assign (resid 9 and name HN) (resid 8 and name HA) 1.8 0.0 1.7

assign (resid 9 and name HN) (resid 8 and name HB#) 1.8 0.0 1.1

assign (resid 9 and name HN) (resid 10 and name HN) 1.8 0.0 1.1

assign (resid 9 and name HN) (resid 11 and name HG#) 1.8 0.0 3.2

assign (resid 9 and name HN) (resid 11 and name HN) 1.8 0.0 3.2


assign (resid 9 and name HA) (resid 12 and name HB) 1.8 0.0 3.2

assign (resid 9 and name HA) (resid 12 and name HG#) 1.8 0.0 1.7

assign (resid 9 and name HA) (resid 21 and name HA) 1.8 0.0 4.2

assign (resid 9 and name HA) (resid 21 and name HB#) 1.8 0.0 3.2

assign (resid 9 and name HA) (resid 21 and name HG#) 1.8 0.0 3.2


assign (resid 9 and name HB#) (resid 6 and (name HG1# or name HG2#)) 1.8 0.0 3.2

assign (resid 9 and name HB#) (resid 12 and (name HG1# or name HG2#)) 1.8 0.0 3.2

assign (resid 9 and name HB#) (resid 21 and name HA) 1.8 0.0 4.2

assign (resid 9 and name HB#) (resid 21 and name HB#) 1.8 0.0 3.2


assign (resid 9 and name HG1) (resid 6 and name HA) 1.8 0.0 3.2
assign (resid 9 and name HG2) (resid 6 and name HA) 1.8 0.0 3.2

assign (resid 9 and name HG#) (resid 21 and name HB#) 1.8 0.0 3.2


assign (resid 9 and name HE2#) (resid 6 and name HB#) 1.8 0.0 4.2

assign (resid 9 and name HE2#) (resid 10 and name HD#) 1.8 0.0 3.2

assign (resid 9 and name HE2#) (resid 11 and name HN) 1.8 0.0 3.2

assign (resid 9 and name HE2#) (resid 12 and (name HG1# or name HG2#)) 1.8 0.0 4.2

assign (resid 9 and name HE2#) (resid 13 and name HB1) 1.8 0.0 3.2
assign (resid 9 and name HE2#) (resid 13 and name HB2) 1.8 0.0 3.2





!PHE-10

!intra

assign (resid 10 and name HA) (resid 10 and name HB#) 1.8 0.0 1.1

assign (resid 10 and name HA) (resid 10 and name HN)  1.8 0.0 1.7

assign (resid 10 and name HA) (resid 10 and name HD#)  1.8 0.0 3.2

assign (resid 10 and name HN) (resid 10 and name HD#)  1.8 0.0 3.2

!inter

assign (resid 10 and name HN) (resid 6 and name HA) 1.8 0.0 4.2

assign (resid 10 and name HN) (resid 7 and name HA) 1.8 0.0 4.2

assign (resid 10 and name HN) (resid 8 and name HA) 1.8 0.0 4.2

assign (resid 10 and name HN) (resid 9 and name HA) 1.8 0.0 1.7

assign (resid 10 and name HN) (resid 9 and name HB#) 1.8 0.0 1.7

assign (resid 10 and name HN) (resid 9 and name HE2#) 1.8 0.0 1.7

assign (resid 10 and name HN) (resid 11 and name HN) 1.8 0.0 1.1

assign (resid 10 and name HN) (resid 12 and name HN) 1.8 0.0 3.2


assign (resid 10 and name HA) (resid 13 and name HB1) 1.8 0.0 3.2
assign (resid 10 and name HA) (resid 13 and name HB2) 1.8 0.0 3.2

! assign (resid 10 and name HA) (resid 15 and name HD#) 1.8 0.0 6.2

assign (resid 10 and name HA) (resid 15 and name HE#) 1.8 0.0 6.2


assign (resid 10 and name HB#) (resid 11 and (name HG1# or name HG2#)) 1.8 0.0 3.2

assign (resid 10 and name HB#) (resid 15 and name HD#) 1.8 0.0 6.5

assign (resid 10 and name HB#) (resid 15 and name HE#) 1.8 0.0 6.2





!Val-11

!intra

assign (resid 11 and name HN) (resid 11 and name HA) 1.8 0.0 1.7

assign (resid 11 and name HA) (resid 11 and name HB) 1.8 0.0 1.7

assign (resid 11 and name HA) (resid 11 and name HG#) 1.8 0.0 1.1 !1.7

assign (resid 11 and name HB) (resid 11 and name HN) 1.8 0.0 1.7

assign (resid 11 and name HB) (resid 11 and name HG#) 1.8 0.0 1.1

assign (resid 11 and name HG#) (resid 11 and name HN) 1.8 0.0 1.7

!inter

assign (resid 11 and name HN)  (resid 8 and name HA)  1.8 0.0 3.2

assign (resid 11 and name HN)  (resid 9 and name HA)  1.8 0.0 3.2

assign (resid 11 and name HN) (resid 9 and name HN) 1.8 0.0 3.2

assign (resid 11 and name HN) (resid 10 and name HA) 1.8 0.0 1.7

assign (resid 11 and name HN) (resid 10 and name HB#) 1.8 0.0 1.7

assign (resid 11 and name HN) (resid 12 and name HN) 1.8 0.0 1.7

assign (resid 11 and name HN) (resid 13 and name HN) 1.8 0.0 3.2



assign (resid 11 and name HA) (resid 10 and name HN)  1.8 0.0 4.2

assign (resid 11 and name HA) (resid 12 and name HG#) 1.8 0.0 3.2 

assign (resid 11 and name HA) (resid 14 and name HB#) 1.8 0.0 3.2


assign (resid 11 and name HB) (resid 10 and name HD#) 1.8 0.0 3.2

assign (resid 11 and name HB) (resid 10 and name HE#) 1.8 0.0 5.2


assign (resid 11 and name HG#) (resid 7 and name HA)  1.8 0.0 3.2

assign (resid 11 and name HG#) (resid 7 and name HG1#)  1.8 0.0 4.2

assign (resid 11 and name HG#) (resid 7 and name HG2#)  1.8 0.0 4.2

assign (resid 11 and name HG#) (resid 8 and name HA)  1.8 0.0 3.2

assign (resid 11 and name HG#) (resid 10 and name HA)  1.8 0.0 3.2

assign (resid 11 and name HG#) (resid 10 and name HD#) 1.8 0.0 3.2

assign (resid 11 and name HG#) (resid 10 and name HN) 1.8 0.0 3.2

assign (resid 11 and name HG#) (resid 13 and name HB#) 1.8 0.0 3.2

assign (resid 11 and name HG#) (resid 14 and name HB#) 1.8 0.0 4.2

assign (resid 11 and name HG#) (resid 12 and name HN) 1.8 0.0 3.2



!Val-12

!intra

assign (resid 12 and name HA) (resid 12 and name HN)   1.8 0.0 1.7

assign (resid 12 and name HA) (resid 12 and name HB)   1.8 0.0 1.1

assign (resid 12 and name HA) (resid 12 and name HG#)  1.8 0.0 1.1

assign (resid 12 and name HB)  (resid 12 and name HN)  1.8 0.0 1.7

assign (resid 12 and name HB)  (resid 12 and name HG#) 1.8 0.0 1.1

assign (resid 12 and name HG#) (resid 12 and name HN)  1.8 0.0 1.7




!inter

assign (resid 12 and name HN) (resid 8 and name HA) 1.8 0.0 3.2

assign (resid 12 and name HN) (resid 9 and name HA) 1.8 0.0 3.2

assign (resid 12 and name HG#) (resid 9 and name HE2#)  1.8 0.0 4.2

assign (resid 12 and name HN) (resid 10 and name HA) 1.8 0.0 3.2

assign (resid 12 and name HN) (resid 11 and name HA) 1.8 0.0 3.2


assign (resid 12 and name HA) (resid 11 and name HN)  1.8 0.0 4.2

assign (resid 12 and name HA) (resid 15 and name HN)  1.8 0.0 3.2

assign (resid 12 and name HA) (resid 16 and name HN)  1.8 0.0 3.2

assign (resid 12 and name HA) (resid 16 and name HB1) 1.8 0.0 3.5
assign (resid 12 and name HA) (resid 16 and name HB2) 1.8 0.0 3.2


assign (resid 12 and name HB) (resid 13 and name HN)  1.8 0.0 3.2

assign (resid 12 and name HB) (resid 15 and name HN)  1.8 0.0 4.2


assign (resid 12 and name HG#) (resid 11 and name HN)  1.8 0.0 3.2



assign (resid 12 and name HG#) (resid 13 and name HN)  1.8 0.0 1.7

assign (resid 12 and name HG#) (resid 13 and name HA)  1.8 0.0 1.7

assign (resid 12 and name HG#) (resid 13 and name HB1)  1.8 0.0 4.2   ! Manual Add
assign (resid 12 and name HG#) (resid 13 and name HB2)  1.8 0.0 3.2

assign (resid 12 and name HG#) (resid 16 and name HB#) 1.8 0.0 3.2

assign (resid 12 and name HG#) (resid 18 and name HA) 1.8 0.0 6.2

assign (resid 12 and name HG#) (resid 21 and name HA) 1.8 0.0 4.2

assign (resid 12 and name HG#) (resid 21 and name HB#) 1.8 0.0 4.2




!Glu-13

!intra

assign (resid 13 and name HA) (resid 13 and name HN)  1.8 0.0 1.7

assign (resid 13 and name HA) (resid 13 and name HB1) 1.8 0.0 1.1
assign (resid 13 and name HA) (resid 13 and name HB2) 1.8 0.0 1.1

assign (resid 13 and name HA) (resid 13 and name HG1)  1.8 0.0 1.7   
assign (resid 13 and name HA) (resid 13 and name HG2)  1.8 0.0 3.2

assign (resid 13 and name HB1) (resid 13 and name HG2) 1.8 0.0 1.7
assign (resid 13 and name HB2) (resid 13 and name HG2) 1.8 0.0 1.7
assign (resid 13 and name HG1) (resid 13 and name HB1) 1.8 0.0 1.1
assign (resid 13 and name HG1) (resid 13 and name HB2) 1.8 0.0 1.1

assign (resid 13 and name HB1) (resid 13 and name HN) 1.8 0.0 1.7
assign (resid 13 and name HB2) (resid 13 and name HN) 1.8 0.0 1.7

assign (resid 13 and name HG1) (resid 13 and name HN) 1.8 0.0 3.2
assign (resid 13 and name HG2) (resid 13 and name HN) 1.8 0.0 3.2


!inter

assign (resid 13 and name HN)  (resid 9 and name HA) 1.8 0.0 3.2

assign (resid 13 and name HN)  (resid 9 and name HE2#) 1.8 0.0 3.2

assign (resid 13 and name HN)  (resid 10 and name HA) 1.8 0.0 3.2

assign (resid 13 and name HN)  (resid 11 and name HA) 1.8 0.0 3.2

assign (resid 13 and name HN) (resid 12 and name HN) 1.8 0.0 1.1

assign (resid 13 and name HN)  (resid 12 and name HA) 1.8 0.0 1.7 ! ol w 12HA

assign (resid 13 and name HN)  (resid 13 and name HB#) 1.8 0.0 3.2

assign (resid 13 and name HN)  (resid 14 and name HG#) 1.8 0.0 4.5

assign (resid 13 and name HN)  (resid 15 and name HN) 1.8 0.0 3.2

assign (resid 13 and name HN)  (resid 15 and name HB#) 1.8 0.0 5.2

assign (resid 13 and name HN)  (resid 15 and name HE#) 1.8 0.0 4.2

! assign (resid 13 and name HN)  (resid 17 and name HA) 1.8 0.0 4.2


assign (resid 13 and name HA)  (resid 9 and name HE2#) 1.8 0.0 4.2

assign (resid 13 and name HA)  (resid 12 and name HG#) 1.8 0.0 3.2

! assign (resid 13 and name HA)  (resid 17 and name HA) 1.8 0.0 4.2

assign (resid 13 and name HA)  (resid 17 and name HD#) 1.8 0.0 4.2


assign (resid 13 and name HB#)  (resid 12 and name HG#) 1.8 0.0 3.2

assign (resid 13 and name HB#)  (resid 9 and name HE2#) 1.8 0.0 3.2


assign (resid 13 and name HG1) (resid 12 and name HG#) 1.8 0.0 4.2
assign (resid 13 and name HG2) (resid 12 and name HG#) 1.8 0.0 4.2







!Glu-14

!intra

assign (resid 14 and name HA) (resid 14 and name HN)   1.8 0.0 1.7

assign (resid 14 and name HA) (resid 14 and name HG1)  1.8 0.0 3.2
assign (resid 14 and name HA) (resid 14 and name HG2)  1.8 0.0 3.2  

assign (resid 14 and name HB#) (resid 14 and name HN)  1.8 0.0 1.7

assign (resid 14 and name HB#) (resid 14 and name HA)  1.8 0.0 1.1  

assign (resid 14 and name HB#) (resid 14 and name HG1) 1.8 0.0 1.7
assign (resid 14 and name HB#) (resid 14 and name HG2) 1.8 0.0 1.7

assign (resid 14 and name HN) (resid 14 and name HG1) 1.8 0.0 3.2
assign (resid 14 and name HN) (resid 14 and name HG2) 1.8 0.0 3.2

!inter

assign (resid 14 and name HN) (resid 10 and name HA) 1.8 0.0 3.2

assign (resid 14 and name HN) (resid 11 and name HA) 1.8 0.0 4.2

assign (resid 14 and name HN) (resid 12 and name HA) 1.8 0.0 4.2

assign (resid 14 and name HN) (resid 12 and name HN) 1.8 0.0 3.2

assign (resid 14 and name HN) (resid 13 and name HN) 1.8 0.0 1.1

assign (resid 14 and name HN) (resid 13 and name HA) 1.8 0.0 1.7

assign (resid 14 and name HN) (resid 13 and name HB1) 1.8 0.0 4.2
assign (resid 14 and name HN) (resid 13 and name HB2) 1.8 0.0 3.2

assign (resid 14 and name HN) (resid 13 and name HG1) 1.8 0.0 3.2
assign (resid 14 and name HN) (resid 13 and name HG2) 1.8 0.0 4.2

assign (resid 14 and name HN) (resid 15 and name HN) 1.8 0.0 1.1

assign (resid 14 and name HN) (resid 15 and name HA) 1.8 0.0 4.2
    
assign (resid 14 and name HN) (resid 15 and name HD#) 1.8 0.0 4.2

assign (resid 14 and name HN) (resid 15 and name HE#) 1.8 0.0 4.2


assign (resid 14 and name HB#) (resid 15 and name HN) 1.8 0.0 3.2




!Phe-15

!intra

assign (resid 15 and name HN) (resid 15 and name HA) 1.8 0.0 1.7

assign (resid 15 and name HN) (resid 15 and name HB1) 1.8 0.0 2.5
assign (resid 15 and name HN) (resid 15 and name HB2) 1.8 0.0 3.2

assign (resid 15 and name HB1) (resid 15 and name HA) 1.8 0.0 1.7
assign (resid 15 and name HB2) (resid 15 and name HA) 1.8 0.0 1.7

!inter

assign (resid 15 and name HN) (resid 14 and name HA) 1.8 0.0 1.7

assign (resid 15 and name HN) (resid 14 and name HB#) 1.8 0.0 1.7

assign (resid 15 and name HN) (resid 14 and name HG1) 1.8 0.0 3.5
assign (resid 15 and name HN) (resid 14 and name HG2) 1.8 0.0 3.5

assign (resid 15 and name HB#) (resid 16 and name HD#) 1.8 0.0 3.2

assign (resid 15 and name HN)  (resid 16 and name HB#) 1.8 0.0 3.2  







!Leu-16

!intra

assign (resid 16 and name HA)  (resid 16 and name HG) 1.8 0.0 1.7

assign (resid 16 and name HN) (resid 16 and name HA) 1.8 0.0 1.7

assign (resid 16 and name HN) (resid 16 and name HB1) 1.8 0.0 3.2     
assign (resid 16 and name HN) (resid 16 and name HB2) 1.8 0.0 1.7

assign (resid 16 and name HB1) (resid 16 and name HA) 1.8 0.0 1.7
assign (resid 16 and name HB2) (resid 16 and name HA) 1.8 0.0 1.7

assign (resid 16 and name HB1) (resid 16 and name HG)  1.8 0.0 1.7  
assign (resid 16 and name HB2) (resid 16 and name HG)  1.8 0.0 1.7

assign (resid 16 and name HB1) (resid 16 and name HD#) 1.8 0.0 1.1
assign (resid 16 and name HB2) (resid 16 and name HD#) 1.8 0.0 1.1

assign (resid 16 and name HN) (resid 16 and name HG)   1.8 0.0 3.2

assign (resid 16 and name HD#) (resid 16 and name HA)  1.8 0.0 1.7

assign (resid 16 and name HG) (resid 16 and name HD#) 1.8 0.0 1.1

!inter

!!!assign (resid 16 and name HN)  (resid 12 and name HB)   1.8 0.0 4.2

assign (resid 16 and name HB1) (resid 13 and name HA)   1.8 0.0 4.2   
assign (resid 16 and name HB2) (resid 13 and name HA)   1.8 0.0 4.2

!!assign (resid 16 and name HD#) (resid 13 and name HA)   1.8 0.0 1.7   


assign (resid 16 and name HN) (resid 14 and name HA)    1.8 0.0 4.2

assign (resid 16 and name HN) (resid 14 and name HN)    1.8 0.0 3.2


assign (resid 16 and name HN) (resid 15 and name HB1)   1.8 0.0 3.2
assign (resid 16 and name HN) (resid 15 and name HB2)   1.8 0.0 3.2


!!assign (resid 16 and name HD#) (resid 18 and name HB#)  1.8 0.0 3.2 
 

assign (resid 16 and name HA)  (resid 17 and name HD#)  1.8 0.0 1.7 



assign (resid 16 and name HB2) (resid 19 and name HB)   1.8 0.0 4.2    !add 201404
assign (resid 16 and name HB1) (resid 19 and name HB)   1.8 0.0 5.2    !add 201404







!Pro-17

!intra

assign (resid 17 and name HA) (resid 17 and name HD1)   1.8 0.0 3.2
assign (resid 17 and name HA) (resid 17 and name HD2)   1.8 0.0 3.2

assign (resid 17 and name HB1) (resid 17 and name HD2)  1.8 0.0 3.2
assign (resid 17 and name HB2) (resid 17 and name HD2)  1.8 0.0 3.2
assign (resid 17 and name HB1) (resid 17 and name HD1)  1.8 0.0 2.5
assign (resid 17 and name HB2) (resid 17 and name HD1)  1.8 0.0 2.5

assign (resid 17 and name HG1) (resid 17 and name HA)  1.8 0.0 3.2
assign (resid 17 and name HG2) (resid 17 and name HA)  1.8 0.0 3.2

assign (resid 17 and name HG1) (resid 17 and name HB1) 1.8 0.0 1.7   
assign (resid 17 and name HG2) (resid 17 and name HB1) 1.8 0.0 1.7
assign (resid 17 and name HG1) (resid 17 and name HB2) 1.8 0.0 1.7
assign (resid 17 and name HG2) (resid 17 and name HB2) 1.8 0.0 1.7

assign (resid 17 and name HG1) (resid 17 and name HD1) 1.8 0.0 1.1
assign (resid 17 and name HG2) (resid 17 and name HD1) 1.8 0.0 1.1
assign (resid 17 and name HG1) (resid 17 and name HD2) 1.8 0.0 1.1
assign (resid 17 and name HG2) (resid 17 and name HD2) 1.8 0.0 1.1

!inter

assign (resid 17 and name HA) (resid 12 and name HG#) 1.8 0.0 4.2    

assign (resid 17 and name HD1) (resid 15 and name HA) 1.8 0.0 4.2
assign (resid 17 and name HD2) (resid 15 and name HA) 1.8 0.0 5.2


assign (resid 17 and name HD1) (resid 16 and name HA) 1.8 0.0 1.7   
assign (resid 17 and name HD2) (resid 16 and name HA) 1.8 0.0 1.7

assign (resid 17 and name HD#) (resid 16 and name HG) 1.8 0.0 4.2


assign (resid 17 and name HA) (resid 18 and name HA)  1.8 0.0 3.2  

assign (resid 17 and name HA) (resid 18 and name HN)  1.8 0.0 1.7  

assign (resid 17 and name HA) (resid 19 and name HN)  1.8 0.0 4.2




!Asp-18

!intra

assign (resid 18 and name HA) (resid 18 and name HB1) 1.8 0.0 1.1
assign (resid 18 and name HA) (resid 18 and name HB2) 1.8 0.0 1.1

assign (resid 18 and name HA) (resid 18 and name HN) 1.8 0.0 1.7

assign (resid 18 and name HB1) (resid 18 and name HN) 1.8 0.0 1.7
assign (resid 18 and name HB2) (resid 18 and name HN) 1.8 0.0 1.7

!inter

assign (resid 18 and name HN) (resid 16 and name HA)  1.8 0.0 4.5


assign (resid 18 and name HN) (resid 17 and name HA)  1.8 0.0 1.7

assign (resid 18 and name HN) (resid 17 and name HG#) 1.8 0.0 1.7

assign (resid 18 and name HN) (resid 17 and name HB#) 1.8 0.0 4.2

assign (resid 18 and name HN) (resid 17 and name HD1) 1.8 0.0 4.2
assign (resid 18 and name HN) (resid 17 and name HD2) 1.8 0.0 3.2


assign (resid 18 and name HN) (resid 17 and name HB#)  1.8 0.0 3.2

assign (resid 18 and name HN) (resid 19 and name HG#) 1.8 0.0 3.2   

assign (resid 18 and name HN) (resid 19 and name HN) 1.8 0.0 1.7







!Val-19

!intra

assign (resid 19 and name HA) (resid 19 and name HG#) 1.8 0.0 1.7   ! overlap with other signal

assign (resid 19 and name HB) (resid 19 and name HG#) 1.8 0.0 1.1

assign (resid 19 and name HA) (resid 19 and name HB)  1.8 0.0 1.7

assign (resid 19 and name HA) (resid 19 and name HN)  1.8 0.0 1.7

assign (resid 19 and name HB) (resid 19 and name HN)  1.8 0.0 1.7

assign (resid 19 and name HG#) (resid 19 and name HN) 1.8 0.0 1.7



!inter

assign (resid 19 and name HB) (resid 12 and name HG#) 1.8 0.0 3.2


assign (resid 19 and name HN) (resid 17 and name HA) 1.8 0.0 4.2

!!!assign (resid 19 and name HN) (resid 17 and name HG#) 1.8 0.0 4.2


assign (resid 19 and name HN) (resid 18 and name HA) 1.8 0.0 1.7

assign (resid 19 and name HN) (resid 18 and name HB1) 1.8 0.0 3.2
assign (resid 19 and name HN) (resid 18 and name HB2) 1.8 0.0 3.2


assign (resid 19 and name HA) (resid 20 and name HN) 1.8 0.0 1.7   ! double emerge

assign (resid 19 and name HN) (resid 20 and name HN) 1.8 0.0 3.2

!!!assign (resid 19 and name HA) (resid 20 and name HB#) 1.8 0.0 3.2

!assign (resid 19 and name HG#) (resid 20 and name HA) 1.8 0.0 3.2

assign (resid 19 and name HN) (resid 20 and name HB#) 1.8 0.0 4.2


!!!assign (resid 19 and name HN) (resid 21 and name HG#) 1.8 0.0 4.2
! violated 20110922

assign (resid 19 and name HN) (resid 16 and name HB1) 1.8 0.0 4.5
assign (resid 19 and name HN) (resid 16 and name HB2) 1.8 0.0 4.2


!!!assign (resid 19 and name HB) (resid 21 and name HG#) 1.8 0.0 4.2  ! only HG2

assign (resid 19 and name HB) (resid 16 and name HG#) 1.8 0.0 4.2  





!Ala-20

!intra

assign (resid 20 and name HN) (resid 20 and name HA)   1.8 0.0 1.7

assign (resid 20 and name HA) (resid 20 and name HB#)  1.8 0.0 1.1

assign (resid 20 and name HB#) (resid 20 and name HN)  1.8 0.0 1.1

!inter

assign (resid 20 and name HN) (resid 19 and name HB) 1.8 0.0 3.2


assign (resid 20 and name HB#) (resid 21 and name HD#) 1.8 0.0 1.7
! better not modify


!assign (resid 20 and name HB#) (resid 22 and name HN)  1.8 0.0 3.2


assign (resid 20 and name HB#) (resid 23 and name HB#) 1.8 0.0 3.2

assign (resid 20 and name HN) (resid 23 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 20 and name HN) (resid 22 and name HN) 1.8 0.0 4.2    !add 201404






!Pro-21

!intra

assign (resid 21 and name HA) (resid 21 and name HB#)  1.8 0.0 1.1

assign (resid 21 and name HB#) (resid 21 and name HG#)  1.8 0.0 1.7 

assign (resid 21 and name HD#) (resid 21 and name HB#) 1.8 0.0 1.7

assign (resid 21 and name HD#) (resid 21 and name HA)  1.8 0.0 3.2

assign (resid 21 and name HD#) (resid 21 and name HG#) 1.8 0.0 1.7   ! overlap HG2

assign (resid 21 and name HG#) (resid 21 and name HA)  1.8 0.0 1.7   ! overlap

!inter

assign (resid 21 and name HA) (resid 8 and name HB#) 1.8 0.0 3.2

assign (resid 21 and name HA) (resid 24 and name HG1#) 1.8 0.0 3.2
assign (resid 21 and name HA) (resid 24 and name HG2#) 1.8 0.0 3.2


! assign (resid 21 and name HB#) (resid 7 and name HD1#)  1.8 0.0 5.2

assign (resid 21 and name HB#) (resid 8 and name HN)  1.8 0.0 4.2

assign (resid 21 and name HB#) (resid 8 and name HB#)  1.8 0.0 3.2

assign (resid 21 and name HB#) (resid 17 and name HG#)  1.8 0.0 5.2

assign (resid 21 and name HB#) (resid 17 and name HD#)  1.8 0.0 5.2

assign (resid 21 and name HB#) (resid 19 and name HG#)  1.8 0.0 5.2

assign (resid 21 and name HB#) (resid 20 and name HA)  1.8 0.0 3.2

assign (resid 21 and name HB#) (resid 20 and name HB#)  1.8 0.0 3.2

! assign (resid 21 and name HB#) (resid 22 and name HN)  1.8 0.0 3.2  ! repeated

assign (resid 21 and name HB#) (resid 23 and name HN)  1.8 0.0 3.2


assign (resid 21 and name HG#) (resid 12 and name HG#) 1.8 0.0 3.2  

! assign (resid 21 and name HG#) (resid 17 and name HA) 1.8 0.0 5.2 

assign (resid 21 and name HG#) (resid 17 and name HG#) 1.8 0.0 4.5

assign (resid 21 and name HG#) (resid 19 and name HN) 1.8 0.0 5.2


assign (resid 21 and name HD#) (resid 12 and name HG#) 1.8 0.0 3.2

assign (resid 21 and name HD#) (resid 20 and name HA)  1.8 0.0 1.7
   
!assign (resid 21 and name HD#) (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 3.2


assign (resid 21 and name HA)  (resid 23 and name HA) 1.8 0.0 4.5      !add 201404











!Ala-22

!intra
assign (resid 22 and name HA) (resid 22 and name HB#) 1.8 0.0 1.1

assign (resid 22 and name HA) (resid 22 and name HN)  1.8 0.0 1.7

assign (resid 22 and name HB#) (resid 22 and name HN) 1.8 0.0 1.1

!inter

assign (resid 22 and name HN) (resid 20 and name HN) 1.8 0.0 4.2

assign (resid 22 and name HN) (resid 20 and name HA) 1.8 0.0 3.2

assign (resid 22 and name HN) (resid 20 and name HB#) 1.8 0.0 1.7

assign (resid 22 and name HN) (resid 21 and name HA) 1.8 0.0 1.7 !olw 22HA

assign (resid 22 and name HN) (resid 21 and name HD#) 1.8 0.0 1.7

assign (resid 22 and name HN) (resid 21 and name HG2) 1.8 0.0 3.2
assign (resid 22 and name HN) (resid 21 and name HG1) 1.8 0.0 3.2

assign (resid 22 and name HN)  (resid 21 and name HB#) 1.8 0.0 1.7

assign (resid 22 and name HN)  (resid 23 and name HB#) 1.8 0.0 3.2

assign (resid 22 and name HN)  (resid 24 and name HN) 1.8 0.0 3.2

assign (resid 22 and name HN)  (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 3.2


assign (resid 22 and name HA)  (resid 23 and name HB#) 1.8 0.0 4.2


assign (resid 22 and name HB#) (resid 20 and name HA) 1.8 0.0 3.2

assign (resid 22 and name HB#) (resid 23 and name HN) 1.8 0.0 1.7

assign (resid 22 and name HB#) (resid 23 and name HA) 1.8 0.0 3.2

assign (resid 22 and name HB#)  (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 3.2



!Asp-23

!intra

assign (resid 23 and name HA) (resid 23 and name HB#) 1.8 0.0 1.7

assign (resid 23 and name HB#) (resid 23 and name HN) 1.8 0.0 1.7

assign (resid 23 and name HN) (resid 23 and name HA) 1.8 0.0 1.7


!inter

assign (resid 23 and name HN) (resid 20 and name HN)  1.8 0.0 3.5

assign (resid 23 and name HN) (resid 22 and name HA)  1.8 0.0 1.7

assign (resid 23 and name HN) (resid 24 and name HA)  1.8 0.0 3.2

assign (resid 23 and name HN) (resid 24 and name HB)  1.8 0.0 4.2

assign (resid 23 and name HN) (resid 24 and name HN)  1.8 0.0 1.1

assign (resid 22 and name HN)  (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 3.2

assign (resid 23 and name HN) (resid 26 and name HN)  1.8 0.0 5.2


assign (resid 23 and name HB1) (resid 20 and name HB#)  1.8 0.0 3.2
assign (resid 23 and name HB2) (resid 20 and name HB#)  1.8 0.0 4.2










!Val-24

!intra

assign (resid 24 and name HA) (resid 24 and name HB)  1.8 0.0 1.7

assign (resid 24 and name HA) (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 1.1

assign (resid 24 and name HB) (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 1.1

assign (resid 24 and name HB) (resid 24 and name HN)  1.8 0.0 1.7

assign (resid 24 and name HN) (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 1.7

!inter

assign (resid 24 and name HN) (resid 22 and name HA)  1.8 0.0 3.2

assign (resid 24 and name HN) (resid 22 and name HB#) 1.8 0.0 3.2


assign (resid 24 and name HN) (resid 23 and name HA)  1.8 0.0 1.7

assign (resid 24 and name HN) (resid 23 and name HB#) 1.8 0.0 3.2


assign (resid 24 and name HA) (resid 25 and name HN)  1.8 0.0 1.7

assign (resid 24 and name HN) (resid 25 and name HN) 1.8 0.0 3.2







!Asp-25

!intra

assign (resid 25 and name HA) (resid 25 and name HB#) 1.8 0.0 1.1

assign (resid 25 and name HA) (resid 25 and name HN)  1.8 0.0 1.7

assign (resid 25 and name HB#) (resid 25 and name HN) 1.8 0.0 1.7

!inter

!!!assign (resid 25 and name HB#) (resid 24 and name HA)  1.8 0.0 3.2

assign (resid 25 and name HN)  (resid 24 and (name HG1# or name HG2#)) 1.8 0.0 3.2


assign (resid 25 and name HA)  (resid 26 and name HN)  1.8 0.0 1.7
!double emerge

assign (resid 25 and name HB#) (resid 26 and (name HG1# or name HG2#)) 1.8 0.0 3.2


assign (resid 25 and name HN) (resid 28 and name HB#)  1.8 0.0 3.2   ! HB1 certain

 
assign (resid 25 and name HN) (resid 28 and name HN) 1.8 0.0 4.2







!Val-26   ( HG2#  )

!intra

assign (resid 26 and name HA) (resid 26 and name HN) 1.8 0.0 3.2

assign (resid 26 and name HA) (resid 26 and name HB) 1.8 0.0 1.1

assign (resid 26 and name HA) (resid 26 and name HG2#) 1.8 0.0 1.7
assign (resid 26 and name HA) (resid 26 and name HG1#) 1.8 0.0 1.7

assign (resid 26 and name HB) (resid 26 and name HN) 1.8 0.0 3.2

assign (resid 26 and name HN) (resid 26 and name HG1#) 1.8 0.0 1.7
assign (resid 26 and name HN) (resid 26 and name HG2#) 1.8 0.0 1.7

assign (resid 26 and (name HG1# or name HG2#)) (resid 26 and name HB) 1.8 0.0 1.7

!inter

assign (resid 26 and (name HG1# or name HG2#)) (resid 4 and name HB#) 1.8 0.0 4.2     
!Key influence violated 20110920

!!!assign (resid 26 and name HN) (resid 24 and name HB) 1.8 0.0 3.2

assign (resid 26 and name HN) (resid 28 and name HN)  1.8 0.0 3.2


! assign (resid 26 and name HA)   (resid 69 and name HB)  1.8 0.0 4.2
! 20111101

!!assign (resid 26 and (name HG2# or name HG1#)) (resid 69 and name HG2#) 1.8 0.0 3.2  
!only strength unsure

!!assign (resid 26 and (name HG2# or name HG1#)) (resid 69 and name HG1#) 1.8 0.0 3.2  
!max 3.2   HG12


!assign (resid 26 and (name HG2# or name HG1#)) (resid 73 and name HB2) 1.8 0.0 4.2   ! only







!Asp-27

!intra

assign (resid 27 and name HA) (resid 27 and name HB2) 1.8 0.0 1.7
assign (resid 27 and name HA) (resid 27 and name HB1) 1.8 0.0 1.7

assign (resid 27 and name HA) (resid 27 and name HN) 1.8 0.0 3.2

assign (resid 27 and name HB2) (resid 27 and name HN) 1.8 0.0 1.7
assign (resid 27 and name HB1) (resid 27 and name HN) 1.8 0.0 3.2

!inter

assign (resid 27 and name HN) (resid 26 and name HA) 1.8 0.0 3.2

assign (resid 27 and name HN) (resid 25 and name HB#) 1.8 0.0 3.2

assign (resid 27 and name HN) (resid 26 and name HG1#) 1.8 0.0 3.2
assign (resid 27 and name HN) (resid 26 and name HG2#) 1.8 0.0 3.2

assign (resid 27 and name HN) (resid 28 and name HB1) 1.8 0.0 3.2
assign (resid 27 and name HN) (resid 28 and name HB2) 1.8 0.0 3.2
!!!need checking 20110920


assign (resid 27 and name HN) (resid 28 and name HN) 1.8 0.0 1.7

assign (resid 27 and name HA) (resid 68 and name HB#) 1.8 0.0 4.2





!Leu-28

!intra

assign (resid 28 and name HA) (resid 28 and name HN) 1.8 0.0 3.2

assign (resid 28 and name HA) (resid 28 and name HB1) 1.8 0.0 1.7   
assign (resid 28 and name HA) (resid 28 and name HB2) 1.8 0.0 1.7

assign (resid 28 and name HA) (resid 28 and name HG) 1.8 0.0 1.7

assign (resid 28 and name HA) (resid 28 and name HD2#) 1.8 0.0 3.2
assign (resid 28 and name HD1#) (resid 28 and name HA) 1.8 0.0 3.2

assign (resid 28 and name HB2) (resid 28 and name HN) 1.8 0.0 1.7
assign (resid 28 and name HB1) (resid 28 and name HN) 1.8 0.0 1.7   

assign (resid 28 and name HB1) (resid 28 and name HG) 1.8 0.0 1.7
assign (resid 28 and name HB2) (resid 28 and name HG) 1.8 0.0 1.7

assign (resid 28 and name HB2) (resid 28 and name HD1#) 1.8 0.0 1.7
assign (resid 28 and name HB1) (resid 28 and name HD1#) 1.8 0.0 1.7

assign (resid 28 and name HG) (resid 28 and name HD#)  1.8 0.0 1.1

assign (resid 28 and name HG) (resid 28 and name HD1#) 1.8 0.0 1.1

assign (resid 28 and name HN) (resid 28 and name HD1#) 1.8 0.0 3.2
assign (resid 28 and name HN) (resid 28 and name HD2#) 1.8 0.0 3.2

!inter

assign (resid 28 and name HB1) (resid 25 and name HB#)  1.8 0.0 3.2
assign (resid 28 and name HB2) (resid 25 and name HB#)  1.8 0.0 3.2
! indeed need checking 20110920


assign (resid 28 and (name HD1# or name HD2#)) (resid 29 and name HB#) 1.8 0.0 4.2

assign (resid 28 and name HN) (resid 25 and name HB#) 1.8 0.0 3.2


assign (resid 28 and name HN) (resid 27 and name HB1)  1.8 0.0 3.2
assign (resid 28 and name HN) (resid 27 and name HB2)  1.8 0.0 3.2

assign (resid 28 and name HN) (resid 27 and name HA) 1.8 0.0 1.7


!assign (resid 28 and name HA) (resid 29 and name HN)   1.8 0.0 3.2

assign (resid 28 and name HB2) (resid 29 and name HA)  1.8 0.0 4.2  ! double emerge
assign (resid 28 and name HB1) (resid 29 and name HA)  1.8 0.0 4.2

assign (resid 28 and (name HD1# or name HD2#)) (resid 29 and name HA)  1.8 0.0 4.2





!Asp-29

!intra

assign (resid 29 and name HB2) (resid 29 and name HA) 1.8 0.0 1.7
assign (resid 29 and name HB1) (resid 29 and name HA) 1.8 0.0 1.7

assign (resid 29 and name HN)  (resid 29 and name HA) 1.8 0.0 1.7

assign (resid 29 and name HB1) (resid 29 and name HN) 1.8 0.0 2.5
assign (resid 29 and name HB2) (resid 29 and name HN) 1.8 0.0 2.5

!inter

assign (resid 29 and name HN) (resid 28 and name HD#) 1.8 0.0 1.7

assign (resid 29 and name HN) (resid 28 and name HN)  1.8 0.0 3.2

assign (resid 29 and name HN) (resid 28 and name HB1) 1.8 0.0 3.2
assign (resid 29 and name HN) (resid 28 and name HB2) 1.8 0.0 3.2

assign (resid 29 and name HN) (resid 28 and name HG) 1.8 0.0 3.2


assign (resid 29 and name HN) (resid 30 and name HN) 1.8 0.0 3.2


assign (resid 29 and name HN) (resid 31 and name HN) 1.8 0.0 3.2


assign (resid 29 and name HN) (resid 33 and name HD2#) 1.8 0.0 5.2










!Leu-30

!intra

assign (resid 30 and name HA) (resid 30 and name HB2) 1.8 0.0 1.7
assign (resid 30 and name HA) (resid 30 and name HB1) 1.8 0.0 1.7

assign (resid 30 and name HA) (resid 30 and (name HD1# or name HD2#)) 1.8 0.0 1.7

assign (resid 30 and name HB1) (resid 30 and name HN) 1.8 0.0 3.2
assign (resid 30 and name HB2) (resid 30 and name HN) 1.8 0.0 3.2

assign (resid 30 and name HB1) (resid 30 and (name HD1# or name HD2#)) 1.8 0.0 1.1
assign (resid 30 and name HB2) (resid 30 and (name HD1# or name HD2#)) 1.8 0.0 1.1

assign (resid 30 and (name HD1# or name HD2#)) (resid 30 and name HG) 1.8 0.0 1.7

assign (resid 30 and (name HD1# or name HD2#)) (resid 30 and name HN) 1.8 0.0 3.2   ! HD2#

assign (resid 30 and name HB1) (resid 30 and name HG) 1.8 0.0 1.7
assign (resid 30 and name HB2) (resid 30 and name HG) 1.8 0.0 1.7

assign (resid 30 and name HN) (resid 30 and name HG)  1.8 0.0 1.7

assign (resid 30 and name HG) (resid 30 and name HA)  1.8 0.0 1.7

!inter

assign (resid 30 and name HN)  (resid 28 and name HA)  1.8 0.0 4.2

assign (resid 30 and name HN)  (resid 29 and name HB#) 1.8 0.0 3.2   

assign (resid 30 and name HN)  (resid 29 and name HA)  1.8 0.0 1.7

assign (resid 30 and name HN)  (resid 31 and name HB)  1.8 0.0 5.2

assign (resid 30 and name HN)  (resid 31 and name HN)  1.8 0.0 3.2

assign (resid 30 and name HN)  (resid 32 and name HN)  1.8 0.0 4.2

assign (resid 30 and name HN) (resid 69 and name HD1#) 1.8 0.0 4.5


assign (resid 30 and name HA)  (resid 28 and name HA)  1.8 0.0 4.5

assign (resid 30 and name HA)  (resid 31 and name HB)  1.8 0.0 4.5

assign (resid 30 and name HA)  (resid 33 and name HN)  1.8 0.0 3.2


assign (resid 30 and name HB#) (resid 31 and name HG#) 1.8 0.0 3.2

assign (resid 30 and name HB2) (resid 36 and name HD1#) 1.8 0.0 4.2    
assign (resid 30 and name HB1) (resid 36 and name HD1#) 1.8 0.0 4.5

assign (resid 30 and name HB#) (resid 87 and name HE#) 1.8 0.0 6.5     


assign (resid 30 and (name HD1# or name HD2#)) (resid 28 and (name HD1# or name HD2#)) 1.8 0.0 3.2    

assign (resid 30 and (name HD1# or name HD2#)) (resid 29 and name HA)  1.8 0.0 3.2

assign (resid 30 and (name HD1# or name HD2#)) (resid 36 and name HG2#) 1.8 0.0 4.2 

assign (resid 30 and (name HD1# or name HD2#)) (resid 36 and name HD1#) 1.8 0.0 3.2 

assign (resid 30 and (name HD1# or name HD2#)) (resid 68 and name HA)  1.8 0.0 3.2

assign (resid 30 and (name HD1# or name HD2#)) (resid 69 and name HN)  1.8 0.0 3.2


assign (resid 30 and name HG) (resid 29 and name HA) 1.8 0.0 4.2

assign (resid 30 and name HG) (resid 68 and name HA) 1.8 0.0 3.2

assign (resid 30 and name HG) (resid 69 and name HN) 1.8 0.0 3.2

assign (resid 30 and name HG) (resid 69 and name HD1#) 1.8 0.0 4.2





    







!Val-31

!intra

assign (resid 31 and name HA) (resid 31 and (name HG1# or name HG2#)) 1.8 0.0 1.7

assign (resid 31 and name HA) (resid 31 and name HN) 1.8 0.0 3.2

assign (resid 31 and name HB) (resid 31 and (name HG1# or name HG2#)) 1.8 0.0 1.1

assign (resid 31 and name HA) (resid 31 and name HB) 1.8 0.0 1.7

assign (resid 31 and name HB) (resid 31 and name HN) 1.8 0.0 1.7

assign (resid 31 and name HN) (resid 31 and (name HG1# or name HG2#)) 1.8 0.0 1.7

!inter

assign (resid 31 and name HN) (resid 29 and name HA) 1.8 0.0 3.2

assign (resid 31 and name HN) (resid 30 and name HA) 1.8 0.0 1.7

assign (resid 31 and name HN) (resid 30 and (name HD1# or name HD2#)) 1.8 0.0 3.2

assign (resid 31 and name HN) (resid 30 and name HB1) 1.8 0.0 3.2
assign (resid 31 and name HN) (resid 30 and name HB2) 1.8 0.0 3.2

assign (resid 31 and name HN) (resid 32 and name HN) 1.8 0.0 1.1

assign (resid 31 and name HN) (resid 32 and name HB#) 1.8 0.0 3.2

assign (resid 31 and name HN) (resid 33 and name HN) 1.8 0.0 3.2


assign (resid 31 and name HA) (resid 32 and name HN) 1.8 0.0 1.7

assign (resid 31 and name HA) (resid 33 and name HN) 1.8 0.0 3.2

assign (resid 31 and name HA) (resid 36 and name HB) 1.8 0.0 6.2

assign (resid 31 and name HA) (resid 36 and (name HD1# or name HG2#)) 1.8 0.0 4.2

assign (resid 31 and name HA) (resid 66 and name HN) 1.8 0.0 5.2

assign (resid 31 and name HA) (resid 68 and name HN) 1.8 0.0 5.2


assign (resid 31 and name HB) (resid 30 and name HB#) 1.8 0.0 4.5 

assign (resid 31 and name HB) (resid 30 and name HD#) 1.8 0.0 5.2 

assign (resid 31 and name HB) (resid 32 and name HN) 1.8 0.0 3.2

assign (resid 31 and name HB) (resid 32 and name HA) 1.8 0.0 4.2

! assign (resid 31 and name HB) (resid 36 and name HN) 1.8 0.0 6.2

! assign (resid 31 and name HB) (resid 36 and name HA) 1.8 0.0 5.2

assign (resid 31 and name HB) (resid 67 and name HG#) 1.8 0.0 4.2 

assign (resid 31 and name HB) (resid 67 and name HD#) 1.8 0.0 4.2 


assign (resid 31 and name HG#) (resid 30 and name HB#) 1.8 0.0 3.2 

assign (resid 31 and name HG#) (resid 66 and name HN) 1.8 0.0 4.5

assign (resid 31 and name HG#) (resid 67 and name HG#) 1.8 0.0 4.2

assign (resid 31 and name HG#) (resid 67 and name HD#) 1.8 0.0 4.2

assign (resid 31 and name HG#) (resid 68 and name HN) 1.8 0.0 4.2





!Asp-32

!inter

assign (resid 32 and name HA) (resid 32 and name HB#) 1.8 0.0 1.1

assign (resid 32 and name HA) (resid 32 and name HN) 1.8 0.0 1.7

assign (resid 32 and name HB#) (resid 32 and name HN) 1.8 0.0 3.2

!inter

assign (resid 32 and name HN)  (resid 30 and name HB#)  1.8 0.0 4.2

assign (resid 32 and name HN)  (resid 31 and name HA)   1.8 0.0 1.7

assign (resid 32 and name HN)  (resid 31 and (name HG1# or name HG2#))  1.8 0.0 1.7

assign (resid 32 and name HN)  (resid 33 and name HN)   1.8 0.0 1.7

assign (resid 32 and name HN)  (resid 33 and name HB#)   1.8 0.0 3.2

assign (resid 32 and name HN)  (resid 34 and name HN)   1.8 0.0 3.2

assign (resid 32 and name HN) (resid 67 and name HD#) 1.8 0.0 4.5





!Asn-33

!intra

assign (resid 33 and name HN) (resid 33 and name HA)  1.8 0.0 1.1

assign (resid 33 and name HB1) (resid 33 and name HA) 1.8 0.0 1.7
assign (resid 33 and name HB2) (resid 33 and name HA) 1.8 0.0 1.1

assign (resid 33 and name HB1) (resid 33 and name HN) 1.8 0.0 3.2
assign (resid 33 and name HB2) (resid 33 and name HN) 1.8 0.0 3.2



!inter

assign (resid 33 and name HN)  (resid 32 and name HA)  1.8 0.0 1.7

assign (resid 33 and name HN)  (resid 32 and name HB#) 1.8 0.0 1.7

assign (resid 33 and name HN)  (resid 34 and name HN)  1.8 0.0 1.1

assign (resid 33 and name HN)  (resid 30 and name HA)  1.8 0.0 3.2

assign (resid 33 and name HN)  (resid 35 and name HN)  1.8 0.0 4.2

assign (resid 33 and name HN)  (resid 35 and name HB)  1.8 0.0 5.2

assign (resid 33 and name HB1) (resid 28 and (name HD1# or name HD2#)) 1.8 0.0 4.5
assign (resid 33 and name HB2) (resid 28 and (name HD1# or name HD2#)) 1.8 0.0 6.2

assign (resid 33 and name HB1) (resid 34 and name HA#) 1.8 0.0 4.2
assign (resid 33 and name HB2) (resid 34 and name HA#) 1.8 0.0 3.2

assign (resid 33 and name HB1) (resid 36 and name HN) 1.8 0.0 4.2
assign (resid 33 and name HB2) (resid 36 and name HN) 1.8 0.0 4.2




!Gly-34

!intra

assign (resid 34 and name HA1) (resid 34 and name HN) 1.8 0.0 1.7
assign (resid 34 and name HA2) (resid 34 and name HN) 1.8 0.0 1.7


!inter

assign (resid 34 and name HN)  (resid 31 and name HA) 1.8 0.0 1.7

assign (resid 34 and name HN)  (resid 31 and (name HG1# or name HG2#)) 1.8 0.0 3.2


assign (resid 34 and name HN)  (resid 32 and name HA) 1.8 0.0 3.2

assign (resid 34 and name HN)  (resid 32 and name HN) 1.8 0.0 3.2

!! assign (resid 34 and name HN)  (resid 32 and name HB#) 1.8 0.0 3.2
! check 20111102

assign (resid 34 and name HN)  (resid 33 and name HB1) 1.8 0.0 3.2
assign (resid 34 and name HN)  (resid 33 and name HB2) 1.8 0.0 3.2

assign (resid 34 and name HN)  (resid 33 and name HA) 1.8 0.0 1.7


assign (resid 34 and name HN)  (resid 35 and name HN) 1.8 0.0 3.2

assign (resid 34 and name HA#) (resid 35 and name HN) 1.8 0.0 1.1

! assign (resid 34 and name HA#) (resid 35 and name HB) 1.8 0.0 3.2
! check 20111102






!Val-35

!intra

assign (resid 35 and name HA) (resid 35 and name HN) 1.8 0.0 1.7

assign (resid 35 and name HA) (resid 35 and name HB) 1.8 0.0 1.7   !double emerge

assign (resid 35 and name HN) (resid 35 and name HB) 1.8 0.0 1.7

assign (resid 35 and name HA) (resid 35 and name HG1#) 1.8 0.0 1.7
assign (resid 35 and name HA) (resid 35 and name HG2#) 1.8 0.0 1.7

assign (resid 35 and name HB) (resid 35 and name HN) 1.8 0.0 3.2

assign (resid 35 and name HB) (resid 35 and name HG1#) 1.8 0.0 1.1
assign (resid 35 and name HB) (resid 35 and name HG2#) 1.8 0.0 1.1

assign (resid 35 and name HG2#) (resid 35 and name HN) 1.8 0.0 2.5
assign (resid 35 and name HN) (resid 35 and name HG1#) 1.8 0.0 2.5

assign (resid 35 and name HG1#) (resid 35 and name HA) 1.8 0.0 1.1
assign (resid 35 and name HG2#) (resid 35 and name HA) 1.8 0.0 1.1

!inter

assign (resid 35 and name HN) (resid 31 and name HA) 1.8 0.0 4.2

assign (resid 35 and name HN)  (resid 32 and name HN) 1.8 0.0 5.2

assign (resid 35 and name HN) (resid 33 and name HA) 1.8 0.0 3.2

assign (resid 35 and name HN) (resid 33 and name HB1) 1.8 0.0 4.2
assign (resid 35 and name HN) (resid 33 and name HB2) 1.8 0.0 4.2

assign (resid 35 and name HN) (resid 33 and name HD2#) 1.8 0.0 4.2

assign (resid 35 and name HN) (resid 34 and name HA#) 1.8 0.0 1.7

assign (resid 35 and name HN)  (resid 36 and name HN) 1.8 0.0 1.1

assign (resid 35 and name HN) (resid 36 and name HB) 1.8 0.0 4.5

assign (resid 35 and name HN) (resid 36 and name HG1#) 1.8 0.0 4.5

assign (resid 35 and name HN)  (resid 38 and name HN) 1.8 0.0 4.5

assign (resid 35 and name HN) (resid 39 and name HB#) 1.8 0.0 5.2


assign (resid 35 and name HA) (resid 37 and name HN) 1.8 0.0 3.2

assign (resid 35 and name HA) (resid 39 and name HN) 1.8 0.0 3.2

assign (resid 35 and name HA) (resid 38 and name HN) 1.8 0.0 3.2   !add 201404


assign (resid 35 and name HB)  (resid 36 and name HN) 1.8 0.0 3.2

assign (resid 35 and (name HG1# or name HG2#)) (resid 15 and name HA) 1.8 0.0 4.5

assign (resid 35 and (name HG1# or name HG2#)) (resid 15 and name HB1) 1.8 0.0 4.2
assign (resid 35 and (name HG1# or name HG2#)) (resid 15 and name HB2) 1.8 0.0 4.2

assign (resid 35 and (name HG1# or name HG2#)) (resid 15 and name HD#) 1.8 0.0 4.2

assign (resid 35 and (name HG1# or name HG2#)) (resid 36 and name HN) 1.8 0.0 3.2








!Ile-36

!inter

assign (resid 36 and name HA) (resid 36 and name HB) 1.8 0.0 1.7

assign (resid 36 and name HA) (resid 36 and name HN) 1.8 0.0 1.7

assign (resid 36 and name HA) (resid 36 and name HG2#) 1.8 0.0 1.7

assign (resid 36 and name HB) (resid 36 and name HN) 1.8 0.0 1.7

assign (resid 36 and name HB) (resid 36 and name HG2#) 1.8 0.0 1.1

assign (resid 36 and name HG11) (resid 36 and name HN) 1.8 0.0 3.2
assign (resid 36 and name HG12) (resid 36 and name HN) 1.8 0.0 3.2

assign (resid 36 and name HG11) (resid 36 and name HA) 1.8 0.0 1.7
assign (resid 36 and name HG12) (resid 36 and name HA) 1.8 0.0 3.2

assign (resid 36 and name HG11) (resid 36 and name HB) 1.8 0.0 1.7
assign (resid 36 and name HG12) (resid 36 and name HB) 1.8 0.0 1.7

assign (resid 36 and name HG11) (resid 36 and name HD1#) 1.8 0.0 1.1
assign (resid 36 and name HG12) (resid 36 and name HD1#) 1.8 0.0 1.1

assign (resid 36 and name HN) (resid 36 and name HG2#) 1.8 0.0 3.2

assign (resid 36 and name HG2#) (resid 36 and name HG11) 1.8 0.0 1.7
assign (resid 36 and name HG2#) (resid 36 and name HG12) 1.8 0.0 1.7

assign (resid 36 and name HD1#) (resid 36 and name HA) 1.8 0.0 3.2

assign (resid 36 and name HD1#) (resid 36 and name HB) 1.8 0.0 1.1

assign (resid 36 and name HN)  (resid 36 and name HD1#) 1.8 0.0 3.2


!inter

assign (resid 36 and name HN) (resid 31 and name HA)   1.8 0.0 5.2  

! assign (resid 36 and name HN) (resid 31 and name HN)   1.8 0.0 5.2 

assign (resid 36 and name HN) (resid 33 and name HA)   1.8 0.0 4.2 

assign (resid 36 and name HN) (resid 34 and name HA#)  1.8 0.0 3.2

assign (resid 36 and name HN) (resid 34 and name HN)   1.8 0.0 4.2

assign (resid 36 and name HN) (resid 35 and name HA)   1.8 0.0 4.2 

assign (resid 36 and name HN) (resid 35 and name HB)   1.8 0.0 4.2 

assign (resid 36 and name HN) (resid 39 and name HB#)   1.8 0.0 4.2 


assign (resid 36 and name HA) (resid 35 and name HN) 1.8 0.0 4.2 

assign (resid 36 and name HA) (resid 37 and name HN) 1.8 0.0 3.2   

assign (resid 36 and name HA) (resid 42 and name HN) 1.8 0.0 4.2 


assign (resid 36 and name HB) (resid 31 and name HA) 1.8 0.0 6.2

assign (resid 36 and name HB) (resid 35 and name HG1#) 1.8 0.0 4.2
assign (resid 36 and name HB) (resid 35 and name HG2#) 1.8 0.0 4.5

assign (resid 36 and name HB) (resid 42 and name HN) 1.8 0.0 6.2



assign (resid 36 and name HG1#) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 4.2

assign (resid 36 and name HG1#) (resid 42 and name HN) 1.8 0.0 4.5


assign (resid 36 and name HG2#) (resid 35 and name HN) 1.8 0.0 4.2

assign (resid 36 and name HG2#) (resid 37 and name HN) 1.8 0.0 3.2

assign (resid 36 and name HG2#) (resid 40 and name HA#) 1.8 0.0 4.2

assign (resid 36 and name HG2#) (resid 41 and name HN) 1.8 0.0 3.2

assign (resid 36 and name HG2#) (resid 41 and name HB#) 1.8 0.0 4.2

assign (resid 36 and name HG2#) (resid 41 and name HG) 1.8 0.0 4.2

assign (resid 36 and name HG2#) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 3.2

assign (resid 36 and name HG2#) (resid 42 and name HN) 1.8 0.0 4.5

assign (resid 36 and name HG2#) (resid 44 and (name HG1# or name HG2#)) 1.8 0.0 3.2

assign (resid 36 and name HG2#) (resid 66 and name HD#)  1.8 0.0 4.2  


assign (resid 36 and name HD1#) 
      ((resid 30 and name HG) or (resid 43 and name HB#)) 1.8 0.0 4.2 

assign (resid 36 and name HD1#) (resid 41 and name HB#)  1.8 0.0 3.2     

assign (resid 36 and name HD1#) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 3.2

assign (resid 36 and name HD1#) (resid 42 and name HN) 1.8 0.0 5.2

assign (resid 36 and name HD1#) (resid 44 and (name HG1# or name HG2#)) 1.8 0.0 3.2

assign (resid 36 and name HD1#) (resid 66 and name HD#)  1.8 0.0 3.2  







!Asp-37

!intra

assign (resid 37 and name HB2) (resid 37 and name HA)   1.8 0.0 1.7
assign (resid 37 and name HA)  (resid 37 and name HB1)  1.8 0.0 1.7

assign (resid 37 and name HN) (resid 37 and name HB1) 1.8 0.0 3.2
assign (resid 37 and name HN) (resid 37 and name HB2) 1.8 0.0 1.7

assign (resid 37 and name HN) (resid 37 and name HA) 1.8 0.0 1.7

!inter

!!!assign (resid 37 and name HN) (resid 34 and name HA#) 1.8 0.0 4.2

assign (resid 37 and name HN) (resid 36 and name HB) 1.8 0.0 3.2

assign (resid 37 and name HN) (resid 36 and name HN) 1.8 0.0 3.2

assign (resid 37 and name HN) (resid 36 and name HG11) 1.8 0.0 3.2
assign (resid 37 and name HN) (resid 36 and name HG12) 1.8 0.0 3.2

assign (resid 37 and name HN) (resid 36 and name HG2#) 1.8 0.0 4.2


! assign (resid 37 and name HN) (resid 43 and name HG#) 1.8 0.0 4.2

assign (resid 37 and name HA) (resid 41 and name HN) 1.8 0.0 4.2   !add 201404








!Sat-38

!intra

assign (resid 38 and name HA)  (resid 38 and name HB#) 1.8 0.0 1.7

assign (resid 38 and name HN) (resid 38 and name HA) 1.8 0.0 1.7

assign (resid 38 and name H3) (resid 38 and name H6#) 1.8 0.0 3.2   !add 201404

assign (resid 38 and name H3) (resid 38 and name HE#) 1.8 0.0 1.7   !add 201404

assign (resid 38 and name H7#) (resid 38 and name H9) 1.8 0.0 3.2   !add 201408

assign (resid 38 and name HE#) (resid 38 and name H9) 1.8 0.0 3.2   !add 201408

assign (resid 38 and name H11#) (resid 38 and name H9) 1.8 0.0 1.7   !add 201408                                                   

assign (resid 38 and name H10#) (resid 38 and name H9) 1.8 0.0 1.1   !add 201408


!inter

assign (resid 38 and name HN) (resid 37 and name HA) 1.8 0.0 1.7

assign (resid 38 and name HN) (resid 37 and name HB1) 1.8 0.0 3.2
assign (resid 38 and name HN) (resid 37 and name HB2) 1.8 0.0 3.2

! assign (resid 38 and name H6#) (resid 65 and name HN) 1.8 0.0 3.2

assign (resid 38 and name H5)(resid 65 and name HN) 1.8 0.0 4.5

assign (resid 38 and name HN) (resid 37 and name HN) 1.8 0.0 3.2

assign (resid 38 and name HN) (resid 39 and name HN) 1.8 0.0 3.2

assign (resid 38 and name HN) (resid 39 and name HA) 1.8 0.0 3.2   !add 201404

assign (resid 38 and name HN) (resid 40 and name HA#) 1.8 0.0 4.2  !add 201404

assign (resid 38 and name HA) (resid 40 and name HN) 1.8 0.0 4.2   

assign (resid 38 and name HA) (resid 41 and name HB1) 1.8 0.0 4.2  !add 201404 
assign (resid 38 and name HA) (resid 41 and name HB2) 1.8 0.0 4.2  !add 201404 

assign (resid 38 and name HA) (resid 41 and name HB1) 1.8 0.0 4.2 

assign (resid 38 and name HA) (resid 41 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 38 and name HA) (resid 41 and name HB#) 1.8 0.0 3.2   !add 201404

assign (resid 38 and name HA) (resid 41 and name HD1#) 1.8 0.0 3.2   !add 201404

assign (resid 38 and name HE#) (resid 65 and name HN) 1.8 0.0 3.2   !add 201408

assign (resid 38 and name H10#) (resid 41 and name HN) 1.8 0.0 3.2   !add 201408 SAT'







!Leu-39

!intra

assign (resid 39 and name HA) (resid 39 and name HN) 1.8 0.0 1.7

assign (resid 39 and name HA) (resid 39 and name HB1) 1.8 0.0 1.1
assign (resid 39 and name HA) (resid 39 and name HB2) 1.8 0.0 1.1    

assign (resid 39 and name HA) (resid 39 and name HD2#) 1.8 0.0 1.7    
assign (resid 39 and name HD1#) (resid 39 and name HA) 1.8 0.0 1.7

assign (resid 39 and name HB1) (resid 39 and name HN) 1.8 0.0 2.5
assign (resid 39 and name HB2) (resid 39 and name HN) 1.8 0.0 2.5

assign (resid 39 and name HG) (resid 39 and name HN)  1.8 0.0 3.2

assign (resid 39 and name HB1) (resid 39 and (name HD1# or name HD2#)) 1.8 0.0 1.1     
assign (resid 39 and name HB2) (resid 39 and (name HD1# or name HD2#)) 1.8 0.0 1.1     

assign (resid 39 and (name HD1# or name HD2#)) (resid 39 and name HG) 1.8 0.0 3.2    

assign (resid 39 and name HN) (resid 39 and (name HD1# or name HD2#)) 1.8 0.0 4.2

assign (resid 39 and name HB1) (resid 39 and name HG) 1.8 0.0 1.1
assign (resid 39 and name HB2) (resid 39 and name HG) 1.8 0.0 1.1

!inter

! assign (resid 39 and name HN) (resid 37 and name HB#) 1.8 0.0 3.2
! check 20111102

!!! assign (resid 39 and name HN) (resid 37 and name HN) 1.8 0.0 4.2


assign (resid 39 and name HB#) (resid 40 and name HN) 1.8 0.0 3.2


assign (resid 39 and name HN) (resid 40 and name HN) 1.8 0.0 3.2

assign (resid 39 and name HN) (resid 38 and name HA) 1.8 0.0 1.7

assign (resid 39 and name HA) (resid 42 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 39 and name HA) (resid 43 and name HN) 1.8 0.0 4.2    !add 201404

assign (resid 39 and name HN) (resid 43 and name HN) 1.8 0.0 4.5    !add 201404

assign (resid 39 and name HN) (resid 42 and name HN) 1.8 0.0 4.2    !add 201404





!Gly-40

!intra

assign (resid 40 and name HA1) (resid 40 and name HN) 1.8 0.0 1.7
assign (resid 40 and name HA2) (resid 40 and name HN) 1.8 0.0 1.7

!inter

assign (resid 40 and name HN)  (resid 36 and name HG2#)   1.8 0.0 4.2  !add

!!assign (resid 40 and name HA1) (resid 15 and name HE#) 1.8 0.0 4.2
!!assign (resid 40 and name HA2) (resid 15 and name HE#) 1.8 0.0 4.2


assign (resid 40 and name HA1) (resid 36 and name HG2#) 1.8 0.0 4.2
assign (resid 40 and name HA2) (resid 36 and name HG2#) 1.8 0.0 4.2

assign (resid 40 and name HA1) (resid 39 and name HN) 1.8 0.0 3.2    !add 201404
assign (resid 40 and name HA2) (resid 39 and name HN) 1.8 0.0 4.2    !add 201404

assign (resid 40 and name HA1) (resid 39 and name HB#) 1.8 0.0 3.2    !add 201404
assign (resid 40 and name HA2) (resid 39 and name HB#) 1.8 0.0 3.2    !add 201404   

assign (resid 40 and name HA1) (resid 43 and name HD#) 1.8 0.0 3.2    !add 201404
assign (resid 40 and name HA2) (resid 43 and name HD#) 1.8 0.0 3.2    !add 201404

assign (resid 40 and name HN)  (resid 37 and name HN)   1.8 0.0 4.2


assign (resid 40 and name HA1) (resid 42 and name HN) 1.8 0.0 3.2    !add 201404
assign (resid 40 and name HA2) (resid 42 and name HN) 1.8 0.0 3.2    !add 201404


assign (resid 40 and name HA1) (resid 43 and name HN) 1.8 0.0 3.2    !add 201404
assign (resid 40 and name HA2) (resid 43 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 40 and name HA1) (resid 43 and name HD#) 1.8 0.0 4.2
assign (resid 40 and name HA2) (resid 43 and name HD#) 1.8 0.0 4.2

assign (resid 40 and name HN)  (resid 38 and name HN) 1.8 0.0 3.2

assign (resid 40 and name HN) (resid 39 and name HB1) 1.8 0.0 1.7
assign (resid 40 and name HN) (resid 39 and name HB2) 1.8 0.0 3.2



assign (resid 40 and name HN) (resid 39 and (name HD1# or name HD2#)) 1.8 0.0 3.2

assign (resid 40 and name HN) (resid 39 and name HA) 1.8 0.0 1.7

assign (resid 40 and name HN) (resid 39 and name HG) 1.8 0.0 3.2

assign (resid 40 and name HN)  (resid 41 and name HN) 1.8 0.0 1.1

assign (resid 40 and name HN)  (resid 41 and name HA) 1.8 0.0 4.2    !add 201404
  
assign (resid 40 and name HN)  (resid 37 and name HB#) 1.8 0.0 4.2   !add 201404


assign (resid 40 and name HN) (resid 42 and name HN) 1.8 0.0 3.2


assign (resid 40 and name HN) (resid 44 and name HN) 1.8 0.0 4.2     !add 201404




!Leu-41

!intra

assign (resid 41 and name HA) (resid 41 and name HN) 1.8 0.0 1.7

assign (resid 41 and name HA) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 1.7

assign (resid 41 and name HB#) (resid 41 and name HN) 1.8 0.0 1.7

assign (resid 41 and name HB#) (resid 41 and name HA) 1.8 0.0 1.1

assign (resid 41 and name HB#) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 1.1

assign (resid 41 and name HB#) (resid 41 and name HG) 1.8 0.0 1.1

assign (resid 41 and name HN) (resid 41 and name HG) 1.8 0.0 3.2

assign (resid 41 and (name HD1# or name HD2#)) (resid 41 and name HG) 1.8 0.0 1.1
assign (resid 41 and name HN) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 3.2

!inter

assign (resid 41 and name HA) (resid 36 and name HG2#) 1.8 0.0 3.2

assign (resid 41 and name HN) (resid 36 and name HG2#) 1.8 0.0 3.2


assign (resid 41 and name HN) (resid 37 and name HN)   1.8 0.0 4.2


assign (resid 41 and name HN)  (resid 39 and (name HD1# or name HD2#)) 1.8 0.0 3.2

!!assign (resid 41 and (name HD1# or name HD2#)) (resid 39 and name HA)  1.8 0.0 4.2

assign (resid 41 and name HN) (resid 39 and name HA)   1.8 0.0 3.2

assign (resid 41 and name HN)  (resid 39 and name HN)  1.8 0.0 3.2


assign (resid 41 and name HN) (resid 40 and name HA1) 1.8 0.0 1.1
assign (resid 41 and name HN) (resid 40 and name HA2) 1.8 0.0 1.7


assign (resid 41 and name HN)  (resid 42 and name HN) 1.8 0.0 1.7

assign (resid 41 and name HB#) (resid 42 and name HN) 1.8 0.0 2.5   ! double emerge

assign (resid 41 and (name HD1# or name HD2#)) (resid 42 and name HA) 1.8 0.0 3.2

assign (resid 41 and (name HD1# or name HD2#)) (resid 42 and name HG) 1.8 0.0 4.2

! !assign (resid 41 and name HN)  (resid 42 and name HG) 1.8 0.0 4.2
! violated 20110920

assign (resid 41 and name HA)  (resid 44 and name HG#) 1.8 0.0 1.7    !HG2#

assign (resid 41 and name HA)  (resid 44 and name HN) 1.8 0.0 3.2    !add 201404   


assign (resid 41 and name HA)  (resid 44 and name HB) 1.8 0.0 3.2    !add 201404


!assign (resid 41 and name HB#) (resid 45 and name HD1#) 1.8 0.0 3.2

assign (resid 41 and name HG)  (resid 45 and name HD1#) 1.8 0.0 3.2


!assign (resid 41 and (name HD1# or name HD2#)) (resid 66 and name HE#) 1.8 0.0 3.2

assign (resid 41 and name HD1#)  (resid 61 and name HB1) 1.8 0.0 4.2    !add 201404
assign (resid 41 and name HD1#)  (resid 61 and name HB2) 1.8 0.0 4.2    !add 201404

assign (resid 41 and name HN)  (resid 43 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 41 and name HD1#)  (resid 66 and name HD#1) 1.8 0.0 4.2    !add 201404
assign (resid 41 and name HD1#)  (resid 66 and name HE#1) 1.8 0.0 4.2    !add 201404

assign (resid 41 and name HD1#)  (resid 66 and name HB#) 1.8 0.0 4.2    !add 201405


!Leu-42

!intra

assign (resid 42 and name HA)  (resid 42 and name HN)  1.8 0.0 1.7

assign (resid 42 and name HA) (resid 42 and name HD1#) 1.8 0.0 3.2
assign (resid 42 and name HD2#) (resid 42 and name HA) 1.8 0.0 3.2

assign (resid 42 and name HB1) (resid 42 and name HA) 1.8 0.0 1.7
assign (resid 42 and name HB2) (resid 42 and name HA) 1.8 0.0 1.7

assign (resid 42 and name HB1) (resid 42 and name HN) 1.8 0.0 1.7
assign (resid 42 and name HB2) (resid 42 and name HN) 1.8 0.0 1.7

assign (resid 42 and name HG)  (resid 42 and name HA)    1.8 0.0 1.7

assign (resid 42 and name HG)  (resid 42 and name HB#)   1.8 0.0 1.7

assign (resid 42 and name HG)  (resid 42 and name HD2#)  1.8 0.0 1.7
assign (resid 42 and name HG)  (resid 42 and name HD1#)  1.8 0.0 1.1

assign (resid 42 and name HG)  (resid 42 and name HN)    1.8 0.0 3.2

assign (resid 42 and name HB1) (resid 42 and name HD1#) 1.8 0.0 1.1
assign (resid 42 and name HB2) (resid 42 and name HD1#) 1.8 0.0 1.7
assign (resid 42 and name HB1) (resid 42 and name HD2#) 1.8 0.0 1.1
assign (resid 42 and name HB2) (resid 42 and name HD2#) 1.8 0.0 1.1

!assign (resid 42 and name HN) (resid 42 and name HD1#)  1.8 0.0 3.2
!assign (resid 42 and name HN) (resid 42 and name HD2#)  1.8 0.0 3.2


!inter

assign (resid 42 and name HB2) (resid 39 and name HA)  1.8 0.0 4.2
assign (resid 42 and name HB1) (resid 39 and name HA)  1.8 0.0 4.2    ! manual add



assign (resid 42 and name HN) (resid 41 and name HA) 1.8 0.0 1.7

assign (resid 42 and name HN) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 3.2

! assign (resid 42 and name HN) (resid 43 and name HA) 1.8 0.0 3.5
! check 20111102

assign (resid 42 and name HB#) (resid 43 and name HN)  1.8 0.0 3.2    ! HB2

! assign (resid 42 and name HN) (resid 44 and name HB) 1.8 0.0 3.2
! check 20111102

assign (resid 42 and name HN)  (resid 43 and name HN) 1.8 0.0 1.7

assign (resid 42 and name HN) (resid 44 and name HN) 1.8 0.0 3.2


!ssign(resid 42 and name HA) (resid 45 and name HB)   1.8 0.0 3.2   ! double emerge

assign (resid 42 and name HA) (resid 45 and name HD1#)  1.8 0.0 3.2

assign (resid 42 and name HA) (resid 45 and name HG2#) 1.8 0.0 4.2


assign (resid 42 and name HD#) (resid 43 and name HA)  1.8 0.0 3.2

assign (resid 42 and name HB#) (resid 43 and name HA)  1.8 0.0 3.2    !add 201404

assign (resid 42 and name HN) (resid 43 and name HN)  1.8 0.0 3.2     !add 201404

assign (resid 42 and name HN) (resid 44 and name HN)  1.8 0.0 4.2     !add 201404






!Lys-43

!intra

assign (resid 43 and name HA)  (resid 43 and name HN)  1.8 0.0 1.1

assign (resid 43 and name HA)  (resid 43 and name HB1) 1.8 0.0 1.1
assign (resid 43 and name HA)  (resid 43 and name HB2) 1.8 0.0 1.1

assign (resid 43 and name HA)  (resid 43 and name HG1) 1.8 0.0 3.2
assign (resid 43 and name HA)  (resid 43 and name HG2) 1.8 0.0 3.2

assign (resid 43 and name HB1) (resid 43 and name HN)  1.8 0.0 1.7    
assign (resid 43 and name HB2) (resid 43 and name HN)  1.8 0.0 1.7

assign (resid 43 and name HB1) (resid 43 and name HG1) 1.8 0.0 1.7
assign (resid 43 and name HB1) (resid 43 and name HG2) 1.8 0.0 1.7
assign (resid 43 and name HB2) (resid 43 and name HG1) 1.8 0.0 1.7
assign (resid 43 and name HB2) (resid 43 and name HG2) 1.8 0.0 1.7    

assign (resid 43 and name HD#) (resid 43 and name HA)  1.8 0.0 3.2

assign (resid 43 and name HD#) (resid 43 and name HB1) 1.8 0.0 1.7
assign (resid 43 and name HB2) (resid 43 and name HD#) 1.8 0.0 1.7

assign (resid 43 and name HN)  (resid 43 and name HG1) 1.8 0.0 3.2
assign (resid 43 and name HN)  (resid 43 and name HG2) 1.8 0.0 3.2

assign (resid 43 and name HD#) (resid 43 and name HE#) 1.8 0.0 1.1

assign (resid 43 and name HE#) (resid 43 and name HB2) 1.8 0.0 3.2
assign (resid 43 and name HE#) (resid 43 and name HB1) 1.8 0.0 3.2


assign (resid 43 and name HE#) (resid 43 and name HG1) 1.8 0.0 1.7
assign (resid 43 and name HE#) (resid 43 and name HG2) 1.8 0.0 1.7

assign (resid 43 and name HN) (resid 43 and name HD#) 1.8 0.0 3.2   ! strength unsure

assign (resid 43 and name HN) (resid 43 and name HE#) 1.8 0.0 3.2   ! strength unsure

!inter

!assign (resid 43 and name HD#) (resid 14 and name HG#) 1.8 0.0 4.2  !Key
! violated 20110920


!!!assign (resid 43 and name HD#) (resid 14 and name HB#) 1.8 0.0 4.2
! violated 20110920

! !assign (resid 43 and name HE#) (resid 14 and name HG#) 1.8 0.0 4.2    
! violated 20110920


!!assign (resid 43 and name HB#) (resid 40 and name HA#) 1.8 0.0 3.2
assign (resid 43 and name HB2) (resid 40 and name HA2) 1.8 0.0 3.2    ! this is certain


assign (resid 43 and name HN) (resid 44 and name HN) 1.8 0.0 1.1

assign (resid 43 and name HN) (resid 41 and name HA) 1.8 0.0 4.2


assign (resid 43 and name HN) (resid 42 and name HB1) 1.8 0.0 3.2
assign (resid 43 and name HN) (resid 42 and name HB2) 1.8 0.0 3.2

assign (resid 43 and name HN) (resid 42 and name HA) 1.8 0.0 3.2

assign (resid 43 and name HN) (resid 42 and name HG) 1.8 0.0 3.2


assign (resid 43 and name HN) (resid 42 and name HD1#) 1.8 0.0 3.2
assign (resid 43 and name HN) (resid 42 and name HD2#) 1.8 0.0 3.2

! assign (resid 43 and name HB#) (resid 42 and name HB#) 1.8 0.0 3.2
! check 20111102

assign (resid 43 and name HN) (resid 41 and name HA) 1.8 0.0 3.2     !add 201404

assign (resid 43 and name HN) (resid 46 and name HB#) 1.8 0.0 4.2     !add 201404







!Val-44

!intra

assign (resid 44 and name HA) (resid 44 and name HN) 1.8 0.0 3.2    ! need HN NOE

assign (resid 44 and name HB) (resid 44 and name HA) 1.8 0.0 1.7

assign (resid 44 and name HA) (resid 44 and name HG2#) 1.8 0.0 1.7
assign (resid 44 and name HG1#) (resid 44 and name HA) 1.8 0.0 1.7

assign (resid 44 and name HB) (resid 44 and name HN) 1.8 0.0 1.7

assign (resid 44 and name HB) (resid 44 and name HG1#) 1.8 0.0 1.1
assign (resid 44 and name HG2#) (resid 44 and name HB) 1.8 0.0 1.1

assign (resid 44 and name HG1#) (resid 44 and name HN) 1.8 0.0 3.2
assign (resid 44 and name HG2#) (resid 44 and name HN) 1.8 0.0 1.1

!inter

assign (resid 44 and name HA) (resid 47 and name HE1) 1.8 0.0 5.2

assign (resid 44 and (name HG1# or name HG2#)) (resid 43 and name HB2) 1.8 0.0 3.2
assign (resid 44 and (name HG1# or name HG2#)) (resid 43 and name HB1) 1.8 0.0 3.2

! assign (resid 44 and name HA) (resid 43 and name HB#) 1.8 0.0 3.2
! check 20111102

assign (resid 44 and name HB) (resid 45 and name HN) 1.8 0.0 1.7    ! double emerge


assign (resid 44 and (name HG1# or name HG2#)) (resid 47 and name HE3) 1.8 0.0 3.2

assign (resid 44 and (name HG1# or name HG2#)) (resid 47 and name HH2) 1.8 0.0 4.2

assign (resid 44 and name HA) (resid 47 and name HB#) 1.8 0.0 3.2    !HB2

assign (resid 44 and name HA) (resid 47 and name HH2) 1.8 0.0 4.2     !add 201404

assign (resid 44 and name HA) (resid 45 and name HN) 1.8 0.0 3.2     !add 201404

assign (resid 44 and name HA) (resid 47 and name HN) 1.8 0.0 3.2     !add 201404

assign (resid 44 and name HN) (resid 46 and name HN) 1.8 0.0 3.2     !add 201404

assign (resid 44 and name HN) (resid 47 and name HN) 1.8 0.0 3.2     !add 201404

assign (resid 44 and name HA) (resid 45 and name HD1#) 1.8 0.0 3.2     !add 201404

assign (resid 44 and name HA) (resid 48 and name HN) 1.8 0.0 3.2     !add 201404




!Ile-45

!intra


assign (resid 45 and name HA) (resid 45 and name HB) 1.8 0.0 1.7

assign (resid 45 and name HA) (resid 45 and name HN) 1.8 0.0 1.3

assign (resid 45 and name HB) (resid 45 and name HN)   1.8 0.0 1.7

assign (resid 45 and name HB)   (resid 45 and name HG12) 1.8 0.0 1.7
assign (resid 45 and name HG11) (resid 45 and name HB) 1.8 0.0 3.2

assign (resid 45 and name HD1#) (resid 45 and name HA) 1.8 0.0 3.2

assign (resid 45 and name HG11) (resid 45 and name HA) 1.8 0.0 3.2
assign (resid 45 and name HG12) (resid 45 and name HA) 1.8 0.0 3.2


assign (resid 45 and name HG2#) (resid 45 and name HG11) 1.8 0.0 1.7
assign (resid 45 and name HG2#) (resid 45 and name HG12) 1.8 0.0 1.7

assign (resid 45 and name HG1#) (resid 45 and name HN) 1.8 0.0 1.7   ! only HG12

assign (resid 45 and name HN) (resid 45 and name HG2#) 1.8 0.0 1.7

assign (resid 45 and name HG11) (resid 45 and name HD1#) 1.8 0.0 1.1
assign (resid 45 and name HG12) (resid 45 and name HD1#) 1.8 0.0 1.1

assign (resid 45 and name HG1#) (resid 45 and name HN) 1.8 0.0 3.2    ! HG11

assign (resid 45 and name HG2#) (resid 45 and name HA) 1.8 0.0 1.7

assign (resid 45 and name HG2#) (resid 45 and name HB) 1.8 0.0 1.1



assign (resid 45 and name HN) (resid 45 and name HD1#) 1.8 0.0 1.7

assign (resid 45 and name HG2#) (resid 45 and name HN) 1.8 0.0 3.2

assign (resid 45 and name HN) (resid 47 and name HN) 1.8 0.0 3.2     !add 201404

assign (resid 45 and name HN) (resid 43 and name HN) 1.8 0.0 3.2     !add 201404

assign (resid 45 and name HN) (resid 42 and name HA) 1.8 0.0 3.2     !add 201404

assign (resid 45 and name HN) (resid 47 and name HE3) 1.8 0.0 4.2     !add 201404




!inter

!!!assign (resid 45 and name HN) (resid 43 and name HA) 1.8 0.0 3.2

!assign (resid 45 and name HD1#) (resid 43 and name HA)  1.8 0.0 3.2


!assign (resid 45 and name HA) (resid 44 and name HN) 1.8 0.0 4.2

! assign (resid 45 and name HB) (resid 44 and name HA) 1.8 0.0 4.2    
! check 20111102

assign (resid 45 and name HN) (resid 44 and name HA) 1.8 0.0 1.7

assign (resid 45 and name HN) (resid 44 and name HN) 1.8 0.0 1.7


assign (resid 45 and name HG2#) (resid 49 and (name HG# or name HB#)) 1.8 0.0 1.7


assign (resid 45 and name HB) (resid 46 and name HN)   1.8 0.0 3.2     

assign (resid 45 and name HG2#) (resid 46 and name HN) 1.8 0.0 3.2

!!!assign (resid 45 and name HN) (resid 46 and name HB#) 1.8 0.0 3.2

assign (resid 45 and name HN) (resid 46 and name HN) 1.8 0.0 1.7

assign (resid 45 and name HD1#) (resid 41 and name HG)  1.8 0.0 3.2


!!!assign (resid 45 and name HG2#) (resid 56 and name HA) 1.8 0.0 4.2     

!!!assign (resid 45 and name HG2#) (resid 56 and name HB#) 1.8 0.0 3.2


assign (resid 45 and name HD1#) (resid 61 and (name HD1# or name HD2#)) 1.8 0.0 4.2   


assign (resid 45 and name HA) (resid 48 and name HB1) 1.8 0.0 3.2    !add 201404
assign (resid 45 and name HA) (resid 48 and name HB2) 1.8 0.0 3.2    !add 201404

assign (resid 45 and name HA) (resid 46 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 45 and name HA) (resid 47 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 45 and name HA) (resid 48 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 45 and name HA) (resid 49 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 45 and name HD1#) (resid 56 and name HB#) 1.8 0.0 3.2    !add 201405





!Ala-46

!intra

assign (resid 46 and name HA) (resid 46 and name HN) 1.8 0.0 1.7

assign (resid 46 and name HA) (resid 46 and name HB#) 1.8 0.0 1.1

assign (resid 46 and name HB#) (resid 46 and name HN) 1.8 0.0 1.7

!inter

assign (resid 46 and name HN) (resid 45 and name HD1#) 1.8 0.0 3.2

assign (resid 46 and name HN) (resid 45 and name HG1#) 1.8 0.0 3.2   !HG12

assign (resid 46 and name HN) (resid 45 and name HA)  1.8 0.0 3.2


! assign (resid 46 and name HN) ((resid 43 and name HB# or resid 44 and name HB ))  1.8 0.0 3.2
! check 20111102

! assign (resid 46 and name HN) (resid 47 and name HB#)  1.8 0.0 3.2
! check 20111102

assign (resid 46 and name HA) (resid 49 and name HB1)  1.8 0.0 3.2    !add 201404
assign (resid 46 and name HA) (resid 49 and name HB2)  1.8 0.0 3.2    !add 201404

assign (resid 46 and name HA) (resid 49 and name HN)  1.8 0.0 3.2    !add 201404

assign (resid 46 and name HA) (resid 47 and name HN)  1.8 0.0 3.2    !add 201404



assign (resid 46 and name HB#) (resid 44 and (name HG1# or name HG2#)) 1.8 0.0 3.2


assign (resid 46 and name HA) (resid 49 and name HG#) 1.8 0.0 3.2







!Trp-47

!intra

assign (resid 47 and name HA) (resid 47 and name HN)  1.8 0.0 1.7

assign (resid 47 and name HA) (resid 47 and name HB1) 1.8 0.0 1.7
assign (resid 47 and name HB2) (resid 47 and name HA) 1.8 0.0 1.7

assign (resid 47 and name HA) (resid 47 and name HE3) 1.8 0.0 3.2

assign (resid 47 and name HE1) (resid 47 and name HA) 1.8 0.0 4.2

assign (resid 47 and name HB1) (resid 47 and name HN) 1.8 0.0 1.7
assign (resid 47 and name HB2) (resid 47 and name HN) 1.8 0.0 1.7

assign (resid 47 and name HB#) (resid 47 and name HE1) 1.8 0.0 3.2   


!inter

! assign (resid 47 and name HE1) (resid 43 and name HB#) 1.8 0.0 4.2  
! 20111101

assign (resid 47 and name HN) (resid 48 and (name HD2# or name HD1#)) 1.8 0.0 3.5

assign (resid 47 and name HN) (resid 48 and name HN) 1.8 0.0 1.1

assign (resid 47 and name HN) (resid 49 and name HN) 1.8 0.0 3.2    !add 201404



assign (resid 47 and name HN) (resid 46 and name HB#)  1.8 0.0 1.7

assign (resid 47 and name HN) (resid 46 and name HN) 1.8 0.0 1.1


assign (resid 47 and name HA) (resid 50 and name HB1) 1.8 0.0 1.7
assign (resid 47 and name HA) (resid 50 and name HB2) 1.8 0.0 1.7



assign (resid 47 and name HE1) (resid 51 and name HB1) 1.8 0.0 4.2
assign (resid 47 and name HE1) (resid 51 and name HB2) 1.8 0.0 3.2

assign (resid 47 and name HE1) (resid 51 and name HD1) 1.8 0.0 4.2
assign (resid 47 and name HE1) (resid 51 and name HD2) 1.8 0.0 4.2

assign (resid 47 and name HE1) (resid 51 and name HG1) 1.8 0.0 3.2
assign (resid 47 and name HE1) (resid 51 and name HG2) 1.8 0.0 3.2







!Leu

!intra

assign (resid 48 and name HA) (resid 48 and name HB1) 1.8 0.0 1.7
assign (resid 48 and name HA) (resid 48 and name HB2) 1.8 0.0 1.7

assign (resid 48 and name HA) (resid 48 and name HN)  1.8 0.0 1.7

assign (resid 48 and name HB2) (resid 48 and name HN) 1.8 0.0 1.7
assign (resid 48 and name HB1) (resid 48 and name HN) 1.8 0.0 1.7

assign (resid 48 and name HD#) (resid 48 and name HB1) 1.8 0.0 1.7
assign (resid 48 and name HD#) (resid 48 and name HB2) 1.8 0.0 1.7

assign (resid 48 and name HB1) (resid 48 and name HD1#) 1.8 0.0 1.1
assign (resid 48 and name HB2) (resid 48 and name HD2#) 1.8 0.0 1.1     


assign (resid 48 and name HB2) (resid 48 and name HG)   1.8 0.0 1.1     
assign (resid 48 and name HG)  (resid 48 and name HB1)  1.8 0.0 1.1     

assign (resid 48 and name HN) (resid 48 and name HG)   1.8 0.0 3.2

assign (resid 48 and name HD1#) (resid 48 and name HA) 1.8 0.0 1.7
assign (resid 48 and name HD2#) (resid 48 and name HA) 1.8 0.0 3.2

assign (resid 48 and name HD1#) (resid 48 and name HG) 1.8 0.0 1.1
assign (resid 48 and name HD2#) (resid 48 and name HG) 1.8 0.0 1.1

assign (resid 48 and name HN) (resid 48 and (name HD2# or name HD1#)) 1.8 0.0 1.7

assign (resid 48 and name HG) (resid 48 and name HA) 1.8 0.0 3.2

!inter

!assign (resid 48 and name HD#) (resid 7 and name HD1#) 1.8 0.0 3.5


assign (resid 48 and name HA) (resid 10 and name HE#) 1.8 0.0 4.5


assign (resid 48 and name HA) (resid 10 and name HZ) 1.8 0.0 4.2


assign (resid 48 and name HB2) (resid 45 and name HA) 1.8 0.0 3.2
assign (resid 48 and name HB1) (resid 45 and name HA) 1.8 0.0 3.2

assign (resid 48 and name HN) (resid 45 and name HA) 1.8 0.0 3.2

assign (resid 48 and name HD#) (resid 47 and name HE3) 1.8 0.0 3.2    !HD2#
assign (resid 48 and name HD#) (resid 47 and name HZ3) 1.8 0.0 4.2

assign (resid 48 and name HA) (resid 47 and name HE3) 1.8 0.0 3.2    !add 201404 

assign (resid 48 and name HA) (resid 50 and name HB#) 1.8 0.0 3.2    !add 201404

assign (resid 48 and name HN) (resid 47 and name HB#) 1.8 0.0 1.7

assign (resid 48 and name HN) (resid 47 and name HA) 1.8 0.0 3.2

assign (resid 48 and name HN) (resid 50 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 48 and name HN) (resid 51 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 48 and name HN) (resid 49 and name HN) 1.8 0.0 1.7

assign (resid 48 and name HA) (resid 51 and name HB#) 1.8 0.0 3.2

assign (resid 48 and name HA) (resid 51 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 48 and name HA) (resid 51 and name HD#) 1.8 0.0 3.2    !add 201404





!Leu-49

!intra

assign (resid 49 and name HA) (resid 49 and name HN) 1.8 0.0 1.7

assign (resid 49 and name HA) (resid 49 and name HB2) 1.8 0.0 1.7
assign (resid 49 and name HB1) (resid 49 and name HA) 1.8 0.0 1.7

assign (resid 49 and name HG1) (resid 49 and name HB1) 1.8 0.0 1.1
assign (resid 49 and name HG2) (resid 49 and name HB1) 1.8 0.0 1.1
assign (resid 49 and name HG1) (resid 49 and name HB2) 1.8 0.0 1.1
assign (resid 49 and name HG2) (resid 49 and name HB2) 1.8 0.0 1.1

assign (resid 49 and name HG1) (resid 49 and name HA)  1.8 0.0 1.7
assign (resid 49 and name HG2) (resid 49 and name HA)  1.8 0.0 3.2

assign (resid 49 and name HB1) (resid 49 and name HN)  1.8 0.0 1.7
assign (resid 49 and name HN) (resid 49 and name HB2) 1.8 0.0 1.7

assign (resid 49 and name HG1) (resid 49 and name HN)  1.8 0.0 3.2
assign (resid 49 and name HG2) (resid 49 and name HN)  1.8 0.0 3.2

!inter

!!!assign (resid 49 and name HG#) (resid 45 and name HG1#) 1.8 0.0 4.2    !HG2#
!!!assign (resid 49 and name HG#) (resid 45 and name HG2#) 1.8 0.0 4.2

assign (resid 49 and name HN) (resid 47 and name HA) 1.8 0.0 3.2


assign (resid 49 and name HN) (resid 48 and name HA) 1.8 0.0 3.2

assign (resid 49 and name HN) (resid 48 and name HB#) 1.8 0.0 3.2

assign (resid 49 and name HN) (resid 48 and name HD#) 1.8 0.0 3.2



! assign (resid 49 and name HN) (resid 50 and name HB#) 1.8 0.0 3.2
! check 20111102

!!!assign (resid 49 and name HA) (resid 54 and name HB)   1.8 0.0 3.2   ! double emerge


assign (resid 49 and name HA) (resid 54 and name HG1#) 1.8 0.0 4.2

assign (resid 49 and name HA) (resid 54 and name HN) 1.8 0.0 3.2


assign (resid 49 and name HB1) (resid 56 and name HA) 1.8 0.0 3.2
assign (resid 49 and name HB2) (resid 56 and name HA) 1.8 0.0 3.2


assign (resid 49 and name HN) (resid 50 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 49 and name HN) (resid 51 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 49 and name HN) (resid 52 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 49 and name HA) (resid 52 and name HN) 1.8 0.0 3.2    !add 201404






!Asp-50

!intra

assign (resid 50 and name HA) (resid 50 and name HN) 1.8 0.0 1.7


assign (resid 50 and name HB1) (resid 50 and name HN) 1.8 0.0 1.7
assign (resid 50 and name HB2) (resid 50 and name HN) 1.8 0.0 1.7

assign (resid 50 and name HA) (resid 50 and name HB1) 1.8 0.0 1.1   ! double emerge
assign (resid 50 and name HA) (resid 50 and name HB2) 1.8 0.0 1.1

!inter

assign (resid 50 and name HN) (resid 49 and name HB2) 1.8 0.0 3.2
assign (resid 50 and name HN) (resid 49 and name HB1) 1.8 0.0 3.2

assign (resid 50 and name HB2) (resid 51 and name HN) 1.8 0.0 3.2   !double emerge
assign (resid 50 and name HB1) (resid 51 and name HN) 1.8 0.0 1.7

assign (resid 50 and name HA) (resid 51 and name HN) 1.8 0.0 3.2    !add 201404 

assign (resid 50 and name HN) (resid 49 and name HA) 1.8 0.0 3.2    !add 201404 






!Arg-51

!intra

!assign (resid 51 and name HA) (resid 51 and name HB1) 1.8 0.0 1.7
!assign (resid 51 and name HA) (resid 51 and name HB2) 1.8 0.0 1.1

assign (resid 51 and name HA) (resid 51 and name HN)  1.8 0.0 1.7

assign (resid 51 and name HB1) (resid 51 and name HG1) 1.8 0.0 1.7
assign (resid 51 and name HB2) (resid 51 and name HG1) 1.8 0.0 1.7
assign (resid 51 and name HG2) (resid 51 and name HB2) 1.8 0.0 1.7
assign (resid 51 and name HG2) (resid 51 and name HB1) 1.8 0.0 1.7

assign (resid 51 and name HB1) (resid 51 and name HN) 1.8 0.0 1.7
assign (resid 51 and name HB2) (resid 51 and name HN) 1.8 0.0 1.7


assign (resid 51 and name HA)  (resid 51 and name HD1) 1.8 0.0 3.2
assign (resid 51 and name HA)  (resid 51 and name HD2) 1.8 0.0 3.2


assign (resid 51 and name HD1) (resid 51 and name HG1) 1.8 0.0 3.2
assign (resid 51 and name HD2) (resid 51 and name HG1) 1.8 0.0 3.2
assign (resid 51 and name HD1) (resid 51 and name HG2) 1.8 0.0 3.2
assign (resid 51 and name HD2) (resid 51 and name HG1) 1.8 0.0 3.2

assign (resid 51 and name HA)  (resid 51 and name HG1) 1.8 0.0 3.2
assign (resid 51 and name HG2) (resid 51 and name HA)  1.8 0.0 3.2

assign (resid 51 and name HB1) (resid 51 and name HD1) 1.8 0.0 3.2
assign (resid 51 and name HB2) (resid 51 and name HD1) 1.8 0.0 3.2
assign (resid 51 and name HB2) (resid 51 and name HD2) 1.8 0.0 3.2
assign (resid 51 and name HB1) (resid 51 and name HD2) 1.8 0.0 3.2    

assign (resid 51 and name HN) (resid 51 and name HG1) 1.8 0.0 3.2
assign (resid 51 and name HN) (resid 51 and name HG2) 1.8 0.0 3.2

assign (resid 51 and name HE) (resid 51 and name HG1) 1.8 0.0 3.2
assign (resid 51 and name HE) (resid 51 and name HG2) 1.8 0.0 3.2

assign (resid 51 and name HN) (resid 51 and name HD1) 1.8 0.0 4.2
assign (resid 51 and name HN) (resid 51 and name HD2) 1.8 0.0 4.2

assign (resid 51 and name HE) (resid 51 and name HD1) 1.8 0.0 1.7
assign (resid 51 and name HE) (resid 51 and name HD2) 1.8 0.0 1.7


!inter


assign (resid 51 and name HH#) (resid 6 and (name HG1# or name HG2#)) 1.8 0.0 3.5  !Key  
! violated 20110920

assign (resid 51 and name HN) (resid 50 and name HN) 1.8 0.0 1.1

assign (resid 51 and name HN) (resid 50 and name HA) 1.8 0.0 1.7   


assign (resid 51 and name HN) (resid 48 and name HA) 1.8 0.0 3.2


assign (resid 51 and name HN) (resid 52 and name HN) 1.8 0.0 1.1





!Phe-52

!intra

assign (resid 52 and name HB#) (resid 52 and name HA) 1.8 0.0 1.7

assign (resid 52 and name HN)  (resid 52 and name HA)  1.8 0.0 1.7

assign (resid 52 and name HN) (resid 52 and name HB1) 1.8 0.0 1.7
assign (resid 52 and name HN) (resid 52 and name HB2) 1.8 0.0 1.7

!inter

assign (resid 52 and name HN) (resid 48 and name HA) 1.8 0.0 4.2


assign (resid 52 and name HN)  (resid 51 and name HB1) 1.8 0.0 1.7
assign (resid 52 and name HN)  (resid 51 and name HB2) 1.8 0.0 3.2

assign (resid 52 and name HN)  (resid 51 and name HA) 1.8 0.0 3.2


assign (resid 52 and name HN) (resid 53 and name HA#) 1.8 0.0 3.2


assign (resid 52 and name HB1) (resid 54 and name HD1#) 1.8 0.0 3.2
assign (resid 52 and name HB2) (resid 54 and name HD1#) 1.8 0.0 3.2

assign (resid 52 and name HB1) (resid 54 and name HG1#) 1.8 0.0 1.7
assign (resid 52 and name HB2) (resid 54 and name HG1#) 1.8 0.0 3.2
assign (resid 52 and name HB1) (resid 54 and name HG2#) 1.8 0.0 3.2
assign (resid 52 and name HB2) (resid 54 and name HG2#) 1.8 0.0 4.2

assign (resid 52 and name HN) (resid 54 and name HN)  1.8 0.0 1.7


assign (resid 52 and name HB#) (resid 76 and (name HG1# or name HG2#)) 1.8 0.0 4.2  !Key
! violated 20110923


assign (resid 52 and name HB1) (resid 80 and name HG2#) 1.8 0.0 3.2
assign (resid 52 and name HB2) (resid 80 and name HG2#) 1.8 0.0 3.2







!Gly-53

!intra

assign (resid 53 and name HA#) (resid 53 and name HN) 1.8 0.0 1.7

!inter

assign (resid 53 and name HN) (resid 54 and name HA) 1.8 0.0 3.5

assign (resid 53 and name HN) (resid 52 and name HB1) 1.8 0.0 3.2
assign (resid 53 and name HN) (resid 52 and name HB2) 1.8 0.0 3.2

assign (resid 53 and name HN) (resid 51 and name HB#) 1.8 0.0 4.2  !new

assign (resid 53 and name HN) (resid 51 and name HN) 1.8 0.0 3.2






!Ile-54

!intra

assign (resid 54 and name HB) (resid 54 and name HA) 1.8 0.0 1.7

assign (resid 54 and name HA) (resid 54 and name HN) 1.8 0.0 3.2

assign (resid 54 and name HG1#) (resid 54 and name HA) 1.8 0.0 1.7

assign (resid 54 and name HA) (resid 54 and name HG2#) 1.8 0.0 1.7

assign (resid 54 and name HG1#) (resid 54 and name HB) 1.8 0.0 1.7

assign (resid 54 and name HG2#) (resid 54 and name HB) 1.8 0.0 1.1

assign (resid 54 and name HN) (resid 54 and name HG2#)1.8 0.0 3.2

assign (resid 54 and name HG1#) (resid 54 and name HN) 1.8 0.0 1.7

assign (resid 54 and name HB) (resid 54 and name HD1#) 1.8 0.0 1.1

assign (resid 54 and name HB) (resid 54 and name HN) 1.8 0.0 3.2

assign (resid 54 and name HB) (resid 54 and name HG1#) 1.8 0.0 1.1
assign (resid 54 and name HB) (resid 54 and name HG2#) 1.8 0.0 1.1

assign (resid 54 and name HD1#) (resid 54 and name HG1#) 1.8 0.0 1.1

assign (resid 54 and name HN) (resid 54 and name HD1#) 1.8 0.0 1.7

assign (resid 54 and name HD1#) (resid 54 and name HA) 1.8 0.0 2.5

assign (resid 54 and name HG1#) (resid 54 and name HG2#) 1.8 0.0 1.1



!inter

assign (resid 54 and name HD1#) (resid 48 and name HB#) 1.8 0.0 3.2     


assign (resid 54 and name HN)  (resid 49 and name HB#) 1.8 0.0 3.5


assign (resid 54 and name HD1#) (resid 52 and name HB1) 1.8 0.0 1.7
assign (resid 54 and name HD1#) (resid 52 and name HB2) 1.8 0.0 1.7

assign (resid 54 and name HN) (resid 52 and name HB1) 1.8 0.0 3.2
assign (resid 54 and name HN) (resid 52 and name HB2) 1.8 0.0 3.2


assign (resid 54 and name HN) (resid 53 and name HN) 1.8 0.0 1.1


assign (resid 54 and name HA) (resid 55 and name HN) 1.8 0.0 1.1

assign (resid 54 and name HN) (resid 55 and name HN) 1.8 0.0 3.2

assign (resid 54 and name HD#) (resid 76 and name HA) 1.8 0.0 4.2


!!!assign (resid 54 and name HG2#) (resid 88 and name HB#) 1.8 0.0 4.2








!ALa-55

!intra

assign (resid 55 and name HA) (resid 55 and name HB#) 1.8 0.0 1.1

assign (resid 55 and name HA) (resid 55 and name HN)  1.8 0.0 1.7

assign (resid 55 and name HB#) (resid 55 and name HN) 1.8 0.0 1.7

!inter

assign (resid 55 and name HA) (resid 49 and name HB#) 1.8 0.0 3.2      

assign (resid 55 and name HN) (resid 49 and name HB#) 1.8 0.0 3.2      


assign (resid 55 and name HN) (resid 53 and name HA#) 1.8 0.0 4.2     


!!!assign (resid 55 and name HB#) (resid 54 and name HA) 1.8 0.0 3.2

assign (resid 55 and name HN) (resid 54 and name HA)  1.8 0.0 3.2


assign (resid 55 and name HA) (resid 56 and name HN)  1.8 0.0 3.2

assign (resid 55 and name HN) (resid 56 and name HN)  1.8 0.0 4.2

assign (resid 55 and name HN) (resid 56 and name HB#) 1.8 0.0 4.2

assign (resid 55 and name HN) (resid 56 and name HA) 1.8 0.0 4.2







!Ala-56

!intra

assign (resid 56 and name HA) (resid 56 and name HB#) 1.8 0.0 1.1

assign (resid 56 and name HA) (resid 56 and name HN) 1.8 0.0 1.7

assign (resid 56 and name HB#) (resid 56 and name HN) 1.8 0.0 3.2

!inter

assign (resid 56 and name HA) (resid 57 and name HN) 1.8 0.0 1.7

assign (resid 56 and name HN) (resid 45 and name HG2#) 1.8 0.0 3.2





!Asp-57

!intra

assign (resid 57 and name HA) (resid 57 and name HN) 1.8 0.0 1.7

assign (resid 57 and name HA) (resid 57 and name HB1) 1.8 0.0 1.1
assign (resid 57 and name HA) (resid 57 and name HB2) 1.8 0.0 1.1

assign (resid 57 and name HN) (resid 57 and name HB1) 1.8 0.0 3.2
assign (resid 57 and name HN) (resid 57 and name HB2) 1.8 0.0 1.7

!inter

!!!assign (resid 57 and name HA) (resid 58 and name HN)  1.8 0.0 1.7

assign (resid 57 and name HN) (resid 58 and name HN)  1.8 0.0 1.1

assign (resid 57 and name HN) (resid 58 and name HA)  1.8 0.0 4.2

assign (resid 57 and name HN) (resid 58 and name HB#) 1.8 0.0 3.2


assign (resid 57 and name HN) (resid 56 and name HB#) 1.8 0.0 1.7

assign (resid 57 and name HN) (resid 56 and name HN) 1.8 0.0 1.7


assign (resid 57 and name HN) (resid 59 and (name HG1# or name HG2#)) 1.8 0.0 4.5





!Asp-58

!intra

assign (resid 58 and name HB1) (resid 58 and name HA) 1.8 0.0 1.1
assign (resid 58 and name HB2) (resid 58 and name HA) 1.8 0.0 1.1

assign (resid 58 and name HA) (resid 58 and name HN)  1.8 0.0 1.7

assign (resid 58 and name HB#) (resid 58 and name HN) 1.8 0.0 1.7

!inter

assign (resid 58 and name HN) (resid 56 and name HB#) 1.8 0.0 3.2

assign (resid 58 and name HN) (resid 57 and name HB#) 1.8 0.0 3.2


assign (resid 58 and name HN) (resid 59 and (name HG1# or name HG2#)) 1.8 0.0 3.2







!Val-59

!intra

assign (resid 59 and name HA) (resid 59 and name HB)  1.8 0.0 1.1

assign (resid 59 and name HA) (resid 59 and (name HG1# or name HG2#)) 1.8 0.0 1.7

assign (resid 59 and name HB) (resid 59 and (name HG1# or name HG2#)) 1.8 0.0 1.1
 
assign (resid 59 and name HB) (resid 59 and name HN)  1.8 0.0 3.2

assign (resid 59 and name HA) (resid 59 and name HN)  1.8 0.0 1.7

assign (resid 59 and name HN) (resid 59 and (name HG1# or name HG2#)) 1.8 0.0 1.7

!inter

assign (resid 59 and name HA) (resid 60 and name HN) 1.8 0.0 1.7

assign (resid 59 and name HB) (resid 60 and name HN) 1.8 0.0 3.2

assign (resid 59 and name HN) (resid 60 and name HN) 1.8 0.0 3.2


assign (resid 59 and name HN) (resid 58 and name HA) 1.8 0.0 1.7

assign (resid 59 and name HN) (resid 58 and name HB#) 1.8 0.0 3.2









!Gln-60

!intra

assign (resid 60 and name HA) (resid 60 and name HN) 1.8 0.0 1.7   ! strength unsure

assign (resid 60 and name HA) (resid 60 and name HG2) 1.8 0.0 1.7  ! double emerge
assign (resid 60 and name HA) (resid 60 and name HG1) 1.8 0.0 1.7  ! Manual add

assign (resid 60 and name HB1) (resid 60 and name HA) 1.8 0.0 1.7
assign (resid 60 and name HB2) (resid 60 and name HA) 1.8 0.0 1.7

assign (resid 60 and name HB1) (resid 60 and name HN) 1.8 0.0 3.2
assign (resid 60 and name HB2) (resid 60 and name HN) 1.8 0.0 3.2

assign (resid 60 and name HB1) (resid 60 and name HG1) 1.8 0.0 1.1
assign (resid 60 and name HB2) (resid 60 and name HG1) 1.8 0.0 1.1
assign (resid 60 and name HB1) (resid 60 and name HG2) 1.8 0.0 1.1
assign (resid 60 and name HB2) (resid 60 and name HG2) 1.8 0.0 1.1

assign (resid 60 and name HN) (resid 60 and name HG#) 1.8 0.0  3.2

!inter

assign (resid 60 and name HN) (resid 59 and (name HG1# or name HG2#)) 1.8 0.0 1.7


assign (resid 60 and name HA) (resid 61 and name HN) 1.8 0.0 1.7

assign (resid 60 and name HG2) (resid 61 and name HD#) 1.8 0.0 3.2
assign (resid 60 and name HG1) (resid 61 and name HD#) 1.8 0.0 3.2

assign (resid 60 and name HN) (resid 61 and name HN)   1.8 0.0 3.2

!!!assign (resid 60 and name HN) (resid 75 and name HA)   1.8 0.0 3.2   ! notproper
!seriously violated 






!Leu-61

!intra

assign (resid 61 and name HA) (resid 61 and name HN) 1.8 0.0 1.1

assign (resid 61 and name HA) (resid 61 and name HB1) 1.8 0.0 1.7
assign (resid 61 and name HA) (resid 61 and name HB2) 1.8 0.0 1.7

assign (resid 61 and name HB1) (resid 61 and name HG) 1.8 0.0 1.1
assign (resid 61 and name HB2) (resid 61 and name HG) 1.8 0.0 1.1

assign (resid 61 and name HB1) (resid 61 and name HN) 1.8 0.0 3.2
assign (resid 61 and name HB2) (resid 61 and name HN) 1.8 0.0 3.2

assign (resid 61 and name HD2#) (resid 61 and name HA) 1.8 0.0 3.2
assign (resid 61 and name HD1#) (resid 61 and name HA) 1.8 0.0 3.2

assign (resid 61 and name HD1#) (resid 61 and name HB1) 1.8 0.0 1.7
assign (resid 61 and name HD1#) (resid 61 and name HB2) 1.8 0.0 1.7
assign (resid 61 and name HD2#) (resid 61 and name HB1) 1.8 0.0 1.7
assign (resid 61 and name HD2#) (resid 61 and name HB2) 1.8 0.0 1.7

assign (resid 61 and name HG) (resid 61 and name HA) 1.8 0.0 3.2


assign (resid 61 and name HG) (resid 61 and name HN) 1.8 0.0 3.2

assign (resid 61 and name HD1#) (resid 61 and name HG) 1.8 0.0 1.1
assign (resid 61 and name HD2#) (resid 61 and name HG) 1.8 0.0 1.1   

assign (resid 61 and name HN) (resid 61 and name HD#) 1.8 0.0 3.2

!inter

!!!assign (resid 61 and name HB#) (resid 62 and name HB#) 1.8 0.0 3.2   ! L61HB2  S62HB2

assign (resid 61 and name HN) (resid 62 and name HN) 1.8 0.0 3.2

assign (resid 61 and name HN) (resid 60 and name HB#) 1.8 0.0 3.2







!Ser-62

!intra

assign (resid 62 and name HB1) (resid 62 and name HA) 1.8 0.0 1.1
assign (resid 62 and name HB2) (resid 62 and name HA) 1.8 0.0 1.1

assign (resid 62 and name HN) (resid 62 and name HA) 1.8 0.0 1.1

assign (resid 62 and name HB1) (resid 62 and name HN) 1.8 0.0 1.7
assign (resid 62 and name HB2) (resid 62 and name HN) 1.8 0.0 1.7

!inter


assign (resid 62 and name HN) (resid 61 and name HA) 1.8 0.0 1.7

assign (resid 62 and name HN) (resid 61 and name HB1) 1.8 0.0 3.2
assign (resid 62 and name HN) (resid 61 and name HB2) 1.8 0.0 3.2

assign (resid 62 and name HN) (resid 61 and name HD#) 1.8 0.0 3.2


!!!assign (resid 62 and name HN) (resid 63 and name HG#) 1.8 0.0 4.2

assign (resid 62 and name HN) (resid 66 and name HZ) 1.8 0.0 4.2

assign (resid 62 and name HB1) (resid 65 and name HN) 1.8 0.0 4.2    !add 201408
assign (resid 62 and name HB2) (resid 65 and name HN) 1.8 0.0 4.2    !add 201408




!Pro-63

!intra

assign (resid 63 and name HA) (resid 63 and name HB1) 1.8 0.0 1.1  
! overlap with other signal
assign (resid 63 and name HA) (resid 63 and name HB2) 1.8 0.0 1.1

assign (resid 63 and name HB1) (resid 63 and name HD#) 1.8 0.0 1.7
assign (resid 63 and name HB2) (resid 63 and name HD#) 1.8 0.0 1.7

assign (resid 63 and name HG1) (resid 63 and name HA) 1.8 0.0 3.2
assign (resid 63 and name HG2) (resid 63 and name HA) 1.8 0.0 3.2

assign (resid 63 and name HG#) (resid 63 and name HB#)  1.8 0.0 1.1  
! overlap with other signal

assign (resid 63 and name HG#) (resid 63 and name HD#) 1.8 0.0 1.1   
! overlap with other signal

!inter

assign (resid 63 and name HA) (resid 41 and (name HD1# or name HD2#)) 1.8 0.0 4.2 
! ?unsure


assign (resid 63 and name HD#) (resid 62 and name HA)  1.8 0.0 1.7

assign (resid 63 and name HA) (resid 64 and name HN)  1.8 0.0 3.2    !add 201404 

assign (resid 63 and name HA) (resid 65 and name HN)  1.8 0.0 3.2    !add 201404 

assign (resid 63 and name HA) (resid 66 and name HB1)  1.8 0.0 3.2    !add 201404 
assign (resid 63 and name HA) (resid 66 and name HB2)  1.8 0.0 3.2    !add 201404 

assign (resid 63 and name HA) (resid 66 and name HN)  1.8 0.0 3.2    !add 201404 




!Glu-64

!intra

assign (resid 64 and name HA) (resid 64 and name HN) 1.8 0.0 1.7

assign (resid 64 and name HB1) (resid 64 and name HA) 1.8 0.0 1.1
assign (resid 64 and name HB2) (resid 64 and name HA) 1.8 0.0 1.1

assign (resid 64 and name HG1) (resid 64 and name HA) 1.8 0.0 1.7
assign (resid 64 and name HG2) (resid 64 and name HA) 1.8 0.0 1.7

assign (resid 64 and name HG1) (resid 64 and name HB1) 1.8 0.0 1.1
assign (resid 64 and name HG2) (resid 64 and name HB1) 1.8 0.0 1.1
assign (resid 64 and name HG1) (resid 64 and name HB2) 1.8 0.0 1.1
assign (resid 64 and name HG2) (resid 64 and name HB2) 1.8 0.0 1.1

assign (resid 64 and name HB1) (resid 64 and name HN) 1.8 0.0 3.2
assign (resid 64 and name HB2) (resid 64 and name HN) 1.8 0.0 3.2

assign (resid 64 and name HG1) (resid 64 and name HN) 1.8 0.0 3.2
assign (resid 64 and name HG2) (resid 64 and name HN) 1.8 0.0 3.2

!inter

assign (resid 64 and name HN) (resid 62 and name HA)  1.8 0.0 2.5

assign (resid 64 and name HN) (resid 62 and name HB1) 1.8 0.0 3.2
assign (resid 64 and name HN) (resid 62 and name HB2) 1.8 0.0 3.2

assign (resid 64 and name HN) (resid 62 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 64 and name HN) (resid 63 and name HB#) 1.8 0.0 1.7

assign (resid 64 and name HN) (resid 63 and name HA) 1.8 0.0 1.7

assign (resid 64 and name HN) (resid 66 and name HD#) 1.8 0.0 3.2    !add 201404

assign (resid 64 and name HN) (resid 65 and name HA) 1.8 0.0 4.2

assign (resid 64 and name HN) (resid 65 and name HN) 1.8 0.0 3.2

assign (resid 64 and name HA) (resid 67 and name HD#) 1.8 0.0 3.2  

assign (resid 64 and name HA) (resid 67 and name HB1) 1.8 0.0 3.2    !add 201404 
assign (resid 64 and name HA) (resid 67 and name HB2) 1.8 0.0 3.2    !add 201404  

assign (resid 64 and name HA) (resid 65 and name HN) 1.8 0.0 3.2    !add 201404 

assign (resid 64 and name HA) (resid 66 and name HN) 1.8 0.0 3.2    !add 201404 






!His-65

!intra

assign (resid 65 and name HA)  (resid 65 and name HN) 1.8 0.0 1.1

assign (resid 65 and name HB1) (resid 65 and name HA) 1.8 0.0 1.7
assign (resid 65 and name HB2) (resid 65 and name HA) 1.8 0.0 1.7

assign (resid 65 and name HB2) (resid 65 and name HN) 1.8 0.0 1.7   ! may 3.2
assign (resid 65 and name HB1) (resid 65 and name HN) 1.8 0.0 1.7

assign (resid 65 and name HN)  (resid 65 and name HD#) 1.8 0.0 3.2

!!assign (resid 65 and name HN)  (resid 65 and name HE#) 1.8 0.0 4.2

!inter

assign (resid 65 and name HN) (resid 64 and name HA) 1.8 0.0 1.7


!!assign (resid 65 and name HB#) (resid 67 and name HD1) 1.8 0.0 3.2   !HB2
!!assign (resid 65 and name HB#) (resid 67 and name HD2) 1.8 0.0 3.2   !HB2









!Phe-66

!intra

assign (resid 66 and name HN)  (resid 66 and name HA) 1.8 0.0 1.7

assign (resid 66 and name HB1) (resid 66 and name HA)  1.8 0.0 1.7
assign (resid 66 and name HB2) (resid 66 and name HA)  1.8 0.0 1.7

assign (resid 66 and name HN) (resid 66 and name HB1) 1.8 0.0 3.2
assign (resid 66 and name HN) (resid 66 and name HB2) 1.8 0.0 3.2

!inter

assign (resid 66 and name HB2) (resid 30 and (name HD1# or name HD2#)) 1.8 0.0 4.2
assign (resid 66 and name HB1) (resid 30 and (name HD1# or name HD2#)) 1.8 0.0 4.2


assign (resid 66 and name HB#) (resid 31 and (name HG1# or name HG2#)) 1.8 0.0 3.2


assign (resid 66 and name HN)  (resid 64 and name HA)  1.8 0.0 3.2


assign (resid 66 and name HN)  (resid 65 and name HA) 1.8 0.0 1.7

assign (resid 66 and name HN)  (resid 65 and name HB#) 1.8 0.0 2.5


assign (resid 66 and name HN)  (resid 67 and name HN) 1.8 0.0 1.7







!Arg-67

!intra

assign (resid 67 and name HA)  (resid 67 and name HN) 1.8 0.0  1.7

assign (resid 67 and name HB1) (resid 67 and name HG1) 1.8 0.0 1.1
assign (resid 67 and name HB2) (resid 67 and name HG1) 1.8 0.0 1.1
assign (resid 67 and name HG2) (resid 67 and name HB1) 1.8 0.0 1.1
assign (resid 67 and name HG2) (resid 67 and name HB2) 1.8 0.0 1.1

assign (resid 67 and name HD#) (resid 67 and name HB1) 1.8 0.0 1.7
assign (resid 67 and name HB2) (resid 67 and name HD#) 1.8 0.0 1.7

assign (resid 67 and name HA) (resid 67 and name HG1) 1.8 0.0 3.2
assign (resid 67 and name HA) (resid 67 and name HG2) 1.8 0.0 3.2

assign (resid 67 and name HA) (resid 67 and name HN) 1.8 0.0 1.7

assign (resid 67 and name HB1) (resid 67 and name HA) 1.8 0.0 1.7
assign (resid 67 and name HB2) (resid 67 and name HA) 1.8 0.0 1.7

assign (resid 67 and name HG1) (resid 67 and name HD#) 1.8 0.0 1.7
assign (resid 67 and name HG2) (resid 67 and name HD#) 1.8 0.0 1.7

assign (resid 67 and name HA)  (resid 67 and name HD#) 1.8 0.0 3.2

assign (resid 67 and name HB1) (resid 67 and name HN) 1.8 0.0 3.2
assign (resid 67 and name HB2) (resid 67 and name HN) 1.8 0.0 3.2

assign (resid 67 and name HN)  (resid 67 and name HD#) 1.8 0.0 3.2

assign (resid 67 and name HN)  (resid 67 and name HG#) 1.8 0.0 3.2

assign (resid 67 and name HE) (resid 67 and name HD#) 1.8 0.0 1.1

assign (resid 67 and name HE) (resid 67 and name HB1) 1.8 0.0 4.2
assign (resid 67 and name HE) (resid 67 and name HB2) 1.8 0.0 4.2

assign (resid 67 and name HE) (resid 67 and name HG#) 1.8 0.0 3.2

!assign (resid 67 and name HE) (resid 67 and name HN) 1.8 0.0 3.2


!inter

assign (resid 67 and name HA)  (resid 31 and (name HG1# or name HG2#))  1.8 0.0 3.2

assign (resid 67 and name HN)  (resid 31 and (name HG1# or name HG2#))  1.8 0.0 4.2

assign (resid 67 and name HD#) (resid 31 and (name HG1# or name HG2#)) 1.8 0.0 4.2


!assign (resid 67 and name HD#) (resid 64 and name HA) 1.8 0.0 3.2

!!!assign (resid 67 and name HG#) (resid 64 and name HA) 1.8 0.0 4.2   
! violated 20110923

assign (resid 67 and name HN)  (resid 64 and name HA) 1.8 0.0 3.2


!!!assign (resid 67 and name HD#) (resid 66 and name HA) 1.8 0.0 3.2

assign (resid 67 and name HN)  (resid 66 and name HA) 1.8 0.0 1.7


assign (resid 67 and name HA)  (resid 68 and name HN) 1.8 0.0 3.2

assign (resid 67 and name HD#) (resid 68 and name HN) 1.8 0.0 3.2

assign (resid 67 and name HN)  (resid 68 and name HN) 1.8 0.0 3.2

assign (resid 67 and name HN)  (resid 31 and name HG#) 1.8 0.0 4.2

!!!assign (resid 67 and name HG#) (resid 69 and name HD1#) 1.8 0.0 4.2
! violated 20110920







!Ser-68

!intra

assign (resid 68 and name HB1) (resid 68 and name HA) 1.8 0.0 1.7
assign (resid 68 and name HB2) (resid 68 and name HA) 1.8 0.0 1.7

assign (resid 68 and name HN) (resid 68 and name HA)  1.8 0.0 1.7

assign (resid 68 and name HN) (resid 68 and name HB1) 1.8 0.0 3.2
assign (resid 68 and name HN) (resid 68 and name HB2) 1.8 0.0 3.2

!inter

assign (resid 68 and name HB1) (resid 29 and name HA) 1.8 0.0 3.2  
assign (resid 68 and name HB2) (resid 29 and name HA) 1.8 0.0 3.2


assign (resid 68 and name HN) ( (resid 30 and name HN) or (resid 69 and name HN)) 1.8 0.0 3.2



assign (resid 68 and name HN)  (resid 67 and name HB1) 1.8 0.0 3.2
assign (resid 68 and name HN)  (resid 67 and name HB2) 1.8 0.0 3.2

assign (resid 68 and name HN)  (resid 67 and name HG#) 1.8 0.0 3.2   ! HG1 sure


assign (resid 68 and name HB1) (resid 69 and name HN) 1.8 0.0 3.2
assign (resid 68 and name HB2) (resid 69 and name HN) 1.8 0.0 3.2


assign (resid 68 and name HN)  (resid 71 and name HN)  1.8 0.0 3.2


assign (resid 68 and name HN)  (resid 72 and name HD1#) 1.8 0.0 3.2

assign (resid 68 and name HN)  (resid 72 and name HG1#) 1.8 0.0 3.2


assign (resid 68 and name HN)  (resid 72 and name HN)   1.8 0.0 3.2






!Ile-69

!intra

assign (resid 69 and name HB) (resid 69 and name HD1#)  1.8 0.0 1.7

assign (resid 69 and name HB) (resid 69 and name HA)   1.8 0.0 1.7

assign (resid 69 and name HB) (resid 69 and name HN)   1.8 0.0 1.7

assign (resid 69 and name HG11) (resid 69 and name HA) 1.8 0.0 2.5
assign (resid 69 and name HG12) (resid 69 and name HA) 1.8 0.0 2.5

assign (resid 69 and name HN) (resid 69 and name HA)    1.8 0.0 1.7

assign (resid 69 and name HB) (resid 69 and name HG2#)  1.8 0.0 1.1

assign (resid 69 and name HG11) (resid 69 and name HB)  1.8 0.0 1.1
assign (resid 69 and name HG12) (resid 69 and name HB)  1.8 0.0 1.1

assign (resid 69 and name HG11) (resid 69 and name HD1#) 1.8 0.0 1.1   ! May 1.7
assign (resid 69 and name HG12) (resid 69 and name HD1#) 1.8 0.0 1.1

assign (resid 69 and name HG11) (resid 69 and name HG2#) 1.8 0.0 1.1
assign (resid 69 and name HG12) (resid 69 and name HG2#) 1.8 0.0 1.1

assign (resid 69 and name HG2#) (resid 69 and name HA) 1.8 0.0 1.1

assign (resid 69 and name HG2#) (resid 69 and name HB) 1.8 0.0 1.1

assign (resid 69 and name HD1#) (resid 69 and name HA)  1.8 0.0 3.2

assign (resid 69 and name HN) (resid 69 and name HD1#)  1.8 0.0 3.2

assign (resid 69 and name HN) (resid 69 and name HG11) 1.8 0.0 1.7
assign (resid 69 and name HN) (resid 69 and name HG12) 1.8 0.0 3.2

assign (resid 69 and name HN) (resid 69 and name HG2#) 1.8 0.0 1.7

!inter

assign (resid 69 and name HD1#) (resid 8 and name HA)   1.8 0.0 3.2

assign (resid 69 and name HD1#) (resid 8 and name HB#)  1.8 0.0 4.2    !Key
! violated 20110920


assign (resid 69 and name HG2#) (resid 8 and name HA)  1.8 0.0 4.2


assign (resid 69 and name HG1#) ((resid 24 and (name HG1# or name HG2#) or resid 72 and name HD1#)) 1.8 0.0 3.2  


assign (resid 69 and name HB) (resid 26 and (name HG1# or name HG2#))  1.8 0.0 3.2

assign (resid 69 and name HN) (resid 26 and name HA) 1.8 0.0 4.2  !Key
! violated 20110924


assign (resid 69 and name HD1#) (resid 26 and name HB)  1.8 0.0 3.2

assign (resid 69 and name HD1#) (resid 26 and name HA)  1.8 0.0 3.2    

assign (resid 69 and name HG2#) (resid 26 and name HA) 1.8 0.0 3.2

assign (resid 69 and name HG2#) (resid 26 and name HB) 1.8 0.0 3.2



assign (resid 69 and name HN) (resid 68 and name HA)   1.8 0.0 1.7

assign (resid 69 and name HN) (resid 68 and name HB#)  1.8 0.0 3.2

assign (resid 69 and name HN) (resid 68 and name HN)   1.8 0.0 3.2   !add 201404

assign (resid 69 and name HA)  (resid 72 and name HD1#) 1.8 0.0 3.2

assign (resid 69 and name HA) (resid 72 and name HN)  1.8 0.0 4.2   !add 201404

assign (resid 69 and name HA) (resid 73 and name HN)  1.8 0.0 4.2   !add 201404

assign (resid 69 and name HN) (resid 70 and name HN)   1.8 0.0 1.7







!Arg-70

!intra

assign (resid 70 and name HA) (resid 70 and name HG1) 1.8 0.0 3.2
assign (resid 70 and name HG2) (resid 70 and name HA) 1.8 0.0 1.7

assign (resid 70 and name HA) (resid 70 and name HN)  1.8 0.0 1.7

assign (resid 70 and name HB2) (resid 70 and name HN) 1.8 0.0 3.2
assign (resid 70 and name HB1) (resid 70 and name HN) 1.8 0.0 3.2

assign (resid 70 and name HB1) (resid 70 and name HA) 1.8 0.0 1.7
assign (resid 70 and name HB2) (resid 70 and name HA) 1.8 0.0 1.7

assign (resid 70 and name HB#) (resid 70 and name HG#) 1.8 0.0 1.7

assign (resid 70 and name HD#) (resid 70 and name HN) 1.8 0.0 3.2

assign (resid 70 and name HD1) (resid 70 and name HB#) 1.8 0.0 3.2
assign (resid 70 and name HD2) (resid 70 and name HB#) 1.8 0.0 3.2

assign (resid 70 and name HD1) (resid 70 and name HG2) 1.8 0.0 1.7
assign (resid 70 and name HD2) (resid 70 and name HG2) 1.8 0.0 1.7

assign (resid 70 and name HE) (resid 70 and name HD1) 1.8 0.0 1.1
assign (resid 70 and name HE) (resid 70 and name HD2) 1.8 0.0 1.1

assign (resid 70 and name HE) (resid 70 and name HB#) 1.8 0.0 3.2

assign (resid 70 and name HE) (resid 70 and name HG#) 1.8 0.0 1.7

assign (resid 70 and name HE) (resid 70 and name HN)  1.8 0.0 3.2

!inter


!!!assign (resid 70 and name HD1) (resid 29 and name HA) 1.8 0.0 3.2
!!!assign (resid 70 and name HD2) (resid 29 and name HA) 1.8 0.0 3.2


assign (resid 70 and name HA) (resid 69 and name HG1#) 1.8 0.0 4.2

assign (resid 70 and name HA) (resid 71 and name HN) 1.8 0.0 3.2  
!overlap with other signal

assign (resid 70 and name HA) (resid 73 and name HB1) 1.8 0.0 3.2
assign (resid 70 and name HA) (resid 73 and name HB2) 1.8 0.0 3.2


assign (resid 70 and name HN) (resid 69 and name HA)   1.8 0.0 3.2

assign (resid 70 and name HN) (resid 69 and name HG2#) 1.8 0.0 3.2

assign (resid 70 and name HN) (resid 71 and name HN) 1.8 0.0 1.7

assign (resid 70 and name HN) (resid 71 and name HA) 1.8 0.0 4.2
! need checking 20110920

assign (resid 70 and name HA) (resid 72 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 70 and name HA) (resid 73 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 70 and name HN) (resid 73 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 70 and name HN) (resid 72 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 70 and name HN) (resid 73 and name HN) 1.8 0.0 3.2   !add 201404





!Ser-71

!intra

assign (resid 71 and name HA) (resid 71 and name HB#) 1.8 0.0 1.1

assign (resid 71 and name HN) (resid 71 and name HA)  1.8 0.0 1.7

assign (resid 71 and name HN) (resid 71 and name HB1) 1.8 0.0 1.7
assign (resid 71 and name HN) (resid 71 and name HB2) 1.8 0.0 1.7

!inter

assign (resid 71 and name HN) (resid 70 and name HE) 1.8 0.0 3.2    !add 201404

assign (resid 71 and name HN) (resid 72 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 71 and name HN) (resid 73 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 71 and name HA) (resid 74 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 71 and name HN) (resid 74 and name HN) 1.8 0.0 3.2    !add 201404

assign (resid 71 and name HA) (resid 74 and name HB#) 1.8 0.0 3.2    !add 201404




!Ile-72

!intra

assign (resid 72 and name HB) (resid 72 and name HD1#) 1.8 0.0 1.1

assign (resid 72 and name HB) (resid 72 and name HG2#) 1.8 0.0 1.1

assign (resid 72 and name HB) (resid 72 and name HA) 1.8 0.0 1.7

assign (resid 72 and name HD1#) (resid 72 and name HG11) 1.8 0.0 1.1
assign (resid 72 and name HD1#) (resid 72 and name HG12) 1.8 0.0 1.1

assign (resid 72 and name HD1#) (resid 72 and name HG2#) 1.8 0.0 1.1

assign (resid 72 and name HG2#) (resid 72 and name HA) 1.8 0.0 1.1

assign (resid 72 and name HG2#) (resid 72 and name HD1#) 1.8 0.0 1.1

assign (resid 72 and name HG2#) (resid 72 and name HG1#) 1.8 0.0 1.1

assign (resid 72 and name HD1#) (resid 72 and name HA) 1.8 0.0 3.2

assign (resid 72 and name HG11) (resid 72 and name HA) 1.8 0.0 3.2
assign (resid 72 and name HG12) (resid 72 and name HA) 1.8 0.0 1.7

assign (resid 72 and name HB) (resid 72 and name HG11) 1.8 0.0 1.7    
assign (resid 72 and name HB) (resid 72 and name HG12) 1.8 0.0 1.7

assign (resid 72 and name HB) (resid 72 and name HN)   1.8 0.0 1.7

assign (resid 72 and name HN) (resid 72 and name HG2#) 1.8 0.0 1.7

assign (resid 72 and name HN) (resid 72 and name HG1#) 1.8 0.0 1.1

assign (resid 72 and name HN) (resid 72 and name HD1#) 1.8 0.0 1.7


!inter

assign (resid 72 and name HN) (resid 71 and name HN) 1.8 0.0 1.7

assign (resid 72 and name HN) (resid 71 and name HA) 1.8 0.0 3.2

assign (resid 72 and name HD1#) (resid 65 and name HE2) 1.8 0.0 4.2


!!!assign (resid 72 and name HD1#) (resid 66 and name HB#) 1.8 0.0 4.2      

! assign (resid 72 and name HN)  (resid 67 and name HA) 1.8 0.0 4.2


assign (resid 72 and name HD1#) (resid 69 and name HA) 1.8 0.0 3.2

assign (resid 72 and name HB)  (resid 69 and name HA) 1.8 0.0 3.2

assign (resid 72 and name HN)  (resid 69 and name HA) 1.8 0.0 3.2  


assign (resid 72 and name HN)  (resid 73 and name HB#) 1.8 0.0 3.2

assign (resid 72 and name HN)  (resid 73 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 72 and name HN)  (resid 74 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 72 and name HN)  (resid 75 and name HN) 1.8 0.0 3.2   !add 201404










!Asp-73


!intra

assign (resid 73 and name HA)  (resid 73 and name HB1) 1.8 0.0 1.7
assign (resid 73 and name HA)  (resid 73 and name HB2) 1.8 0.0 1.7

assign (resid 73 and name HA)  (resid 73 and name HN) 1.8 0.0 1.7

assign (resid 73 and name HB1) (resid 73 and name HA) 1.8 0.0 1.7
assign (resid 73 and name HB2) (resid 73 and name HA) 1.8 0.0 1.7

assign (resid 73 and name HN) (resid 73 and name HB1) 1.8 0.0 1.7
assign (resid 73 and name HN) (resid 73 and name HB2) 1.8 0.0 1.7

!inter

assign (resid 73 and name HA) (resid 7 and name HD1#) 1.8 0.0 3.2

!assign (resid 73 and name HB1) (resid 7 and name HD1#) 1.8 0.0 1.7  ! repeated
!assign (resid 73 and name HB2) (resid 7 and name HD1#) 1.8 0.0 1.7


assign (resid 73 and name HB#) (resid 74 and name HN) 1.8 0.0 3.2   ! HB2

assign (resid 73 and name HN) (resid 74 and name HB#) 1.8 0.0 3.2

assign (resid 73 and name HA) (resid 72 and name HG1#) 1.8 0.0 4.2   !HG11

assign (resid 73 and name HN) (resid 72 and name HD1#) 1.8 0.0 3.2

assign (resid 73 and name HN) (resid 72 and name HG2#) 1.8 0.0 3.2

assign (resid 73 and name HN) (resid 72 and name HB) 1.8 0.0 1.7

assign (resid 73 and name HA)  (resid 74 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 73 and name HA)  (resid 76 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 73 and name HA)  (resid 76 and name HB) 1.8 0.0 3.2   !add 201404

assign (resid 73 and name HB#)  (resid 74 and name HB#) 1.8 0.0 3.2   !add 201404


!Ala-74

!intra

assign (resid 74 and name HA) (resid 74 and name HB#) 1.8 0.0 1.1

assign (resid 74 and name HB#) (resid 74 and name HN) 1.8 0.0 1.1

assign (resid 74 and name HN) (resid 74 and name HA) 1.8 0.0 1.1

!inter

!assign (resid 74 and name HN) (resid 73 and name HB2) 1.8 0.0 3.2
!assign (resid 74 and name HN) (resid 73 and name HB1) 1.8 0.0 3.2
! 20110919

assign (resid 74 and name HN) (resid 73 and name HN) 1.8 0.0 3.2


!assign (resid 74 and name HA) (resid 77 and name HB) 1.8 0.0 1.7

!assign (resid 74 and name HA) (resid 77 and (name HG1# or name HG2#)) 1.8 0.0 1.7   ! HG2#


!assign (resid 74 and name HB#) (resid 75 and name HN) 1.8 0.0 1.7

!assign (resid 74 and name HN)  (resid 75 and name HN) 1.8 0.0 1.7

!assign (resid 74 and name HN) (resid 75 and name HB1) 1.8 0.0 3.2
!assign (resid 74 and name HN) (resid 75 and name HB2) 1.8 0.0 4.2

assign (resid 74 and name HA) (resid 77 and name HB) 1.8 0.0 3.2   !add 201404

assign (resid 74 and name HB#) (resid 72 and name HA) 1.8 0.0 3.2   !add 201404

assign (resid 74 and name HN) (resid 77 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 74 and name HN) (resid 76 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 74 and name HN) (resid 78 and name HN) 1.8 0.0 4.2   !add 201404



!Phe-75

!intra

assign (resid 75 and name HA)  (resid 75 and name HB1) 1.8 0.0 1.1    ! may 1.7
assign (resid 75 and name HA)  (resid 75 and name HB2) 1.8 0.0 1.7

assign (resid 75 and name HA)  (resid 75 and name HN)  1.8 0.0 1.7

assign (resid 75 and name HB1) (resid 75 and name HN) 1.8 0.0 1.7
assign (resid 75 and name HB2) (resid 75 and name HN) 1.8 0.0 1.7

!inter

assign (resid 75 and name HB2) (resid 72 and name HA)  1.8 0.0 3.2
assign (resid 75 and name HB1) (resid 72 and name HA)  1.8 0.0 3.2

assign (resid 75 and name HN) (resid 72 and name HA)   1.8 0.0 1.7

assign (resid 75 and name HN) (resid 72 and name HG2#) 1.8 0.0 3.2


assign (resid 75 and name HN) (resid 74 and name HA)   1.8 0.0 1.7

assign (resid 75 and name HN) (resid 74 and name HB#)  1.8 0.0 1.7

assign (resid 75 and name HN) (resid 73 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 75 and name HN) (resid 78 and name HN) 1.8 0.0 3.2   !add 201404






!Val-76

!intra

assign (resid 76 and name HA) (resid 76 and name HB)   1.8 0.0 1.7

assign (resid 76 and name HA) (resid 76 and name HG1#) 1.8 0.0 1.7
assign (resid 76 and name HA) (resid 76 and name HG2#) 1.8 0.0 1.7

assign (resid 76 and name HB) (resid 76 and name HG1#) 1.8 0.0 1.1
assign (resid 76 and name HB) (resid 76 and name HG2#) 1.8 0.0 1.1

assign (resid 76 and name HN) (resid 76 and name HA) 1.8 0.0 1.7

assign (resid 76 and name HB) (resid 76 and name HN) 1.8 0.0 1.7

assign (resid 76 and name HN) (resid 76 and name HG2#) 1.8 0.0 1.1
assign (resid 76 and name HN) (resid 76 and name HG1#) 1.8 0.0 1.7

!inter

assign (resid 76 and name HN) (resid 65 and name HE1) 1.8 0.0 3.2

assign (resid 76 and name HN) (resid 75 and name HA) 1.8 0.0 2.5

assign (resid 76 and name HN) (resid 75 and name HB1) 1.8 0.0 2.5
assign (resid 76 and name HN) (resid 75 and name HB2) 1.8 0.0 2.5


assign (resid 76 and name HN) (resid 77 and name HG#) 1.8 0.0 3.2    ! HG2#

assign (resid 76 and name HN) (resid 78 and name HN) 1.8 0.0 3.2



assign (resid 76 and name HA) (resid 79 and name HB#) 1.8 0.0 4.2    



assign (resid 76 and name HB) (resid 77 and name HG#) 1.8 0.0 3.2    

assign (resid 76 and name HB) (resid 77 and name HN) 1.8 0.0 2.5    



assign (resid 76 and (name HG1# or name HG2#)) (resid 80 and name HG#)  1.8 0.0 3.2


!!!assign (resid 76 and name HG2#) (resid 48 and name HD#) 1.8 0.0 4.2   ! HD1#
!!!assign (resid 76 and name HG1#) (resid 48 and name HD#) 1.8 0.0 4.2



assign (resid 76 and (name HG1# or name HG2#)) (resid 77 and name HA) 1.8 0.0 3.2    

assign (resid 76 and (name HG1# or name HG2#)) (resid 75 and name HB2)  1.8 0.0 3.2  
assign (resid 76 and (name HG1# or name HG2#)) (resid 75 and name HB1)  1.8 0.0 3.2


assign (resid 76 and (name HG1# or name HG2#)) (resid 77 and name HG#) 1.8 0.0 1.7

!assign (resid 76 and (name HG1# or name HG2#)) (resid 77 and (name HG1# or name HG2#)) 1.8 0.0 3.2    

assign (resid 76 and name HN) (resid 77 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 76 and name HA) (resid 77 and name HN) 1.8 0.0 3.2   !add 201404
 



!Val-77

!intra

assign (resid 77 and name HA) (resid 77 and name HB) 1.8 0.0 1.7

assign (resid 77 and name HA) (resid 77 and name HN) 1.8 0.0 1.7

assign (resid 77 and name HA) (resid 77 and name HG1#) 1.8 0.0 1.7
assign (resid 77 and name HA) (resid 77 and name HG2#) 1.8 0.0 1.7

assign (resid 77 and name HB) (resid 77 and name HN) 1.8 0.0 1.7

assign (resid 77 and name HG1#) (resid 77 and name HN) 1.8 0.0 1.7
assign (resid 77 and name HN) (resid 77 and name HG2#) 1.8 0.0 1.7


assign (resid 77 and name HB) (resid 77 and name HG1#) 1.8 0.0 1.1
assign (resid 77 and name HB) (resid 77 and name HG2#) 1.8 0.0 1.1




!inter

assign (resid 77 and name HG2#) (resid 2 and name HB#) 1.8 0.0 1.7


assign (resid 77 and name HN) (resid 74 and name HA) 1.8 0.0 1.7

!assign (resid 77 and name HG#) (resid 74 and name HA) 1.8 0.0 1.7

!assign (resid 77 and name HB) (resid 74 and name HA) 1.8 0.0 1.1


!assign (resid 77 and name HG#) (resid 76 and (name HG1# or name HG2#)) 1.8 0.0 3.2

assign (resid 77 and name HN)  (resid 76 and name HN) 1.8 0.0 1.1

assign (resid 77 and name HN) (resid 76 and (name HG1# or name HG2#)) 1.8 0.0 3.2


assign (resid 77 and name HB) (resid 78 and name HN)  1.8 0.0 1.7

assign (resid 77 and name HN) (resid 78 and name HN) 1.8 0.0 1.7


assign (resid 77 and name HA) (resid 78 and name HN) 1.8 0.0 3.2   !add 201404

assign (resid 77 and name HN) (resid 79 and name HN) 1.8 0.0 3.2   !add 201404





!Gly-78

!intra

assign (resid 78 and name HN) (resid 78 and name HA#) 1.8 0.0 1.1

!inter

!assign (resid 78 and name HA#) (resid 77 and name HG1#) 1.8 0.0 3.2

assign (resid 78 and name HN) (resid 75 and name HN) 1.8 0.0 3.2


assign (resid 78 and name HN) (resid 77 and name HG1#) 1.8 0.0 3.2
assign (resid 78 and name HN) (resid 77 and name HG2#) 1.8 0.0 3.2

assign (resid 78 and name HN) (resid 77 and name HA) 1.8 0.0 3.2

assign (resid 78 and name HN) (resid 79 and name HN) 1.8 0.0 1.1

assign (resid 78 and name HA#) (resid 79 and name HN) 1.8 0.0 3.2   !add 201404






!Ala-79

!intra

assign (resid 79 and name HA) (resid 79 and name HB#) 1.8 0.0 1.1

assign (resid 79 and name HB#) (resid 79 and name HN) 1.8 0.0 1.7

assign (resid 79 and name HN) (resid 79 and name HA) 1.8 0.0 1.1

!inter

assign (resid 79 and name HN) (resid 76 and name HA) 1.8 0.0 3.2


assign (resid 79 and name HN) (resid 78 and name HA#) 1.8 0.0 1.1


assign (resid 79 and name HN) (resid 77 and name HB) 1.8 0.0 3.2

assign (resid 79 and name HN) (resid 77 and (name HG2# or name HG1#)) 1.8 0.0 3.2


assign (resid 79 and name HB#) (resid 80 and name HB) 1.8 0.0 4.2






!Thr-80

!intra

assign (resid 80 and name HA)  (resid 80 and name HG2#)  1.8 0.0 1.7

assign (resid 80 and name HA)  (resid 80 and name HN)  1.8 0.0 1.7

assign (resid 80 and name HB)  (resid 80 and name HA)  1.8 0.0 1.1

assign (resid 80 and name HB)  (resid 80 and name HN) 1.8 0.0 3.2

assign (resid 80 and name HB)  (resid 80 and name HG2#) 1.8 0.0 1.1

assign (resid 80 and name HG2#) (resid 80 and name HA) 1.8 0.0 1.7

assign (resid 80 and name HG2#) (resid 80 and name HN) 1.8 0.0 3.2

!inter

assign (resid 80 and name HN) (resid 78 and name HA#) 1.8 0.0 3.2

assign (resid 80 and name HN) (resid 78 and name HN) 1.8 0.0 3.2


assign (resid 80 and name HA) (resid 79 and name HB#) 1.8 0.0 3.2

assign (resid 80 and name HN) (resid 79 and name HB#) 1.8 0.0 1.7

assign (resid 80 and name HN) (resid 79 and name HA) 1.8 0.0 1.7

assign (resid 80 and name HN) (resid 76 and (name HG1# or name HG2#)) 1.8 0.0 3.2

assign (resid 80 and name HN) (resid 81 and name HN) 1.8 0.0 3.2

assign (resid 80 and name HN) (resid 81 and name HG2#) 1.8 0.0 3.2

assign (resid 80 and name HN) (resid 81 and name HA) 1.8 0.0 4.2


assign (resid 80 and name HA) (resid 81 and name HN)   1.8 0.0 1.7

assign (resid 80 and name HB) (resid 81 and name HA) 1.8 0.0 4.2


assign (resid 80 and name HG2#) (resid 52 and name HB2) 1.8 0.0 3.2
assign (resid 80 and name HG2#) (resid 52 and name HB1) 1.8 0.0 3.2

assign (resid 80 and name HG2#) (resid 54 and name HD1#) 1.8 0.0 3.2



!Thr-81

!intra

assign (resid 81 and name HA) (resid 81 and name HG2#) 1.8 0.0 1.7

assign (resid 81 and name HB) (resid 81 and name HG2#)  1.8 0.0 1.1

assign (resid 81 and name HB) (resid 81 and name HA) 1.8 0.0 1.7

assign (resid 81 and name HB) (resid 81 and name HN) 1.8 0.0 1.7

assign (resid 81 and name HN) (resid 81 and name HA) 1.8 0.0 1.1

assign (resid 81 and name HN) (resid 81 and name HG2#) 1.8 0.0 3.2

!inter

assign (resid 81 and name HB) (resid 79 and name HN) 1.8 0.0 4.2

assign (resid 81 and name HN) (resid 79 and name HB#) 1.8 0.0 4.2


assign (resid 81 and name HG2#) (resid 80 and name HA) 1.8 0.0 4.2

assign (resid 81 and name HB) (resid 80 and name HA) 1.8 0.0 4.2

assign (resid 81 and name HN) (resid 80 and name HG2#) 1.8 0.0 3.2


!assign (resid 81 and name HA) (resid 82 and name HD#) 1.8 0.0 1.7    

assign (resid 81 and name HB)  (resid 82 and name HD#) 1.8 0.0 3.2


assign (resid 81 and name HG2#) (resid 82 and name HD#) 1.8 0.0 3.2








!Pro-82

assign (resid 82 and name HB2) (resid 82 and name HA) 1.8 0.0 1.1
assign (resid 82 and name HB1) (resid 82 and name HA) 1.8 0.0 1.7

assign (resid 82 and name HB#) (resid 82 and name HG#) 1.8 0.0 1.1

assign (resid 82 and name HD1) (resid 82 and name HA)  1.8 0.0 2.5
assign (resid 82 and name HD2) (resid 82 and name HA)  1.8 0.0 2.5

assign (resid 82 and name HD2) (resid 82 and name HG#) 1.8 0.0 1.1
assign (resid 82 and name HD1) (resid 82 and name HG#) 1.8 0.0 1.1

!assign (resid 82 and name HB#) (resid 82 and name HD#) 1.8 0.0 1.7

!inter

assign (resid 82 and name HB#) (resid 83 and name HD1) 1.8 0.0 3.2







!Pro-83

!assign (resid 83 and name HA) (resid 83 and name HG#) 1.8 0.0 3.2

!assign (resid 83 and name HB2) (resid 83 and name HA) 1.8 0.0 1.7
!assign (resid 83 and name HB1) (resid 83 and name HA) 1.8 0.0 1.7

!assign (resid 83 and name HD1) (resid 83 and name HG#) 1.8 0.0 1.1
!assign (resid 83 and name HD2) (resid 83 and name HG#) 1.8 0.0 1.1

!assign (resid 83 and name HG#) (resid 83 and name HB#) 1.8 0.0 1.1

!assign (resid 83 and name HD1) (resid 83 and name HB#) 1.8 0.0 1.7
!assign (resid 83 and name HD2) (resid 83 and name HB#) 1.8 0.0 1.7




!inter

!assign (resid 83 and name HG#) (resid 82 and name HA) 1.8 0.0 3.2

!assign (resid 83 and name HD#) (resid 82 and name HB#) 1.8 0.0 1.7

!assign (resid 83 and name HD1) (resid 82 and name HA) 1.8 0.0 1.1
!assign (resid 83 and name HD2) (resid 82 and name HA) 1.8 0.0 1.1


!assign (resid 83 and name HA) (resid 84 and name HN) 1.8 0.0 1.7


!assign (resid 83 and name HD#) (resid 86 and name HN) 1.8 0.0 3.2   !HD2







!Val-84

!intra

!assign (resid 84 and name HA) (resid 84 and name HB) 1.8 0.0 1.7

!assign (resid 84 and name HA) (resid 84 and name HG#) 1.8 0.0 1.7

!assign (resid 84 and name HB) (resid 84 and name HG#) 1.8 0.0 1.1

!assign (resid 84 and name HB) (resid 84 and name HN) 1.8 0.0 3.2

!assign (resid 84 and name HN) (resid 84 and name HG#) 1.8 0.0 1.7

!inter

assign (resid 84 and name HN) (resid 83 and name HB1) 1.8 0.0 3.2
assign (resid 84 and name HN) (resid 83 and name HB2) 1.8 0.0 1.7

assign (resid 84 and name HA) (resid 85 and name HN) 1.8 0.0 1.7







!Glu-85

!intra

assign (resid 85 and name HA) (resid 85 and name HN) 1.8 0.0 1.1

assign (resid 85 and name HA) (resid 85 and name HB#) 1.8 0.0 1.7

assign (resid 85 and name HN) (resid 85 and name HB1) 1.8 0.0 3.2
assign (resid 85 and name HN) (resid 85 and name HB2) 1.8 0.0 1.7

!inter

assign (resid 85 and name HN) (resid 84 and name HG#) 1.8 0.0 1.7




!Ala-86




!Lys-87


assign (resid 80 and name HA) (resid 81 and name HN)   1.8 0.0 1.7






!Leu-88

!intra
!assign (resid 88 and name HA) (resid 88 and name HB#) 1.8 0.0 1.1

!assign (resid 88 and name HD#) (resid 88 and name HA) 1.8 0.0 1.1

!inter

!assign (resid 88 and name HD#) (resid 87 and name HD#) 1.8 0.0 3.2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1  -2.106  14.673   1.463
    2    H2   MET   1           H2       MET   1  -1.859  15.431   2.963
    3    H3   MET   1           H3       MET   1  -3.332  14.651   2.634
    4    HA   MET   1           HA       MET   1  -2.178  12.517   2.497
    5    HB2  MET   1           HB3      MET   1   0.174  14.276   3.225
    6    HB3  MET   1           HB2      MET   1   0.183  12.525   3.446
    7    HG2  MET   1           HG3      MET   1  -0.333  12.235   1.039
    8    HG3  MET   1           HG2      MET   1  -0.270  13.985   0.830
    9    HE1  MET   1           HE1      MET   1   1.476  15.368   1.678
   10    HE2  MET   1           HE2      MET   1   3.191  15.075   1.404
   11    HE3  MET   1           HE3      MET   1   2.448  14.620   2.943
   12    H    GLN   2           H        GLN   2  -3.524  11.901   4.128
   13    HA   GLN   2           HA       GLN   2  -3.055  13.039   6.848
   14    HB2  GLN   2           HB3      GLN   2  -5.396  11.446   5.751
   15    HB3  GLN   2           HB2      GLN   2  -5.275  12.073   7.396
   16    HG2  GLN   2           HG3      GLN   2  -5.147  14.370   6.530
   17    HG3  GLN   2           HG2      GLN   2  -5.227  13.761   4.876
   18   HE21  GLN   2          HE22      GLN   2  -7.224  15.549   5.855
   19   HE22  GLN   2          HE21      GLN   2  -8.692  14.706   5.978
   20    H    HIS   3           H        HIS   3  -2.377  11.672   8.505
   21    HA   HIS   3           HA       HIS   3  -1.355   9.762   9.423
   22    HB2  HIS   3           HB3      HIS   3  -3.427   8.342   7.719
   23    HB3  HIS   3           HB2      HIS   3  -2.592   7.674   9.121
   24    HD1  HIS   3           HD1      HIS   3  -5.317  10.053   8.147
   25    HD2  HIS   3           HD2      HIS   3  -3.481   8.706  11.643
   26    HE1  HIS   3           HE1      HIS   3  -6.769  10.839  10.070
   27    HE2  HIS   3           HE2      HIS   3  -5.661  10.025  12.201
   28    H    ALA   4           H        ALA   4  -0.161  10.847   7.053
   29    HA   ALA   4           HA       ALA   4   0.412   8.932   5.040
   30    HB1  ALA   4           HB1      ALA   4   1.456  11.503   5.895
   31    HB2  ALA   4           HB2      ALA   4   1.431  10.793   4.281
   32    HB3  ALA   4           HB3      ALA   4   2.759  10.430   5.383
   33    H    SER   5           H        SER   5   1.813   9.404   8.253
   34    HA   SER   5           HA       SER   5   4.092   7.721   7.932
   35    HB2  SER   5           HB3      SER   5   4.144   7.611  10.353
   36    HB3  SER   5           HB2      SER   5   3.655   9.238   9.890
   37    HG   SER   5           HG       SER   5   2.349   8.206  11.553
   38    H    VAL   6           H        VAL   6   0.712   6.989   8.653
   39    HA   VAL   6           HA       VAL   6   1.129   4.224   9.330
   40    HB   VAL   6           HB       VAL   6  -1.295   5.651   8.225
   41   HG11  VAL   6          HG11      VAL   6  -2.125   3.578   7.871
   42   HG12  VAL   6          HG12      VAL   6  -2.111   3.381   9.623
   43   HG13  VAL   6          HG13      VAL   6  -0.744   2.819   8.663
   44   HG21  VAL   6          HG21      VAL   6  -2.027   5.790  10.485
   45   HG22  VAL   6          HG22      VAL   6  -0.328   6.261  10.530
   46   HG23  VAL   6          HG23      VAL   6  -0.807   4.639  11.029
   47    H    ILE   7           H        ILE   7   0.512   5.920   6.288
   48    HA   ILE   7           HA       ILE   7   0.103   3.646   4.641
   49    HB   ILE   7           HB       ILE   7   1.440   6.276   3.943
   50   HG12  ILE   7          HG13      ILE   7  -1.451   5.403   3.634
   51   HG13  ILE   7          HG12      ILE   7  -0.865   6.418   4.951
   52   HG21  ILE   7          HG21      ILE   7   1.088   3.893   2.425
   53   HG22  ILE   7          HG22      ILE   7   1.651   5.463   1.856
   54   HG23  ILE   7          HG23      ILE   7  -0.069   5.075   1.815
   55   HD11  ILE   7          HD11      ILE   7  -1.190   7.071   2.054
   56   HD12  ILE   7          HD12      ILE   7   0.136   7.838   2.927
   57   HD13  ILE   7          HD13      ILE   7  -1.525   8.063   3.472
   58    H    ALA   8           H        ALA   8   3.135   5.398   5.378
   59    HA   ALA   8           HA       ALA   8   4.822   3.608   3.909
   60    HB1  ALA   8           HB1      ALA   8   6.433   4.496   5.947
   61    HB2  ALA   8           HB2      ALA   8   5.183   5.741   5.919
   62    HB3  ALA   8           HB3      ALA   8   6.120   5.399   4.464
   63    H    GLN   9           H        GLN   9   3.823   3.717   7.305
   64    HA   GLN   9           HA       GLN   9   5.270   1.420   8.184
   65    HB2  GLN   9           HB3      GLN   9   4.185   3.057   9.712
   66    HB3  GLN   9           HB2      GLN   9   2.606   2.484   9.176
   67    HG2  GLN   9           HG3      GLN   9   4.052   0.174   9.894
   68    HG3  GLN   9           HG2      GLN   9   4.362   1.350  11.169
   69   HE21  GLN   9          HE22      GLN   9   1.586   0.075   9.244
   70   HE22  GLN   9          HE21      GLN   9   0.477   0.149  10.527
   71    H    PHE  10           H        PHE  10   2.091   1.814   6.703
   72    HA   PHE  10           HA       PHE  10   1.161  -0.852   7.048
   73    HB2  PHE  10           HB3      PHE  10  -0.118   1.223   6.241
   74    HB3  PHE  10           HB2      PHE  10   0.571   0.895   4.654
   75    HD1  PHE  10           HD1      PHE  10  -1.637  -0.412   7.318
   76    HD2  PHE  10           HD2      PHE  10  -0.204  -0.952   3.304
   77    HE1  PHE  10           HE1      PHE  10  -3.428  -2.075   6.904
   78    HE2  PHE  10           HE2      PHE  10  -1.998  -2.619   2.892
   79    HZ   PHE  10           HZ       PHE  10  -3.607  -3.174   4.694
   80    H    VAL  11           H        VAL  11   2.788   0.629   4.226
   81    HA   VAL  11           HA       VAL  11   3.061  -1.925   2.877
   82    HB   VAL  11           HB       VAL  11   4.389  -0.655   1.248
   83   HG11  VAL  11          HG11      VAL  11   2.369  -0.037   0.474
   84   HG12  VAL  11          HG12      VAL  11   2.473   1.417   1.468
   85   HG13  VAL  11          HG13      VAL  11   1.711  -0.039   2.110
   86   HG21  VAL  11          HG21      VAL  11   5.701   0.801   2.594
   87   HG22  VAL  11          HG22      VAL  11   4.280   1.442   3.418
   88   HG23  VAL  11          HG23      VAL  11   4.589   1.865   1.734
   89    H    VAL  12           H        VAL  12   5.380   0.225   4.556
   90    HA   VAL  12           HA       VAL  12   7.670  -1.424   4.123
   91    HB   VAL  12           HB       VAL  12   7.059   0.576   6.290
   92   HG11  VAL  12          HG11      VAL  12   8.789  -0.670   7.250
   93   HG12  VAL  12          HG12      VAL  12   9.681   0.560   6.354
   94   HG13  VAL  12          HG13      VAL  12   9.502  -1.062   5.685
   95   HG21  VAL  12          HG21      VAL  12   7.146   1.674   4.184
   96   HG22  VAL  12          HG22      VAL  12   8.480   0.663   3.628
   97   HG23  VAL  12          HG23      VAL  12   8.758   1.887   4.866
   98    H    GLU  13           H        GLU  13   5.339  -1.367   6.805
   99    HA   GLU  13           HA       GLU  13   6.715  -3.205   8.481
  100    HB2  GLU  13           HB3      GLU  13   4.747  -1.881   9.206
  101    HB3  GLU  13           HB2      GLU  13   3.725  -2.887   8.187
  102    HG2  GLU  13           HG3      GLU  13   4.495  -4.890   9.460
  103    HG3  GLU  13           HG2      GLU  13   5.394  -3.813  10.526
  104    H    GLU  14           H        GLU  14   4.633  -3.717   5.692
  105    HA   GLU  14           HA       GLU  14   4.263  -6.536   6.065
  106    HB2  GLU  14           HB3      GLU  14   2.920  -5.119   4.505
  107    HB3  GLU  14           HB2      GLU  14   4.331  -5.001   3.454
  108    HG2  GLU  14           HG3      GLU  14   4.373  -7.487   3.290
  109    HG3  GLU  14           HG2      GLU  14   2.894  -7.548   4.249
  110    H    PHE  15           H        PHE  15   6.796  -4.658   4.428
  111    HA   PHE  15           HA       PHE  15   8.106  -7.142   3.524
  112    HB2  PHE  15           HB3      PHE  15   9.116  -4.298   3.301
  113    HB3  PHE  15           HB2      PHE  15   9.672  -5.700   2.389
  114    HD1  PHE  15           HD1      PHE  15   7.893  -6.946   0.949
  115    HD2  PHE  15           HD2      PHE  15   7.395  -2.965   2.473
  116    HE1  PHE  15           HE1      PHE  15   6.145  -6.510  -0.757
  117    HE2  PHE  15           HE2      PHE  15   5.647  -2.527   0.776
  118    HZ   PHE  15           HZ       PHE  15   5.025  -4.298  -0.843
  119    H    LEU  16           H        LEU  16   9.067  -4.345   5.565
  120    HA   LEU  16           HA       LEU  16  10.893  -6.219   7.020
  121    HB2  LEU  16           HB3      LEU  16  11.695  -4.169   5.358
  122    HB3  LEU  16           HB2      LEU  16  11.759  -3.414   6.948
  123    HG   LEU  16           HG       LEU  16  13.065  -5.406   7.763
  124   HD11  LEU  16          HD11      LEU  16  12.292  -6.383   5.179
  125   HD12  LEU  16          HD12      LEU  16  13.166  -7.233   6.454
  126   HD13  LEU  16          HD13      LEU  16  14.053  -6.303   5.246
  127   HD21  LEU  16          HD21      LEU  16  15.126  -4.578   6.950
  128   HD22  LEU  16          HD22      LEU  16  14.038  -3.197   6.806
  129   HD23  LEU  16          HD23      LEU  16  14.438  -4.157   5.381
  130    HA   PRO  17           HA       PRO  17   8.235  -4.117  10.131
  131    HB2  PRO  17           HB2      PRO  17   7.754  -6.549  11.482
  132    HB3  PRO  17           HB3      PRO  17   6.649  -5.712  10.382
  133    HG2  PRO  17           HG3      PRO  17   7.968  -8.174   9.965
  134    HG3  PRO  17           HG2      PRO  17   6.951  -7.283   8.833
  135    HD2  PRO  17           HD3      PRO  17   9.885  -7.503   8.908
  136    HD3  PRO  17           HD2      PRO  17   8.827  -7.008   7.570
  137    H    ASP  18           H        ASP  18  10.970  -6.279  10.380
  138    HA   ASP  18           HA       ASP  18  11.366  -5.909  13.238
  139    HB2  ASP  18           HB3      ASP  18  13.178  -6.920  11.041
  140    HB3  ASP  18           HB2      ASP  18  13.614  -6.914  12.745
  141    H    VAL  19           H        VAL  19  11.691  -3.885  10.626
  142    HA   VAL  19           HA       VAL  19  13.845  -2.292  11.958
  143    HB   VAL  19           HB       VAL  19  12.938  -2.220   9.060
  144   HG11  VAL  19          HG11      VAL  19  13.755  -0.060   9.613
  145   HG12  VAL  19          HG12      VAL  19  15.141  -0.885   8.897
  146   HG13  VAL  19          HG13      VAL  19  15.023  -0.716  10.649
  147   HG21  VAL  19          HG21      VAL  19  14.143  -4.263   9.420
  148   HG22  VAL  19          HG22      VAL  19  15.330  -3.458  10.447
  149   HG23  VAL  19          HG23      VAL  19  15.299  -3.133   8.714
  150    H    ALA  20           H        ALA  20  13.364  -0.090  12.400
  151    HA   ALA  20           HA       ALA  20  10.639   0.547  12.885
  152    HB1  ALA  20           HB1      ALA  20  11.700   2.144  14.060
  153    HB2  ALA  20           HB2      ALA  20  12.027   2.985  12.545
  154    HB3  ALA  20           HB3      ALA  20  13.200   1.834  13.186
  155    HA   PRO  21           HA       PRO  21   9.680   1.325   8.512
  156    HB2  PRO  21           HB2      PRO  21   7.084   2.306   9.230
  157    HB3  PRO  21           HB3      PRO  21   7.502   0.751   8.499
  158    HG2  PRO  21           HG3      PRO  21   6.633   1.265  11.145
  159    HG3  PRO  21           HG2      PRO  21   7.072  -0.281  10.412
  160    HD2  PRO  21           HD3      PRO  21   8.535   1.238  12.371
  161    HD3  PRO  21           HD2      PRO  21   8.950  -0.337  11.665
  162    H    ALA  22           H        ALA  22   9.089   3.611  11.136
  163    HA   ALA  22           HA       ALA  22   8.789   5.919   9.404
  164    HB1  ALA  22           HB1      ALA  22   8.036   5.690  11.857
  165    HB2  ALA  22           HB2      ALA  22   8.803   7.210  11.400
  166    HB3  ALA  22           HB3      ALA  22   9.722   5.987  12.278
  167    H    ASP  23           H        ASP  23  11.437   4.029  10.411
  168    HA   ASP  23           HA       ASP  23  13.393   6.219  10.011
  169    HB2  ASP  23           HB3      ASP  23  13.727   3.328  10.865
  170    HB3  ASP  23           HB2      ASP  23  15.062   4.465  10.674
  171    H    VAL  24           H        VAL  24  11.664   4.347   8.029
  172    HA   VAL  24           HA       VAL  24  13.927   3.670   6.214
  173    HB   VAL  24           HB       VAL  24  10.988   2.938   6.005
  174   HG11  VAL  24          HG11      VAL  24  11.880   1.261   4.361
  175   HG12  VAL  24          HG12      VAL  24  13.455   2.046   4.484
  176   HG13  VAL  24          HG13      VAL  24  12.076   2.933   3.834
  177   HG21  VAL  24          HG21      VAL  24  13.396   1.499   7.135
  178   HG22  VAL  24          HG22      VAL  24  11.964   0.626   6.589
  179   HG23  VAL  24          HG23      VAL  24  11.837   1.789   7.908
  180    H    ASP  25           H        ASP  25  14.173   4.766   4.279
  181    HA   ASP  25           HA       ASP  25  12.964   7.332   3.980
  182    HB2  ASP  25           HB3      ASP  25  14.392   5.576   1.961
  183    HB3  ASP  25           HB2      ASP  25  13.955   7.261   1.674
  184    H    VAL  26           H        VAL  26  10.689   7.114   4.018
  185    HA   VAL  26           HA       VAL  26   9.193   5.272   2.428
  186    HB   VAL  26           HB       VAL  26   7.281   6.637   2.931
  187   HG11  VAL  26          HG11      VAL  26   7.531   6.970   5.342
  188   HG12  VAL  26          HG12      VAL  26   9.287   6.966   5.183
  189   HG13  VAL  26          HG13      VAL  26   8.369   5.495   4.861
  190   HG21  VAL  26          HG21      VAL  26   8.043   8.951   4.135
  191   HG22  VAL  26          HG22      VAL  26   7.652   8.839   2.419
  192   HG23  VAL  26          HG23      VAL  26   9.334   8.782   2.945
  193    H    ASP  27           H        ASP  27  11.303   7.470   1.298
  194    HA   ASP  27           HA       ASP  27   9.658   8.426  -0.971
  195    HB2  ASP  27           HB3      ASP  27  12.546   8.934  -0.191
  196    HB3  ASP  27           HB2      ASP  27  11.767   9.627  -1.614
  197    H    LEU  28           H        LEU  28  10.888   5.576  -0.293
  198    HA   LEU  28           HA       LEU  28  12.450   5.088  -2.740
  199    HB2  LEU  28           HB3      LEU  28  12.992   3.955  -0.577
  200    HB3  LEU  28           HB2      LEU  28  11.448   3.114  -0.675
  201    HG   LEU  28           HG       LEU  28  12.163   2.225  -2.925
  202   HD11  LEU  28          HD11      LEU  28  14.809   2.262  -3.055
  203   HD12  LEU  28          HD12      LEU  28  14.619   3.760  -2.145
  204   HD13  LEU  28          HD13      LEU  28  13.863   3.588  -3.729
  205   HD21  LEU  28          HD21      LEU  28  12.414   1.010  -0.691
  206   HD22  LEU  28          HD22      LEU  28  14.108   1.498  -0.723
  207   HD23  LEU  28          HD23      LEU  28  13.467   0.451  -1.989
  208    H    ASP  29           H        ASP  29  11.634   4.226  -4.593
  209    HA   ASP  29           HA       ASP  29   8.805   4.127  -4.998
  210    HB2  ASP  29           HB3      ASP  29  11.093   2.968  -6.618
  211    HB3  ASP  29           HB2      ASP  29   9.418   3.007  -7.170
  212    H    LEU  30           H        LEU  30   7.429   2.549  -4.344
  213    HA   LEU  30           HA       LEU  30   8.308   0.175  -3.044
  214    HB2  LEU  30           HB3      LEU  30   5.621   0.652  -4.378
  215    HB3  LEU  30           HB2      LEU  30   5.968  -0.546  -3.132
  216    HG   LEU  30           HG       LEU  30   6.135   2.465  -2.821
  217   HD11  LEU  30          HD11      LEU  30   4.455   1.231  -0.904
  218   HD12  LEU  30          HD12      LEU  30   4.024   0.532  -2.465
  219   HD13  LEU  30          HD13      LEU  30   3.969   2.280  -2.236
  220   HD21  LEU  30          HD21      LEU  30   6.402   1.591  -0.328
  221   HD22  LEU  30          HD22      LEU  30   7.809   1.736  -1.380
  222   HD23  LEU  30          HD23      LEU  30   7.052   0.163  -1.131
  223    H    VAL  31           H        VAL  31   8.269   0.962  -6.337
  224    HA   VAL  31           HA       VAL  31   7.536  -1.397  -7.646
  225    HB   VAL  31           HB       VAL  31   8.410   0.792  -8.671
  226   HG11  VAL  31          HG11      VAL  31  10.573   0.621  -7.305
  227   HG12  VAL  31          HG12      VAL  31  10.759   1.022  -9.013
  228   HG13  VAL  31          HG13      VAL  31  11.075  -0.620  -8.453
  229   HG21  VAL  31          HG21      VAL  31   9.071  -1.989  -9.599
  230   HG22  VAL  31          HG22      VAL  31   9.613  -0.609 -10.554
  231   HG23  VAL  31          HG23      VAL  31   7.893  -0.849 -10.250
  232    H    ASP  32           H        ASP  32  10.555  -0.678  -5.928
  233    HA   ASP  32           HA       ASP  32  11.994  -3.024  -6.644
  234    HB2  ASP  32           HB3      ASP  32  11.958  -1.477  -4.029
  235    HB3  ASP  32           HB2      ASP  32  13.131  -2.737  -4.413
  236    H    ASN  33           H        ASN  33   9.499  -2.405  -4.253
  237    HA   ASN  33           HA       ASN  33   9.495  -5.197  -3.318
  238    HB2  ASN  33           HB3      ASN  33   7.673  -2.878  -2.639
  239    HB3  ASN  33           HB2      ASN  33   7.689  -4.440  -1.825
  240   HD21  ASN  33          HD22      ASN  33   9.167  -1.320  -1.921
  241   HD22  ASN  33          HD21      ASN  33  10.401  -1.629  -0.798
  242    H    GLY  34           H        GLY  34   8.736  -4.067  -6.102
  243    HA2  GLY  34           HA3      GLY  34   6.076  -4.199  -6.749
  244    HA3  GLY  34           HA2      GLY  34   7.314  -4.904  -7.786
  245    H    VAL  35           H        VAL  35   7.862  -6.741  -5.282
  246    HA   VAL  35           HA       VAL  35   6.575  -9.049  -6.242
  247    HB   VAL  35           HB       VAL  35   8.404  -8.830  -4.421
  248   HG11  VAL  35          HG11      VAL  35   7.684  -8.646  -2.167
  249   HG12  VAL  35          HG12      VAL  35   5.992  -8.875  -2.610
  250   HG13  VAL  35          HG13      VAL  35   6.815  -7.374  -3.024
  251   HG21  VAL  35          HG21      VAL  35   7.505 -10.955  -3.283
  252   HG22  VAL  35          HG22      VAL  35   7.670 -11.014  -5.038
  253   HG23  VAL  35          HG23      VAL  35   6.083 -10.768  -4.310
  254    H    ILE  36           H        ILE  36   5.443  -6.610  -3.958
  255    HA   ILE  36           HA       ILE  36   2.981  -7.989  -3.291
  256    HB   ILE  36           HB       ILE  36   4.212  -6.070  -2.019
  257   HG12  ILE  36          HG13      ILE  36   1.233  -6.326  -2.447
  258   HG13  ILE  36          HG12      ILE  36   2.206  -6.949  -1.119
  259   HG21  ILE  36          HG21      ILE  36   4.008  -4.622  -4.168
  260   HG22  ILE  36          HG22      ILE  36   3.654  -3.855  -2.620
  261   HG23  ILE  36          HG23      ILE  36   2.335  -4.379  -3.666
  262   HD11  ILE  36          HD11      ILE  36   2.756  -4.321  -0.862
  263   HD12  ILE  36          HD12      ILE  36   1.394  -5.090  -0.050
  264   HD13  ILE  36          HD13      ILE  36   1.141  -4.211  -1.558
  265    H    ASP  37           H        ASP  37   3.992  -5.871  -5.852
  266    HA   ASP  37           HA       ASP  37   1.508  -4.785  -6.636
  267    HB2  ASP  37           HB3      ASP  37   3.893  -5.553  -8.331
  268    HB3  ASP  37           HB2      ASP  37   2.524  -4.615  -8.921
  269    H    SER  38           H        SER  38   2.784  -8.030  -7.209
  270    HA   SER  38           HA       SER  38   0.360  -8.589  -8.864
  271    HB2  SER  38           2HB      SER  38   2.159 -10.762  -9.006
  272    HB3  SER  38           1HB      SER  38   1.782  -9.591 -10.266
  273    H    LEU  39           H        LEU  39   2.459 -10.499  -6.669
  274    HA   LEU  39           HA       LEU  39   0.316 -12.302  -6.025
  275    HB2  LEU  39           HB3      LEU  39   2.974 -11.791  -4.697
  276    HB3  LEU  39           HB2      LEU  39   1.876 -13.070  -4.194
  277    HG   LEU  39           HG       LEU  39   1.958 -13.629  -6.811
  278   HD11  LEU  39          HD11      LEU  39   4.305 -13.312  -7.610
  279   HD12  LEU  39          HD12      LEU  39   4.611 -12.295  -6.202
  280   HD13  LEU  39          HD13      LEU  39   3.436 -11.791  -7.416
  281   HD21  LEU  39          HD21      LEU  39   3.922 -14.379  -4.641
  282   HD22  LEU  39          HD22      LEU  39   3.943 -15.151  -6.227
  283   HD23  LEU  39          HD23      LEU  39   2.517 -15.287  -5.197
  284    H    GLY  40           H        GLY  40   1.856  -9.710  -4.122
  285    HA2  GLY  40           HA3      GLY  40   0.009  -9.980  -1.921
  286    HA3  GLY  40           HA2      GLY  40   1.084  -8.611  -2.194
  287    H    LEU  41           H        LEU  41   0.104  -7.958  -4.811
  288    HA   LEU  41           HA       LEU  41  -1.997  -6.173  -4.148
  289    HB2  LEU  41           HB3      LEU  41  -0.465  -5.956  -6.106
  290    HB3  LEU  41           HB2      LEU  41  -1.326  -7.275  -6.892
  291    HG   LEU  41           HG       LEU  41  -2.759  -4.814  -5.878
  292   HD11  LEU  41          HD11      LEU  41  -0.919  -4.227  -7.514
  293   HD12  LEU  41          HD12      LEU  41  -2.544  -3.797  -8.045
  294   HD13  LEU  41          HD13      LEU  41  -1.752  -5.229  -8.702
  295   HD21  LEU  41          HD21      LEU  41  -4.034  -5.752  -8.139
  296   HD22  LEU  41          HD22      LEU  41  -4.501  -6.139  -6.487
  297   HD23  LEU  41          HD23      LEU  41  -3.472  -7.244  -7.393
  298    H    LEU  42           H        LEU  42  -2.104  -9.367  -5.714
  299    HA   LEU  42           HA       LEU  42  -4.916  -9.371  -6.212
  300    HB2  LEU  42           HB3      LEU  42  -3.308 -11.042  -7.155
  301    HB3  LEU  42           HB2      LEU  42  -3.158 -11.748  -5.553
  302    HG   LEU  42           HG       LEU  42  -5.644 -12.109  -5.540
  303   HD11  LEU  42          HD11      LEU  42  -5.270 -10.905  -8.253
  304   HD12  LEU  42          HD12      LEU  42  -6.577 -10.670  -7.095
  305   HD13  LEU  42          HD13      LEU  42  -6.500 -12.151  -8.048
  306   HD21  LEU  42          HD21      LEU  42  -3.600 -13.502  -7.037
  307   HD22  LEU  42          HD22      LEU  42  -5.163 -13.695  -7.832
  308   HD23  LEU  42          HD23      LEU  42  -4.966 -14.173  -6.145
  309    H    LYS  43           H        LYS  43  -3.021 -10.487  -3.408
  310    HA   LYS  43           HA       LYS  43  -5.343 -11.336  -1.912
  311    HB2  LYS  43           HB3      LYS  43  -2.533 -10.650  -1.041
  312    HB3  LYS  43           HB2      LYS  43  -3.746 -11.379   0.004
  313    HG2  LYS  43           HG3      LYS  43  -3.946 -13.271  -1.614
  314    HG3  LYS  43           HG2      LYS  43  -2.630 -12.563  -2.551
  315    HD2  LYS  43           HD3      LYS  43  -1.172 -12.694  -0.527
  316    HD3  LYS  43           HD2      LYS  43  -2.480 -13.518   0.322
  317    HE2  LYS  43           HE3      LYS  43  -2.371 -15.405  -1.112
  318    HE3  LYS  43           HE2      LYS  43  -1.411 -14.539  -2.311
  319    HZ1  LYS  43           HZ1      LYS  43  -0.401 -14.944   0.431
  320    HZ2  LYS  43           HZ2      LYS  43   0.472 -14.627  -0.988
  321    HZ3  LYS  43           HZ3      LYS  43  -0.226 -16.157  -0.746
  322    H    VAL  44           H        VAL  44  -3.386  -8.370  -1.969
  323    HA   VAL  44           HA       VAL  44  -4.724  -7.101   0.231
  324    HB   VAL  44           HB       VAL  44  -3.184  -5.945  -2.104
  325   HG11  VAL  44          HG11      VAL  44  -2.997  -3.955  -0.496
  326   HG12  VAL  44          HG12      VAL  44  -4.346  -4.678   0.382
  327   HG13  VAL  44          HG13      VAL  44  -4.555  -4.173  -1.294
  328   HG21  VAL  44          HG21      VAL  44  -1.309  -6.245  -0.834
  329   HG22  VAL  44          HG22      VAL  44  -2.279  -7.489  -0.045
  330   HG23  VAL  44          HG23      VAL  44  -2.153  -5.883   0.672
  331    H    ILE  45           H        ILE  45  -5.216  -6.809  -3.302
  332    HA   ILE  45           HA       ILE  45  -7.326  -4.898  -3.102
  333    HB   ILE  45           HB       ILE  45  -6.294  -6.747  -5.186
  334   HG12  ILE  45          HG13      ILE  45  -6.254  -4.683  -6.478
  335   HG13  ILE  45          HG12      ILE  45  -7.221  -3.861  -5.254
  336   HG21  ILE  45          HG21      ILE  45  -8.592  -7.306  -5.458
  337   HG22  ILE  45          HG22      ILE  45  -8.277  -6.047  -6.650
  338   HG23  ILE  45          HG23      ILE  45  -9.110  -5.649  -5.148
  339   HD11  ILE  45          HD11      ILE  45  -5.462  -3.748  -3.740
  340   HD12  ILE  45          HD12      ILE  45  -4.591  -3.599  -5.266
  341   HD13  ILE  45          HD13      ILE  45  -4.644  -5.150  -4.428
  342    H    ALA  46           H        ALA  46  -7.377  -8.459  -3.242
  343    HA   ALA  46           HA       ALA  46 -10.231  -8.703  -3.207
  344    HB1  ALA  46           HB1      ALA  46  -9.578 -11.014  -2.132
  345    HB2  ALA  46           HB2      ALA  46  -7.933 -10.514  -2.526
  346    HB3  ALA  46           HB3      ALA  46  -9.136 -10.677  -3.806
  347    H    TRP  47           H        TRP  47  -7.822  -8.703  -0.570
  348    HA   TRP  47           HA       TRP  47  -9.887  -8.961   1.473
  349    HB2  TRP  47           HB3      TRP  47  -7.917  -9.839   2.274
  350    HB3  TRP  47           HB2      TRP  47  -6.924  -8.646   1.437
  351    HD1  TRP  47           HD1      TRP  47  -9.797  -8.161   3.995
  352    HE1  TRP  47           HE1      TRP  47  -8.916  -6.640   5.883
  353    HE3  TRP  47           HE3      TRP  47  -4.991  -7.567   2.452
  354    HZ2  TRP  47           HZ2      TRP  47  -6.475  -5.340   6.638
  355    HZ3  TRP  47           HZ3      TRP  47  -3.395  -6.186   3.763
  356    HH2  TRP  47           HH2      TRP  47  -4.134  -5.073   5.854
  357    H    LEU  48           H        LEU  48  -7.715  -6.344   0.423
  358    HA   LEU  48           HA       LEU  48  -8.685  -4.356   2.193
  359    HB2  LEU  48           HB3      LEU  48  -6.615  -4.228   0.746
  360    HB3  LEU  48           HB2      LEU  48  -7.670  -3.883  -0.616
  361    HG   LEU  48           HG       LEU  48  -8.638  -2.028   0.950
  362   HD11  LEU  48          HD11      LEU  48  -7.432  -1.447   2.793
  363   HD12  LEU  48          HD12      LEU  48  -5.892  -1.806   2.012
  364   HD13  LEU  48          HD13      LEU  48  -6.856  -3.111   2.701
  365   HD21  LEU  48          HD21      LEU  48  -7.652  -1.093  -0.894
  366   HD22  LEU  48          HD22      LEU  48  -6.223  -2.117  -0.768
  367   HD23  LEU  48          HD23      LEU  48  -6.376  -0.688   0.254
  368    H    GLU  49           H        GLU  49  -9.793  -5.223  -1.098
  369    HA   GLU  49           HA       GLU  49 -11.716  -3.099  -1.263
  370    HB2  GLU  49           HB3      GLU  49 -12.568  -4.248  -3.183
  371    HB3  GLU  49           HB2      GLU  49 -10.829  -4.503  -3.190
  372    HG2  GLU  49           HG3      GLU  49 -11.546  -6.672  -3.522
  373    HG3  GLU  49           HG2      GLU  49 -11.497  -6.631  -1.763
  374    H    ASP  50           H        ASP  50 -11.877  -6.421  -0.058
  375    HA   ASP  50           HA       ASP  50 -14.714  -6.468   0.375
  376    HB2  ASP  50           HB3      ASP  50 -13.181  -8.472   0.352
  377    HB3  ASP  50           HB2      ASP  50 -12.603  -7.959   1.935
  378    H    ARG  51           H        ARG  51 -11.971  -5.557   2.419
  379    HA   ARG  51           HA       ARG  51 -13.412  -5.154   4.831
  380    HB2  ARG  51           HB3      ARG  51 -10.940  -5.232   4.682
  381    HB3  ARG  51           HB2      ARG  51 -10.954  -3.670   3.863
  382    HG2  ARG  51           HG3      ARG  51 -11.818  -2.557   5.788
  383    HG3  ARG  51           HG2      ARG  51 -12.220  -4.082   6.578
  384    HD2  ARG  51           HD3      ARG  51 -10.180  -3.202   7.571
  385    HD3  ARG  51           HD2      ARG  51  -9.783  -4.641   6.634
  386    HE   ARG  51           HE       ARG  51  -9.387  -2.597   4.829
  387   HH11  ARG  51          HH22      ARG  51  -8.405  -3.243   8.069
  388   HH12  ARG  51          HH21      ARG  51  -6.888  -2.422   7.916
  389   HH21  ARG  51          HH11      ARG  51  -7.404  -1.523   4.608
  390   HH22  ARG  51          HH12      ARG  51  -6.322  -1.448   5.958
  391    H    PHE  52           H        PHE  52 -12.803  -2.898   2.121
  392    HA   PHE  52           HA       PHE  52 -14.564  -0.932   3.508
  393    HB2  PHE  52           HB3      PHE  52 -12.549  -0.603   1.272
  394    HB3  PHE  52           HB2      PHE  52 -13.582   0.689   1.875
  395    HD1  PHE  52           HD1      PHE  52 -13.385   1.441   4.259
  396    HD2  PHE  52           HD2      PHE  52 -10.631  -1.341   2.491
  397    HE1  PHE  52           HE1      PHE  52 -11.789   1.842   6.114
  398    HE2  PHE  52           HE2      PHE  52  -9.036  -0.938   4.345
  399    HZ   PHE  52           HZ       PHE  52  -9.615   0.650   6.156
  400    H    GLY  53           H        GLY  53 -14.653  -3.281   1.114
  401    HA2  GLY  53           HA3      GLY  53 -16.299  -3.789  -0.482
  402    HA3  GLY  53           HA2      GLY  53 -17.292  -2.538   0.269
  403    H    ILE  54           H        ILE  54 -14.082  -2.044  -1.156
  404    HA   ILE  54           HA       ILE  54 -15.300  -0.002  -2.937
  405    HB   ILE  54           HB       ILE  54 -12.386  -0.661  -2.411
  406   HG12  ILE  54          HG13      ILE  54 -13.998   1.685  -1.382
  407   HG13  ILE  54          HG12      ILE  54 -13.787   0.202  -0.454
  408   HG21  ILE  54          HG21      ILE  54 -13.785   1.152  -4.253
  409   HG22  ILE  54          HG22      ILE  54 -12.111   0.597  -4.278
  410   HG23  ILE  54          HG23      ILE  54 -12.574   1.959  -3.257
  411   HD11  ILE  54          HD11      ILE  54 -11.595   2.044  -1.447
  412   HD12  ILE  54          HD12      ILE  54 -11.303   0.483  -0.680
  413   HD13  ILE  54          HD13      ILE  54 -12.074   1.783   0.230
  414    H    ALA  55           H        ALA  55 -15.693  -0.473  -5.045
  415    HA   ALA  55           HA       ALA  55 -15.045  -3.037  -6.177
  416    HB1  ALA  55           HB1      ALA  55 -15.656  -1.612  -8.368
  417    HB2  ALA  55           HB2      ALA  55 -16.293  -0.508  -7.148
  418    HB3  ALA  55           HB3      ALA  55 -16.893  -2.164  -7.239
  419    H    ALA  56           H        ALA  56 -13.352  -3.631  -7.516
  420    HA   ALA  56           HA       ALA  56 -10.929  -2.098  -7.435
  421    HB1  ALA  56           HB1      ALA  56  -9.978  -3.823  -8.772
  422    HB2  ALA  56           HB2      ALA  56 -11.542  -4.254  -9.463
  423    HB3  ALA  56           HB3      ALA  56 -11.189  -4.632  -7.777
  424    H    ASP  57           H        ASP  57 -13.577  -2.286  -9.726
  425    HA   ASP  57           HA       ASP  57 -12.366  -1.148 -12.009
  426    HB2  ASP  57           HB3      ASP  57 -15.178  -0.857 -10.946
  427    HB3  ASP  57           HB2      ASP  57 -14.677  -0.313 -12.545
  428    H    ASP  58           H        ASP  58 -13.568   0.385  -9.065
  429    HA   ASP  58           HA       ASP  58 -13.637   3.070  -9.863
  430    HB2  ASP  58           HB3      ASP  58 -12.712   1.865  -7.252
  431    HB3  ASP  58           HB2      ASP  58 -12.988   3.590  -7.485
  432    H    VAL  59           H        VAL  59 -10.842   1.052  -9.099
  433    HA   VAL  59           HA       VAL  59  -9.096   3.265 -10.104
  434    HB   VAL  59           HB       VAL  59  -8.897   2.969  -7.626
  435   HG11  VAL  59          HG11      VAL  59  -7.443   0.414  -7.960
  436   HG12  VAL  59          HG12      VAL  59  -9.192   0.308  -8.157
  437   HG13  VAL  59          HG13      VAL  59  -8.511   0.940  -6.658
  438   HG21  VAL  59          HG21      VAL  59  -6.280   2.021  -8.195
  439   HG22  VAL  59          HG22      VAL  59  -6.802   3.697  -8.026
  440   HG23  VAL  59          HG23      VAL  59  -6.812   2.926  -9.612
  441    H    GLU  60           H        GLU  60  -7.429   2.609 -11.488
  442    HA   GLU  60           HA       GLU  60  -7.708  -0.133 -12.564
  443    HB2  GLU  60           HB3      GLU  60  -7.620   1.839 -14.102
  444    HB3  GLU  60           HB2      GLU  60  -5.978   2.151 -13.553
  445    HG2  GLU  60           HG3      GLU  60  -5.333  -0.127 -14.292
  446    HG3  GLU  60           HG2      GLU  60  -6.959  -0.356 -14.922
  447    H    LEU  61           H        LEU  61  -6.028  -1.649 -12.521
  448    HA   LEU  61           HA       LEU  61  -3.945  -1.139 -10.492
  449    HB2  LEU  61           HB3      LEU  61  -4.531  -3.685 -12.029
  450    HB3  LEU  61           HB2      LEU  61  -3.571  -3.531 -10.560
  451    HG   LEU  61           HG       LEU  61  -6.526  -2.957 -10.819
  452   HD11  LEU  61          HD11      LEU  61  -6.725  -5.164 -10.415
  453   HD12  LEU  61          HD12      LEU  61  -6.023  -4.862  -8.826
  454   HD13  LEU  61          HD13      LEU  61  -4.986  -5.331 -10.173
  455   HD21  LEU  61          HD21      LEU  61  -6.197  -2.865  -8.219
  456   HD22  LEU  61          HD22      LEU  61  -5.800  -1.444  -9.185
  457   HD23  LEU  61          HD23      LEU  61  -4.516  -2.517  -8.626
  458    H    SER  62           H        SER  62  -1.801  -0.857 -10.997
  459    HA   SER  62           HA       SER  62  -0.626  -1.800 -13.469
  460    HB2  SER  62           HB3      SER  62  -1.980   0.666 -13.624
  461    HB3  SER  62           HB2      SER  62  -0.270   1.075 -13.529
  462    HG   SER  62           HG       SER  62  -0.493  -0.998 -15.144
  463    HA   PRO  63           HA       PRO  63   3.021  -1.404 -11.019
  464    HB2  PRO  63           HB2      PRO  63   4.867  -0.634 -12.950
  465    HB3  PRO  63           HB3      PRO  63   4.346  -2.302 -12.653
  466    HG2  PRO  63           HG3      PRO  63   3.503  -0.400 -14.765
  467    HG3  PRO  63           HG2      PRO  63   3.695  -2.159 -14.834
  468    HD2  PRO  63           HD3      PRO  63   1.255  -0.953 -14.672
  469    HD3  PRO  63           HD2      PRO  63   1.578  -2.560 -13.988
  470    H    GLU  64           H        GLU  64   2.164   1.284 -13.115
  471    HA   GLU  64           HA       GLU  64   3.958   3.232 -12.032
  472    HB2  GLU  64           HB3      GLU  64   1.222   3.564 -13.271
  473    HB3  GLU  64           HB2      GLU  64   2.332   4.886 -12.944
  474    HG2  GLU  64           HG3      GLU  64   4.017   3.794 -14.393
  475    HG3  GLU  64           HG2      GLU  64   2.848   2.534 -14.767
  476    H    HIS  65           H        HIS  65   0.934   1.894 -10.909
  477    HA   HIS  65           HA       HIS  65   0.288   3.964  -9.014
  478    HB2  HIS  65           HB3      HIS  65  -1.348   2.262  -9.752
  479    HB3  HIS  65           HB2      HIS  65  -0.396   1.008  -8.957
  480    HD1  HIS  65           HD1      HIS  65  -2.022   4.332  -7.983
  481    HD2  HIS  65           HD2      HIS  65  -1.226   0.570  -6.366
  482    HE1  HIS  65           HE1      HIS  65  -3.049   4.313  -5.666
  483    HE2  HIS  65           HE2      HIS  65  -2.571   2.030  -4.674
  484    H    PHE  66           H        PHE  66   2.500   1.260  -8.965
  485    HA   PHE  66           HA       PHE  66   2.985   1.662  -6.057
  486    HB2  PHE  66           HB3      PHE  66   3.967  -0.469  -7.980
  487    HB3  PHE  66           HB2      PHE  66   4.345  -0.415  -6.258
  488    HD1  PHE  66           HD2      PHE  66   2.623  -0.837  -4.567
  489    HD2  PHE  66           HD1      PHE  66   1.716  -0.999  -8.763
  490    HE1  PHE  66           HE2      PHE  66   0.473  -1.966  -4.059
  491    HE2  PHE  66           HE1      PHE  66  -0.433  -2.125  -8.255
  492    HZ   PHE  66           HZ       PHE  66  -1.055  -2.609  -5.903
  493    H    ARG  67           H        ARG  67   3.997   3.085  -8.787
  494    HA   ARG  67           HA       ARG  67   6.819   2.935  -8.786
  495    HB2  ARG  67           HB3      ARG  67   5.445   4.094 -10.521
  496    HB3  ARG  67           HB2      ARG  67   5.125   5.385  -9.369
  497    HG2  ARG  67           HG3      ARG  67   6.940   6.224 -10.597
  498    HG3  ARG  67           HG2      ARG  67   7.720   5.532  -9.180
  499    HD2  ARG  67           HD3      ARG  67   8.216   3.471 -10.438
  500    HD3  ARG  67           HD2      ARG  67   7.404   4.137 -11.853
  501    HE   ARG  67           HE       ARG  67  10.068   4.882 -10.879
  502   HH11  ARG  67          HH22      ARG  67   7.282   5.691 -12.743
  503   HH12  ARG  67          HH21      ARG  67   8.129   6.798 -13.772
  504   HH21  ARG  67          HH11      ARG  67  11.189   6.322 -12.213
  505   HH22  ARG  67          HH12      ARG  67  10.340   7.155 -13.472
  506    H    SER  68           H        SER  68   4.647   4.944  -6.804
  507    HA   SER  68           HA       SER  68   6.873   5.323  -4.899
  508    HB2  SER  68           HB3      SER  68   7.047   7.245  -6.460
  509    HB3  SER  68           HB2      SER  68   5.379   7.673  -6.092
  510    HG   SER  68           HG       SER  68   6.059   8.572  -4.326
  511    H    ILE  69           H        ILE  69   6.144   5.670  -2.779
  512    HA   ILE  69           HA       ILE  69   3.522   4.783  -2.117
  513    HB   ILE  69           HB       ILE  69   5.477   6.403  -0.460
  514   HG12  ILE  69          HG13      ILE  69   5.044   3.416  -0.566
  515   HG13  ILE  69          HG12      ILE  69   6.345   4.246  -1.406
  516   HG21  ILE  69          HG21      ILE  69   3.152   4.636   0.304
  517   HG22  ILE  69          HG22      ILE  69   3.218   6.390   0.472
  518   HG23  ILE  69          HG23      ILE  69   4.284   5.369   1.436
  519   HD11  ILE  69          HD11      ILE  69   7.336   3.566   0.628
  520   HD12  ILE  69          HD12      ILE  69   5.901   3.990   1.562
  521   HD13  ILE  69          HD13      ILE  69   6.929   5.260   0.898
  522    H    ARG  70           H        ARG  70   4.898   8.031  -2.484
  523    HA   ARG  70           HA       ARG  70   2.726   9.500  -1.385
  524    HB2  ARG  70           HB3      ARG  70   4.945  10.471  -1.975
  525    HB3  ARG  70           HB2      ARG  70   4.523  10.325  -3.682
  526    HG2  ARG  70           HG3      ARG  70   2.581  11.794  -3.345
  527    HG3  ARG  70           HG2      ARG  70   2.964  11.922  -1.628
  528    HD2  ARG  70           HD3      ARG  70   3.856  13.884  -2.710
  529    HD3  ARG  70           HD2      ARG  70   5.220  12.849  -2.289
  530    HE   ARG  70           HE       ARG  70   4.602  12.077  -4.869
  531   HH11  ARG  70          HH22      ARG  70   5.217  15.059  -3.251
  532   HH12  ARG  70          HH21      ARG  70   5.905  15.826  -4.643
  533   HH21  ARG  70          HH11      ARG  70   5.497  13.061  -6.696
  534   HH22  ARG  70          HH12      ARG  70   6.064  14.695  -6.593
  535    H    SER  71           H        SER  71   3.255   8.312  -4.712
  536    HA   SER  71           HA       SER  71   1.006   9.592  -5.889
  537    HB2  SER  71           HB3      SER  71   2.141   6.872  -6.596
  538    HB3  SER  71           HB2      SER  71   1.199   7.923  -7.645
  539    HG   SER  71           HG       SER  71   2.957   8.973  -8.080
  540    H    ILE  72           H        ILE  72   1.293   6.396  -4.327
  541    HA   ILE  72           HA       ILE  72  -1.430   5.627  -4.721
  542    HB   ILE  72           HB       ILE  72   0.524   4.819  -2.547
  543   HG12  ILE  72          HG13      ILE  72  -0.152   3.477  -5.183
  544   HG13  ILE  72          HG12      ILE  72   1.300   4.437  -4.901
  545   HG21  ILE  72          HG21      ILE  72  -1.780   4.256  -1.974
  546   HG22  ILE  72          HG22      ILE  72  -0.906   2.791  -2.423
  547   HG23  ILE  72          HG23      ILE  72  -2.023   3.538  -3.565
  548   HD11  ILE  72          HD11      ILE  72   2.308   2.613  -4.056
  549   HD12  ILE  72          HD12      ILE  72   0.823   1.679  -4.242
  550   HD13  ILE  72          HD13      ILE  72   1.114   2.586  -2.758
  551    H    ASP  73           H        ASP  73   0.226   7.402  -2.141
  552    HA   ASP  73           HA       ASP  73  -1.841   7.464  -0.228
  553    HB2  ASP  73           HB3      ASP  73   0.191   9.597  -0.947
  554    HB3  ASP  73           HB2      ASP  73  -0.786   9.599   0.519
  555    H    ALA  74           H        ALA  74  -1.324   9.527  -3.082
  556    HA   ALA  74           HA       ALA  74  -3.470  11.341  -2.505
  557    HB1  ALA  74           HB1      ALA  74  -1.513  11.451  -4.284
  558    HB2  ALA  74           HB2      ALA  74  -3.048  12.262  -4.594
  559    HB3  ALA  74           HB3      ALA  74  -2.714  10.694  -5.330
  560    H    PHE  75           H        PHE  75  -3.341   8.389  -4.512
  561    HA   PHE  75           HA       PHE  75  -6.067   8.542  -5.369
  562    HB2  PHE  75           HB3      PHE  75  -4.173   6.203  -5.057
  563    HB3  PHE  75           HB2      PHE  75  -5.787   6.048  -5.746
  564    HD1  PHE  75           HD1      PHE  75  -6.386   7.703  -7.685
  565    HD2  PHE  75           HD2      PHE  75  -2.379   6.785  -6.447
  566    HE1  PHE  75           HE1      PHE  75  -5.530   8.478  -9.880
  567    HE2  PHE  75           HE2      PHE  75  -1.521   7.563  -8.639
  568    HZ   PHE  75           HZ       PHE  75  -3.097   8.409 -10.356
  569    H    VAL  76           H        VAL  76  -4.542   6.886  -2.598
  570    HA   VAL  76           HA       VAL  76  -6.968   5.719  -1.622
  571    HB   VAL  76           HB       VAL  76  -4.369   6.446  -0.247
  572   HG11  VAL  76          HG11      VAL  76  -6.787   4.919   0.736
  573   HG12  VAL  76          HG12      VAL  76  -6.064   6.359   1.452
  574   HG13  VAL  76          HG13      VAL  76  -5.202   4.822   1.503
  575   HG21  VAL  76          HG21      VAL  76  -4.450   4.672  -2.099
  576   HG22  VAL  76          HG22      VAL  76  -5.458   3.725  -1.003
  577   HG23  VAL  76          HG23      VAL  76  -3.807   4.143  -0.544
  578    H    VAL  77           H        VAL  77  -5.270   8.763  -0.808
  579    HA   VAL  77           HA       VAL  77  -7.119   9.577   1.215
  580    HB   VAL  77           HB       VAL  77  -5.245  11.130  -0.582
  581   HG11  VAL  77          HG11      VAL  77  -5.673  12.824   1.432
  582   HG12  VAL  77          HG12      VAL  77  -7.239  12.013   1.452
  583   HG13  VAL  77          HG13      VAL  77  -6.688  12.831  -0.009
  584   HG21  VAL  77          HG21      VAL  77  -3.683  10.609   0.962
  585   HG22  VAL  77          HG22      VAL  77  -4.849   9.499   1.682
  586   HG23  VAL  77          HG23      VAL  77  -4.730  11.158   2.271
  587    H    GLY  78           H        GLY  78  -6.988  10.151  -2.282
  588    HA2  GLY  78           HA3      GLY  78  -9.131  11.999  -2.456
  589    HA3  GLY  78           HA2      GLY  78  -8.635  10.919  -3.757
  590    H    ALA  79           H        ALA  79  -9.162   8.465  -2.193
  591    HA   ALA  79           HA       ALA  79 -12.125   8.523  -2.451
  592    HB1  ALA  79           HB1      ALA  79 -10.546   6.891  -3.754
  593    HB2  ALA  79           HB2      ALA  79 -12.048   6.275  -3.064
  594    HB3  ALA  79           HB3      ALA  79 -10.517   6.001  -2.232
  595    H    THR  80           H        THR  80  -9.613   7.090  -0.335
  596    HA   THR  80           HA       THR  80 -11.263   7.659   2.011
  597    HB   THR  80           HB       THR  80 -10.715   4.775   1.297
  598    HG1  THR  80           HG1      THR  80 -12.685   4.700   0.519
  599   HG21  THR  80          HG21      THR  80 -11.124   5.931   3.766
  600   HG22  THR  80          HG22      THR  80 -11.455   4.245   3.369
  601   HG23  THR  80          HG23      THR  80 -12.751   5.438   3.300
  602    H    THR  81           H        THR  81  -9.993   7.776   3.842
  603    HA   THR  81           HA       THR  81  -7.193   6.756   3.620
  604    HB   THR  81           HB       THR  81  -7.096   9.157   3.451
  605    HG1  THR  81           HG1      THR  81  -6.588   9.177   6.102
  606   HG21  THR  81          HG21      THR  81  -8.184  10.120   5.851
  607   HG22  THR  81          HG22      THR  81  -9.376   8.977   5.232
  608   HG23  THR  81          HG23      THR  81  -8.849  10.330   4.231
  609    HA   PRO  82           HA       PRO  82  -9.025   5.015   7.451
  610    HB2  PRO  82           HB2      PRO  82  -8.482   2.432   6.991
  611    HB3  PRO  82           HB3      PRO  82  -9.824   3.253   6.168
  612    HG2  PRO  82           HG3      PRO  82  -7.157   2.479   5.128
  613    HG3  PRO  82           HG2      PRO  82  -8.719   2.556   4.296
  614    HD2  PRO  82           HD3      PRO  82  -6.677   4.525   4.221
  615    HD3  PRO  82           HD2      PRO  82  -8.339   4.702   3.617
  616    HA   PRO  83           HA       PRO  83  -4.716   4.845   9.019
  617    HB2  PRO  83           HB2      PRO  83  -5.227   5.815  11.505
  618    HB3  PRO  83           HB3      PRO  83  -5.073   6.865  10.083
  619    HG2  PRO  83           HG3      PRO  83  -7.501   5.986  11.531
  620    HG3  PRO  83           HG2      PRO  83  -7.168   7.512  10.698
  621    HD2  PRO  83           HD3      PRO  83  -8.692   5.401   9.665
  622    HD3  PRO  83           HD2      PRO  83  -7.995   6.730   8.714
  623    H    VAL  84           H        VAL  84  -3.786   3.065   9.994
  624    HA   VAL  84           HA       VAL  84  -5.430   1.516  11.949
  625    HB   VAL  84           HB       VAL  84  -5.475   0.446   9.674
  626   HG11  VAL  84          HG11      VAL  84  -2.849   1.220   9.545
  627   HG12  VAL  84          HG12      VAL  84  -3.576  -0.007   8.507
  628   HG13  VAL  84          HG13      VAL  84  -2.690  -0.488   9.954
  629   HG21  VAL  84          HG21      VAL  84  -3.930  -1.089  11.789
  630   HG22  VAL  84          HG22      VAL  84  -4.891  -1.793  10.489
  631   HG23  VAL  84          HG23      VAL  84  -5.681  -0.878  11.774
  632    H    GLU  85           H        GLU  85  -4.252   0.696  13.680
  633    HA   GLU  85           HA       GLU  85  -1.716   1.884  14.274
  634    HB2  GLU  85           HB3      GLU  85  -3.111  -0.507  15.514
  635    HB3  GLU  85           HB2      GLU  85  -1.690   0.284  16.195
  636    HG2  GLU  85           HG3      GLU  85  -3.473   1.325  17.327
  637    HG3  GLU  85           HG2      GLU  85  -3.093   2.464  16.036
  638    H    ALA  86           H        ALA  86  -2.612  -1.271  12.933
  639    HA   ALA  86           HA       ALA  86   0.202  -1.628  12.090
  640    HB1  ALA  86           HB1      ALA  86  -0.975  -4.094  13.198
  641    HB2  ALA  86           HB2      ALA  86  -0.629  -2.852  14.402
  642    HB3  ALA  86           HB3      ALA  86   0.661  -3.455  13.362
  643    H    LYS  87           H        LYS  87   0.403  -3.291  10.409
  644    HA   LYS  87           HA       LYS  87  -1.864  -3.290   8.601
  645    HB2  LYS  87           HB3      LYS  87   0.573  -3.314   7.910
  646    HB3  LYS  87           HB2      LYS  87   0.634  -4.997   8.431
  647    HG2  LYS  87           HG3      LYS  87  -1.211  -5.531   6.854
  648    HG3  LYS  87           HG2      LYS  87  -1.197  -3.856   6.300
  649    HD2  LYS  87           HD3      LYS  87   1.260  -4.177   5.746
  650    HD3  LYS  87           HD2      LYS  87   1.022  -5.898   6.043
  651    HE2  LYS  87           HE3      LYS  87  -0.457  -4.218   3.995
  652    HE3  LYS  87           HE2      LYS  87   0.779  -5.427   3.650
  653    HZ1  LYS  87           HZ1      LYS  87  -1.274  -6.494   3.346
  654    HZ2  LYS  87           HZ2      LYS  87  -1.926  -5.855   4.775
  655    HZ3  LYS  87           HZ3      LYS  87  -0.711  -7.041   4.852
  656    H    LEU  88           H        LEU  88  -3.412  -4.862   8.348
  657    HA   LEU  88           HA       LEU  88  -3.249  -7.207  10.174
  658    HB2  LEU  88           HB3      LEU  88  -5.277  -5.735  10.260
  659    HB3  LEU  88           HB2      LEU  88  -5.619  -6.176   8.588
  660    HG   LEU  88           HG       LEU  88  -5.625  -8.594   9.308
  661   HD11  LEU  88          HD11      LEU  88  -4.835  -7.321  11.815
  662   HD12  LEU  88          HD12      LEU  88  -4.750  -9.018  11.346
  663   HD13  LEU  88          HD13      LEU  88  -6.242  -8.363  12.018
  664   HD21  LEU  88          HD21      LEU  88  -7.804  -7.923   9.078
  665   HD22  LEU  88          HD22      LEU  88  -7.584  -6.509  10.108
  666   HD23  LEU  88          HD23      LEU  88  -7.810  -8.101  10.832
  667    H    GLN  89           H        GLN  89  -2.937  -9.228   9.345
  668    HA   GLN  89           HA       GLN  89  -2.423  -9.547   6.503
  669    HB2  GLN  89           HB3      GLN  89  -2.642 -11.585   8.741
  670    HB3  GLN  89           HB2      GLN  89  -2.086 -11.946   7.106
  671    HG2  GLN  89           HG3      GLN  89  -0.236 -10.352   7.359
  672    HG3  GLN  89           HG2      GLN  89  -0.802  -9.933   8.976
  673   HE21  GLN  89          HE22      GLN  89   1.809 -11.011   8.607
  674   HE22  GLN  89          HE21      GLN  89   1.857 -12.566   9.285
  675    H1   PN7 101           3HO      SAT  38   2.278  -7.042 -14.646
  676    H2   PN7 101           1H1      SAT  38   4.069  -7.269 -12.635
  677    H3   PN7 101           2H1      SAT  38   4.278  -6.065 -11.366
  678    H5   PN7 101          3HE1      SAT  38   3.881  -4.378 -13.496
  679    H6   PN7 101          1HE1      SAT  38   2.397  -4.651 -14.407
  680    H7   PN7 101          2HE1      SAT  38   3.664  -5.877 -14.399
  681    H8   PN7 101          2HE2      SAT  38   1.530  -3.917 -12.151
  682    H9   PN7 101          3HE2      SAT  38   2.933  -4.233 -11.133
  683    H10  PN7 101          1HE2      SAT  38   1.428  -5.110 -10.857
  684    H11  PN7 101           3H       SAT  38   0.937  -7.148 -12.157
  685    H12  PN7 101           5H       SAT  38  -0.397  -4.037 -12.643
  686    H13  PN7 101           2H6      SAT  38  -2.033  -5.073 -11.261
  687    H14  PN7 101           1H6      SAT  38  -0.644  -6.091 -10.883
  688    H15  PN7 101           1H7      SAT  38  -1.245  -7.597 -12.750
  689    H16  PN7 101           2H7      SAT  38  -2.639  -6.581 -13.117
  690    H17  PN7 101           9H       SAT  38  -1.198  -8.248 -10.265
  691    H18  PN7 101          2H10      SAT  38  -3.923  -9.309  -9.694
  692    H19  PN7 101          1H10      SAT  38  -2.531  -9.466  -8.623
  693    H20  PN7 101          1H11      SAT  38  -3.324 -11.123 -10.949
  694    H21  PN7 101          2H11      SAT  38  -2.433 -11.576  -9.496
  695    H22  PN7 101          2HS1      SAT  38  -0.262 -10.619 -10.558
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1   0.872  15.734   2.676
    2    H2   MET   1           H2       MET   1  -0.729  15.222   2.431
    3    H3   MET   1           H3       MET   1   0.482  14.793   1.320
    4    HA   MET   1           HA       MET   1   0.635  12.886   2.428
    5    HB2  MET   1           HB3      MET   1   1.874  14.848   4.364
    6    HB3  MET   1           HB2      MET   1   1.943  13.102   4.614
    7    HG2  MET   1           HG3      MET   1   2.982  12.837   2.381
    8    HG3  MET   1           HG2      MET   1   2.962  14.589   2.179
    9    HE1  MET   1           HE1      MET   1   3.746  16.148   3.802
   10    HE2  MET   1           HE2      MET   1   5.287  16.037   4.647
   11    HE3  MET   1           HE3      MET   1   3.802  15.479   5.430
   12    H    GLN   2           H        GLN   2  -1.709  12.656   2.660
   13    HA   GLN   2           HA       GLN   2  -2.785  13.257   5.362
   14    HB2  GLN   2           HB3      GLN   2  -4.165  13.806   3.359
   15    HB3  GLN   2           HB2      GLN   2  -4.174  12.096   2.925
   16    HG2  GLN   2           HG3      GLN   2  -5.290  11.537   5.030
   17    HG3  GLN   2           HG2      GLN   2  -5.230  13.228   5.532
   18   HE21  GLN   2          HE22      GLN   2  -7.758  12.180   5.427
   19   HE22  GLN   2          HE21      GLN   2  -8.593  12.724   4.053
   20    H    HIS   3           H        HIS   3  -2.593  11.685   6.886
   21    HA   HIS   3           HA       HIS   3  -2.309   9.554   7.835
   22    HB2  HIS   3           HB3      HIS   3  -3.909   8.691   5.403
   23    HB3  HIS   3           HB2      HIS   3  -3.711   7.780   6.899
   24    HD1  HIS   3           HD1      HIS   3  -6.542   8.594   6.017
   25    HD2  HIS   3           HD2      HIS   3  -4.172  10.916   8.545
   26    HE1  HIS   3           HE1      HIS   3  -8.126  10.082   7.321
   27    HE2  HIS   3           HE2      HIS   3  -6.694  11.498   8.863
   28    H    ALA   4           H        ALA   4  -0.335  10.575   5.885
   29    HA   ALA   4           HA       ALA   4   0.551   8.534   4.104
   30    HB1  ALA   4           HB1      ALA   4   2.633   9.737   4.016
   31    HB2  ALA   4           HB2      ALA   4   2.323  10.499   5.576
   32    HB3  ALA   4           HB3      ALA   4   1.350  10.937   4.172
   33    H    SER   5           H        SER   5   1.148   9.069   7.552
   34    HA   SER   5           HA       SER   5   3.245   7.155   7.861
   35    HB2  SER   5           HB3      SER   5   2.742   7.239  10.228
   36    HB3  SER   5           HB2      SER   5   2.555   8.863   9.573
   37    HG   SER   5           HG       SER   5   0.808   7.750  10.968
   38    H    VAL   6           H        VAL   6  -0.261   6.803   7.733
   39    HA   VAL   6           HA       VAL   6  -0.384   4.123   8.736
   40    HB   VAL   6           HB       VAL   6  -2.181   5.589   6.800
   41   HG11  VAL   6          HG11      VAL   6  -3.831   3.770   7.653
   42   HG12  VAL   6          HG12      VAL   6  -2.376   2.873   8.086
   43   HG13  VAL   6          HG13      VAL   6  -2.669   3.319   6.406
   44   HG21  VAL   6          HG21      VAL   6  -2.813   6.665   8.684
   45   HG22  VAL   6          HG22      VAL   6  -1.828   5.604   9.689
   46   HG23  VAL   6          HG23      VAL   6  -3.466   5.127   9.246
   47    H    ILE   7           H        ILE   7   0.058   5.432   5.473
   48    HA   ILE   7           HA       ILE   7  -0.057   2.969   4.064
   49    HB   ILE   7           HB       ILE   7   1.622   5.418   3.455
   50   HG12  ILE   7          HG13      ILE   7  -1.142   4.650   2.468
   51   HG13  ILE   7          HG12      ILE   7  -0.849   5.800   3.774
   52   HG21  ILE   7          HG21      ILE   7   0.649   3.134   1.709
   53   HG22  ILE   7          HG22      ILE   7   2.324   3.466   2.151
   54   HG23  ILE   7          HG23      ILE   7   1.446   4.589   1.111
   55   HD11  ILE   7          HD11      ILE   7  -1.148   6.971   1.628
   56   HD12  ILE   7          HD12      ILE   7   0.189   6.053   0.938
   57   HD13  ILE   7          HD13      ILE   7   0.488   7.199   2.245
   58    H    ALA   8           H        ALA   8   2.696   4.622   5.606
   59    HA   ALA   8           HA       ALA   8   4.679   2.724   4.794
   60    HB1  ALA   8           HB1      ALA   8   5.797   3.586   7.018
   61    HB2  ALA   8           HB2      ALA   8   4.468   4.745   7.005
   62    HB3  ALA   8           HB3      ALA   8   5.601   4.688   5.655
   63    H    GLN   9           H        GLN   9   2.747   2.975   7.777
   64    HA   GLN   9           HA       GLN   9   3.783   0.524   8.883
   65    HB2  GLN   9           HB3      GLN   9   2.524   1.030  10.710
   66    HB3  GLN   9           HB2      GLN   9   2.376   2.598   9.924
   67    HG2  GLN   9           HG3      GLN   9   0.155   2.013  10.454
   68    HG3  GLN   9           HG2      GLN   9   0.305   1.595   8.753
   69   HE21  GLN   9          HE22      GLN   9  -0.918  -0.295   8.498
   70   HE22  GLN   9          HE21      GLN   9  -0.784  -1.668   9.487
   71    H    PHE  10           H        PHE  10   1.072   1.316   6.790
   72    HA   PHE  10           HA       PHE  10  -0.315  -1.172   6.987
   73    HB2  PHE  10           HB3      PHE  10  -1.172   0.939   5.903
   74    HB3  PHE  10           HB2      PHE  10  -0.106   0.603   4.541
   75    HD1  PHE  10           HD2      PHE  10  -3.110  -0.470   6.376
   76    HD2  PHE  10           HD1      PHE  10  -0.540  -1.268   3.029
   77    HE1  PHE  10           HE2      PHE  10  -4.826  -1.985   5.421
   78    HE2  PHE  10           HE1      PHE  10  -2.257  -2.781   2.073
   79    HZ   PHE  10           HZ       PHE  10  -4.398  -3.138   3.270
   80    H    VAL  11           H        VAL  11   2.091  -0.077   4.575
   81    HA   VAL  11           HA       VAL  11   2.258  -2.696   3.336
   82    HB   VAL  11           HB       VAL  11   2.803  -0.459   2.238
   83   HG11  VAL  11          HG11      VAL  11   5.477  -0.863   3.596
   84   HG12  VAL  11          HG12      VAL  11   4.259   0.255   4.208
   85   HG13  VAL  11          HG13      VAL  11   4.962   0.506   2.611
   86   HG21  VAL  11          HG21      VAL  11   5.169  -1.727   1.458
   87   HG22  VAL  11          HG22      VAL  11   3.574  -1.975   0.747
   88   HG23  VAL  11          HG23      VAL  11   4.143  -3.043   2.030
   89    H    VAL  12           H        VAL  12   4.242  -0.941   5.704
   90    HA   VAL  12           HA       VAL  12   6.403  -2.778   5.832
   91    HB   VAL  12           HB       VAL  12   5.226  -0.937   7.899
   92   HG11  VAL  12          HG11      VAL  12   7.458  -2.899   8.044
   93   HG12  VAL  12          HG12      VAL  12   6.415  -2.290   9.329
   94   HG13  VAL  12          HG13      VAL  12   7.758  -1.308   8.743
   95   HG21  VAL  12          HG21      VAL  12   6.401  -0.187   5.661
   96   HG22  VAL  12          HG22      VAL  12   7.875  -0.621   6.527
   97   HG23  VAL  12          HG23      VAL  12   6.805   0.621   7.176
   98    H    GLU  13           H        GLU  13   3.331  -2.724   7.603
   99    HA   GLU  13           HA       GLU  13   3.876  -4.870   9.379
  100    HB2  GLU  13           HB3      GLU  13   1.336  -3.821   8.157
  101    HB3  GLU  13           HB2      GLU  13   1.338  -5.143   9.321
  102    HG2  GLU  13           HG3      GLU  13   2.742  -2.536   9.890
  103    HG3  GLU  13           HG2      GLU  13   1.037  -2.771  10.255
  104    H    GLU  14           H        GLU  14   2.976  -4.794   6.012
  105    HA   GLU  14           HA       GLU  14   2.103  -7.503   5.759
  106    HB2  GLU  14           HB3      GLU  14   1.678  -5.757   4.059
  107    HB3  GLU  14           HB2      GLU  14   3.398  -5.735   3.670
  108    HG2  GLU  14           HG3      GLU  14   2.221  -7.157   2.071
  109    HG3  GLU  14           HG2      GLU  14   3.264  -8.154   3.084
  110    H    PHE  15           H        PHE  15   5.359  -6.094   5.761
  111    HA   PHE  15           HA       PHE  15   6.388  -8.891   5.514
  112    HB2  PHE  15           HB3      PHE  15   8.332  -8.010   4.245
  113    HB3  PHE  15           HB2      PHE  15   6.804  -7.798   3.394
  114    HD1  PHE  15           HD2      PHE  15   5.720  -5.564   3.290
  115    HD2  PHE  15           HD1      PHE  15   9.604  -6.125   5.034
  116    HE1  PHE  15           HE2      PHE  15   6.139  -3.124   3.144
  117    HE2  PHE  15           HE1      PHE  15  10.024  -3.686   4.887
  118    HZ   PHE  15           HZ       PHE  15   8.291  -2.185   3.941
  119    H    LEU  16           H        LEU  16   6.912  -5.669   6.944
  120    HA   LEU  16           HA       LEU  16   8.792  -7.027   8.849
  121    HB2  LEU  16           HB3      LEU  16   9.413  -4.941   7.039
  122    HB3  LEU  16           HB2      LEU  16   9.388  -4.216   8.642
  123    HG   LEU  16           HG       LEU  16  10.843  -6.113   9.439
  124   HD11  LEU  16          HD11      LEU  16  10.144  -7.213   6.970
  125   HD12  LEU  16          HD12      LEU  16  11.374  -7.829   8.073
  126   HD13  LEU  16          HD13      LEU  16  11.829  -6.734   6.767
  127   HD21  LEU  16          HD21      LEU  16  12.367  -4.471   9.147
  128   HD22  LEU  16          HD22      LEU  16  11.531  -3.874   7.714
  129   HD23  LEU  16          HD23      LEU  16  12.712  -5.176   7.568
  130    HA   PRO  17           HA       PRO  17   5.629  -4.876  11.387
  131    HB2  PRO  17           HB2      PRO  17   4.597  -7.192  12.515
  132    HB3  PRO  17           HB3      PRO  17   3.955  -6.393  11.072
  133    HG2  PRO  17           HG3      PRO  17   5.224  -8.931  11.245
  134    HG3  PRO  17           HG2      PRO  17   4.608  -8.107   9.808
  135    HD2  PRO  17           HD3      PRO  17   7.398  -8.291  10.799
  136    HD3  PRO  17           HD2      PRO  17   6.795  -8.007   9.150
  137    H    ASP  18           H        ASP  18   8.011  -7.341  12.159
  138    HA   ASP  18           HA       ASP  18   7.797  -7.030  15.042
  139    HB2  ASP  18           HB3      ASP  18   9.815  -8.407  15.113
  140    HB3  ASP  18           HB2      ASP  18   8.672  -9.096  13.964
  141    H    VAL  19           H        VAL  19   8.918  -5.023  12.662
  142    HA   VAL  19           HA       VAL  19  10.907  -3.734  14.489
  143    HB   VAL  19           HB       VAL  19  10.644  -3.453  11.476
  144   HG11  VAL  19          HG11      VAL  19  13.186  -2.672  12.492
  145   HG12  VAL  19          HG12      VAL  19  11.961  -1.882  13.484
  146   HG13  VAL  19          HG13      VAL  19  11.964  -1.650  11.736
  147   HG21  VAL  19          HG21      VAL  19  12.017  -5.400  13.177
  148   HG22  VAL  19          HG22      VAL  19  13.123  -4.560  12.090
  149   HG23  VAL  19          HG23      VAL  19  11.739  -5.435  11.435
  150    H    ALA  20           H        ALA  20  10.578  -1.479  14.913
  151    HA   ALA  20           HA       ALA  20   7.888  -0.564  14.844
  152    HB1  ALA  20           HB1      ALA  20   9.280   1.768  14.983
  153    HB2  ALA  20           HB2      ALA  20  10.535   0.620  15.450
  154    HB3  ALA  20           HB3      ALA  20   9.030   0.703  16.366
  155    HA   PRO  21           HA       PRO  21   7.980   0.271  10.387
  156    HB2  PRO  21           HB2      PRO  21   5.391   1.521  10.559
  157    HB3  PRO  21           HB3      PRO  21   5.815  -0.049   9.868
  158    HG2  PRO  21           HG3      PRO  21   4.412   0.458  12.256
  159    HG3  PRO  21           HG2      PRO  21   4.938  -1.101  11.611
  160    HD2  PRO  21           HD3      PRO  21   5.997   0.356  13.878
  161    HD3  PRO  21           HD2      PRO  21   6.421  -1.267  13.302
  162    H    ALA  22           H        ALA  22   7.325   2.598  12.912
  163    HA   ALA  22           HA       ALA  22   7.420   4.941  11.208
  164    HB1  ALA  22           HB1      ALA  22   7.903   4.655  14.189
  165    HB2  ALA  22           HB2      ALA  22   6.355   5.009  13.423
  166    HB3  ALA  22           HB3      ALA  22   7.670   6.181  13.337
  167    H    ASP  23           H        ASP  23   9.818   2.807  12.425
  168    HA   ASP  23           HA       ASP  23  11.945   4.858  12.166
  169    HB2  ASP  23           HB3      ASP  23  13.430   3.227  13.176
  170    HB3  ASP  23           HB2      ASP  23  11.955   3.307  14.136
  171    H    VAL  24           H        VAL  24  10.293   3.159  10.041
  172    HA   VAL  24           HA       VAL  24  12.620   2.121   8.512
  173    HB   VAL  24           HB       VAL  24   9.654   1.941   7.891
  174   HG11  VAL  24          HG11      VAL  24  10.685   1.538   5.854
  175   HG12  VAL  24          HG12      VAL  24  10.718  -0.085   6.545
  176   HG13  VAL  24          HG13      VAL  24  12.161   0.928   6.604
  177   HG21  VAL  24          HG21      VAL  24  11.538  -0.095   9.127
  178   HG22  VAL  24          HG22      VAL  24   9.851  -0.382   8.700
  179   HG23  VAL  24          HG23      VAL  24  10.254   0.759   9.982
  180    H    ASP  25           H        ASP  25  13.306   3.130   6.633
  181    HA   ASP  25           HA       ASP  25  12.596   5.877   6.229
  182    HB2  ASP  25           HB3      ASP  25  14.782   4.827   5.558
  183    HB3  ASP  25           HB2      ASP  25  13.932   4.015   4.243
  184    H    VAL  26           H        VAL  26  10.297   5.900   5.968
  185    HA   VAL  26           HA       VAL  26   8.863   4.345   4.053
  186    HB   VAL  26           HB       VAL  26   7.064   5.895   4.369
  187   HG11  VAL  26          HG11      VAL  26   7.769   4.581   6.382
  188   HG12  VAL  26          HG12      VAL  26   6.984   6.106   6.794
  189   HG13  VAL  26          HG13      VAL  26   8.738   5.961   6.897
  190   HG21  VAL  26          HG21      VAL  26   9.263   7.815   5.173
  191   HG22  VAL  26          HG22      VAL  26   7.560   8.126   5.515
  192   HG23  VAL  26          HG23      VAL  26   8.113   7.983   3.846
  193    H    ASP  27           H        ASP  27  11.362   6.317   3.382
  194    HA   ASP  27           HA       ASP  27  10.176   7.464   0.906
  195    HB2  ASP  27           HB3      ASP  27  11.570   8.927   2.404
  196    HB3  ASP  27           HB2      ASP  27  12.950   7.885   2.058
  197    H    LEU  28           H        LEU  28  11.155   4.564   1.643
  198    HA   LEU  28           HA       LEU  28  13.208   4.162  -0.439
  199    HB2  LEU  28           HB3      LEU  28  13.287   2.932   1.746
  200    HB3  LEU  28           HB2      LEU  28  11.802   2.107   1.283
  201    HG   LEU  28           HG       LEU  28  12.996   1.348  -0.822
  202   HD11  LEU  28          HD11      LEU  28  15.653   1.412   0.089
  203   HD12  LEU  28          HD12      LEU  28  15.047   3.049   0.335
  204   HD13  LEU  28          HD13      LEU  28  14.981   2.316  -1.267
  205   HD21  LEU  28          HD21      LEU  28  14.164  -0.473   0.316
  206   HD22  LEU  28          HD22      LEU  28  12.678  -0.095   1.188
  207   HD23  LEU  28          HD23      LEU  28  14.231   0.469   1.806
  208    H    ASP  29           H        ASP  29  12.789   3.336  -2.446
  209    HA   ASP  29           HA       ASP  29  10.115   3.326  -3.442
  210    HB2  ASP  29           HB3      ASP  29  11.120   2.219  -5.455
  211    HB3  ASP  29           HB2      ASP  29  11.993   3.668  -4.956
  212    H    LEU  30           H        LEU  30   8.574   1.812  -3.098
  213    HA   LEU  30           HA       LEU  30   9.138  -0.635  -1.710
  214    HB2  LEU  30           HB3      LEU  30   6.666   0.069  -3.324
  215    HB3  LEU  30           HB2      LEU  30   6.783  -1.180  -2.084
  216    HG   LEU  30           HG       LEU  30   7.111   1.806  -1.669
  217   HD11  LEU  30          HD11      LEU  30   4.878  -0.069  -1.484
  218   HD12  LEU  30          HD12      LEU  30   4.864   1.694  -1.444
  219   HD13  LEU  30          HD13      LEU  30   5.160   0.780   0.035
  220   HD21  LEU  30          HD21      LEU  30   7.056   0.880   0.813
  221   HD22  LEU  30          HD22      LEU  30   8.575   0.930  -0.082
  222   HD23  LEU  30          HD23      LEU  30   7.682  -0.584   0.055
  223    H    VAL  31           H        VAL  31   9.762   0.177  -4.885
  224    HA   VAL  31           HA       VAL  31   8.921  -2.005  -6.421
  225    HB   VAL  31           HB       VAL  31  11.507  -0.441  -6.498
  226   HG11  VAL  31          HG11      VAL  31  12.291  -2.250  -7.664
  227   HG12  VAL  31          HG12      VAL  31  11.327  -1.554  -8.967
  228   HG13  VAL  31          HG13      VAL  31  10.672  -2.868  -7.990
  229   HG21  VAL  31          HG21      VAL  31   9.492  -0.425  -8.683
  230   HG22  VAL  31          HG22      VAL  31  10.427   0.907  -8.004
  231   HG23  VAL  31          HG23      VAL  31   8.994   0.316  -7.162
  232    H    ASP  32           H        ASP  32  11.744  -1.792  -4.271
  233    HA   ASP  32           HA       ASP  32  12.837  -4.358  -4.796
  234    HB2  ASP  32           HB3      ASP  32  12.716  -2.787  -2.198
  235    HB3  ASP  32           HB2      ASP  32  13.700  -4.232  -2.432
  236    H    ASN  33           H        ASN  33  10.161  -3.308  -2.782
  237    HA   ASN  33           HA       ASN  33   9.612  -6.021  -1.803
  238    HB2  ASN  33           HB3      ASN  33   8.029  -3.455  -1.532
  239    HB3  ASN  33           HB2      ASN  33   7.690  -4.959  -0.679
  240   HD21  ASN  33          HD22      ASN  33   9.591  -2.074  -0.618
  241   HD22  ASN  33          HD21      ASN  33  10.556  -2.479   0.717
  242    H    GLY  34           H        GLY  34   9.478  -4.985  -4.728
  243    HA2  GLY  34           HA3      GLY  34   6.963  -4.837  -5.812
  244    HA3  GLY  34           HA2      GLY  34   8.247  -5.763  -6.588
  245    H    VAL  35           H        VAL  35   8.190  -7.482  -3.978
  246    HA   VAL  35           HA       VAL  35   6.661  -9.638  -5.017
  247    HB   VAL  35           HB       VAL  35   7.451  -8.966  -2.166
  248   HG11  VAL  35          HG11      VAL  35   5.709 -11.077  -3.252
  249   HG12  VAL  35          HG12      VAL  35   5.890 -10.513  -1.591
  250   HG13  VAL  35          HG13      VAL  35   7.030 -11.684  -2.255
  251   HG21  VAL  35          HG21      VAL  35   8.892  -9.916  -4.400
  252   HG22  VAL  35          HG22      VAL  35   8.639 -11.319  -3.362
  253   HG23  VAL  35          HG23      VAL  35   9.435  -9.882  -2.722
  254    H    ILE  36           H        ILE  36   5.805  -7.007  -2.821
  255    HA   ILE  36           HA       ILE  36   3.119  -7.924  -2.267
  256    HB   ILE  36           HB       ILE  36   4.629  -6.134  -1.054
  257   HG12  ILE  36          HG13      ILE  36   1.648  -5.775  -1.490
  258   HG13  ILE  36          HG12      ILE  36   2.406  -6.817  -0.288
  259   HG21  ILE  36          HG21      ILE  36   2.984  -4.298  -2.791
  260   HG22  ILE  36          HG22      ILE  36   4.612  -4.777  -3.271
  261   HG23  ILE  36          HG23      ILE  36   4.361  -3.899  -1.762
  262   HD11  ILE  36          HD11      ILE  36   3.543  -4.760   0.645
  263   HD12  ILE  36          HD12      ILE  36   1.791  -4.784   0.842
  264   HD13  ILE  36          HD13      ILE  36   2.523  -3.798  -0.425
  265    H    ASP  37           H        ASP  37   4.592  -6.130  -4.864
  266    HA   ASP  37           HA       ASP  37   2.335  -4.719  -5.831
  267    HB2  ASP  37           HB3      ASP  37   4.694  -5.863  -7.340
  268    HB3  ASP  37           HB2      ASP  37   3.502  -4.780  -8.052
  269    H    SER  38           H        SER  38   3.148  -8.135  -6.188
  270    HA   SER  38           HA       SER  38   0.782  -8.400  -7.997
  271    HB2  SER  38           2HB      SER  38   3.103 -10.304  -7.632
  272    HB3  SER  38           1HB      SER  38   1.784 -10.484  -8.785
  273    H    LEU  39           H        LEU  39   2.464 -10.528  -5.652
  274    HA   LEU  39           HA       LEU  39   0.068 -12.006  -5.098
  275    HB2  LEU  39           HB3      LEU  39   2.662 -11.792  -3.572
  276    HB3  LEU  39           HB2      LEU  39   1.386 -12.937  -3.177
  277    HG   LEU  39           HG       LEU  39   1.698 -13.374  -5.865
  278   HD11  LEU  39          HD11      LEU  39   4.516 -13.175  -4.838
  279   HD12  LEU  39          HD12      LEU  39   3.750 -11.771  -5.582
  280   HD13  LEU  39          HD13      LEU  39   3.946 -13.261  -6.505
  281   HD21  LEU  39          HD21      LEU  39   3.188 -15.326  -5.044
  282   HD22  LEU  39          HD22      LEU  39   1.563 -15.204  -4.370
  283   HD23  LEU  39          HD23      LEU  39   2.950 -14.650  -3.433
  284    H    GLY  40           H        GLY  40   1.809  -9.569  -3.167
  285    HA2  GLY  40           HA3      GLY  40  -0.200  -9.510  -1.096
  286    HA3  GLY  40           HA2      GLY  40   1.069  -8.311  -1.330
  287    H    LEU  41           H        LEU  41   0.408  -7.607  -4.009
  288    HA   LEU  41           HA       LEU  41  -1.501  -5.556  -3.574
  289    HB2  LEU  41           HB3      LEU  41   0.203  -5.601  -5.410
  290    HB3  LEU  41           HB2      LEU  41  -0.766  -6.826  -6.225
  291    HG   LEU  41           HG       LEU  41  -2.707  -5.093  -5.963
  292   HD11  LEU  41          HD11      LEU  41  -1.777  -2.740  -6.122
  293   HD12  LEU  41          HD12      LEU  41  -0.232  -3.398  -5.588
  294   HD13  LEU  41          HD13      LEU  41  -1.641  -3.491  -4.534
  295   HD21  LEU  41          HD21      LEU  41  -1.646  -5.814  -8.101
  296   HD22  LEU  41          HD22      LEU  41  -0.424  -4.559  -7.886
  297   HD23  LEU  41          HD23      LEU  41  -2.115  -4.114  -8.123
  298    H    LEU  42           H        LEU  42  -1.854  -8.786  -5.018
  299    HA   LEU  42           HA       LEU  42  -4.571  -8.504  -5.824
  300    HB2  LEU  42           HB3      LEU  42  -3.067 -10.448  -6.395
  301    HB3  LEU  42           HB2      LEU  42  -3.274 -11.023  -4.745
  302    HG   LEU  42           HG       LEU  42  -5.839 -10.758  -5.297
  303   HD11  LEU  42          HD11      LEU  42  -4.887  -9.853  -7.644
  304   HD12  LEU  42          HD12      LEU  42  -6.432 -10.693  -7.510
  305   HD13  LEU  42          HD13      LEU  42  -4.992 -11.570  -8.026
  306   HD21  LEU  42          HD21      LEU  42  -3.986 -12.973  -6.201
  307   HD22  LEU  42          HD22      LEU  42  -5.741 -13.125  -6.294
  308   HD23  LEU  42          HD23      LEU  42  -4.957 -12.901  -4.730
  309    H    LYS  43           H        LYS  43  -3.120  -9.512  -2.737
  310    HA   LYS  43           HA       LYS  43  -5.612  -9.999  -1.396
  311    HB2  LYS  43           HB3      LYS  43  -2.896  -9.221  -0.318
  312    HB3  LYS  43           HB2      LYS  43  -4.242  -9.768   0.674
  313    HG2  LYS  43           HG3      LYS  43  -4.302 -11.888  -0.645
  314    HG3  LYS  43           HG2      LYS  43  -2.868 -11.345  -1.518
  315    HD2  LYS  43           HD3      LYS  43  -1.664 -11.163   0.667
  316    HD3  LYS  43           HD2      LYS  43  -3.080 -11.848   1.464
  317    HE2  LYS  43           HE3      LYS  43  -2.732 -13.689  -0.481
  318    HE3  LYS  43           HE2      LYS  43  -1.060 -13.169  -0.268
  319    HZ1  LYS  43           HZ1      LYS  43  -1.542 -13.457   2.209
  320    HZ2  LYS  43           HZ2      LYS  43  -1.319 -14.857   1.279
  321    HZ3  LYS  43           HZ3      LYS  43  -2.887 -14.369   1.714
  322    H    VAL  44           H        VAL  44  -3.575  -7.131  -1.802
  323    HA   VAL  44           HA       VAL  44  -4.995  -5.435   0.021
  324    HB   VAL  44           HB       VAL  44  -3.342  -4.810  -2.438
  325   HG11  VAL  44          HG11      VAL  44  -4.257  -2.743  -2.286
  326   HG12  VAL  44          HG12      VAL  44  -3.307  -2.576  -0.810
  327   HG13  VAL  44          HG13      VAL  44  -4.991  -3.091  -0.722
  328   HG21  VAL  44          HG21      VAL  44  -1.553  -4.490  -0.932
  329   HG22  VAL  44          HG22      VAL  44  -2.366  -5.922  -0.300
  330   HG23  VAL  44          HG23      VAL  44  -2.631  -4.351   0.456
  331    H    ILE  45           H        ILE  45  -5.317  -5.808  -3.532
  332    HA   ILE  45           HA       ILE  45  -7.442  -3.936  -3.806
  333    HB   ILE  45           HB       ILE  45  -6.880  -6.421  -5.453
  334   HG12  ILE  45          HG13      ILE  45  -4.919  -4.984  -5.410
  335   HG13  ILE  45          HG12      ILE  45  -5.718  -4.782  -6.965
  336   HG21  ILE  45          HG21      ILE  45  -8.826  -4.220  -5.635
  337   HG22  ILE  45          HG22      ILE  45  -8.871  -5.829  -6.354
  338   HG23  ILE  45          HG23      ILE  45  -7.943  -4.543  -7.125
  339   HD11  ILE  45          HD11      ILE  45  -5.333  -2.566  -6.353
  340   HD12  ILE  45          HD12      ILE  45  -5.591  -2.888  -4.639
  341   HD13  ILE  45          HD13      ILE  45  -6.967  -2.814  -5.739
  342    H    ALA  46           H        ALA  46  -7.475  -7.436  -3.158
  343    HA   ALA  46           HA       ALA  46 -10.301  -7.773  -3.292
  344    HB1  ALA  46           HB1      ALA  46  -9.953  -9.854  -2.238
  345    HB2  ALA  46           HB2      ALA  46  -8.564  -9.260  -1.328
  346    HB3  ALA  46           HB3      ALA  46  -8.423  -9.553  -3.061
  347    H    TRP  47           H        TRP  47  -8.182  -6.837  -0.596
  348    HA   TRP  47           HA       TRP  47 -10.402  -6.655   1.286
  349    HB2  TRP  47           HB3      TRP  47  -8.490  -7.037   2.488
  350    HB3  TRP  47           HB2      TRP  47  -7.467  -6.194   1.327
  351    HD1  TRP  47           HD1      TRP  47  -9.860  -5.516   4.247
  352    HE1  TRP  47           HE1      TRP  47  -9.335  -3.180   5.195
  353    HE3  TRP  47           HE3      TRP  47  -6.436  -3.913   0.832
  354    HZ2  TRP  47           HZ2      TRP  47  -7.681  -0.926   4.590
  355    HZ3  TRP  47           HZ3      TRP  47  -5.396  -1.678   1.033
  356    HH2  TRP  47           HH2      TRP  47  -6.014  -0.183   2.907
  357    H    LEU  48           H        LEU  48  -8.328  -4.287  -0.395
  358    HA   LEU  48           HA       LEU  48  -9.621  -1.962   0.617
  359    HB2  LEU  48           HB3      LEU  48  -7.399  -2.058  -0.578
  360    HB3  LEU  48           HB2      LEU  48  -8.287  -2.251  -2.081
  361    HG   LEU  48           HG       LEU  48  -9.569  -0.116  -1.295
  362   HD11  LEU  48          HD11      LEU  48  -8.679   1.103   0.408
  363   HD12  LEU  48          HD12      LEU  48  -7.024   0.709  -0.056
  364   HD13  LEU  48          HD13      LEU  48  -7.968  -0.436   0.894
  365   HD21  LEU  48          HD21      LEU  48  -8.395   0.316  -3.212
  366   HD22  LEU  48          HD22      LEU  48  -6.940  -0.480  -2.614
  367   HD23  LEU  48          HD23      LEU  48  -7.313   1.169  -2.111
  368    H    GLU  49           H        GLU  49 -10.271  -3.887  -2.320
  369    HA   GLU  49           HA       GLU  49 -12.257  -2.103  -3.361
  370    HB2  GLU  49           HB3      GLU  49 -12.727  -3.794  -4.933
  371    HB3  GLU  49           HB2      GLU  49 -11.033  -4.037  -4.556
  372    HG2  GLU  49           HG3      GLU  49 -11.756  -5.730  -2.840
  373    HG3  GLU  49           HG2      GLU  49 -13.388  -5.573  -3.474
  374    H    ASP  50           H        ASP  50 -12.423  -4.832  -1.119
  375    HA   ASP  50           HA       ASP  50 -15.273  -5.042  -1.054
  376    HB2  ASP  50           HB3      ASP  50 -13.625  -6.707  -0.108
  377    HB3  ASP  50           HB2      ASP  50 -13.390  -5.594   1.237
  378    H    ARG  51           H        ARG  51 -13.006  -3.072   0.837
  379    HA   ARG  51           HA       ARG  51 -14.949  -2.033   2.655
  380    HB2  ARG  51           HB3      ARG  51 -12.275  -0.974   1.729
  381    HB3  ARG  51           HB2      ARG  51 -13.233  -0.207   2.992
  382    HG2  ARG  51           HG3      ARG  51 -13.250  -2.387   4.228
  383    HG3  ARG  51           HG2      ARG  51 -12.156  -3.038   3.007
  384    HD2  ARG  51           HD3      ARG  51 -10.830  -2.276   4.887
  385    HD3  ARG  51           HD2      ARG  51 -10.557  -1.175   3.536
  386    HE   ARG  51           HE       ARG  51 -12.568   0.093   4.851
  387   HH11  ARG  51          HH22      ARG  51  -9.662  -1.437   5.907
  388   HH12  ARG  51          HH21      ARG  51  -9.457  -0.398   7.278
  389   HH21  ARG  51          HH11      ARG  51 -12.316   1.456   6.635
  390   HH22  ARG  51          HH12      ARG  51 -10.959   1.239   7.690
  391    H    PHE  52           H        PHE  52 -13.765  -0.741  -0.480
  392    HA   PHE  52           HA       PHE  52 -15.844   1.384  -0.240
  393    HB2  PHE  52           HB3      PHE  52 -13.355   1.165  -1.946
  394    HB3  PHE  52           HB2      PHE  52 -14.549   2.446  -2.120
  395    HD1  PHE  52           HD2      PHE  52 -14.907   4.103  -0.338
  396    HD2  PHE  52           HD1      PHE  52 -11.894   1.060  -0.009
  397    HE1  PHE  52           HE2      PHE  52 -13.859   5.344   1.535
  398    HE2  PHE  52           HE1      PHE  52 -10.846   2.301   1.864
  399    HZ   PHE  52           HZ       PHE  52 -11.829   4.444   2.636
  400    H    GLY  53           H        GLY  53 -15.351  -1.606  -1.677
  401    HA2  GLY  53           HA3      GLY  53 -16.565  -2.742  -3.334
  402    HA3  GLY  53           HA2      GLY  53 -17.743  -1.431  -3.243
  403    H    ILE  54           H        ILE  54 -14.313  -1.057  -4.062
  404    HA   ILE  54           HA       ILE  54 -15.171   0.182  -6.627
  405    HB   ILE  54           HB       ILE  54 -12.426   0.085  -5.339
  406   HG12  ILE  54          HG13      ILE  54 -14.390   2.389  -5.390
  407   HG13  ILE  54          HG12      ILE  54 -14.272   1.265  -4.036
  408   HG21  ILE  54          HG21      ILE  54 -12.420   0.490  -7.780
  409   HG22  ILE  54          HG22      ILE  54 -11.936   1.935  -6.893
  410   HG23  ILE  54          HG23      ILE  54 -13.564   1.813  -7.560
  411   HD11  ILE  54          HD11      ILE  54 -12.882   3.226  -3.587
  412   HD12  ILE  54          HD12      ILE  54 -12.037   3.005  -5.119
  413   HD13  ILE  54          HD13      ILE  54 -11.850   1.816  -3.829
  414    H    ALA  55           H        ALA  55 -15.021  -0.972  -8.497
  415    HA   ALA  55           HA       ALA  55 -14.025  -3.653  -8.572
  416    HB1  ALA  55           HB1      ALA  55 -15.216  -1.758 -10.434
  417    HB2  ALA  55           HB2      ALA  55 -15.298  -3.520 -10.432
  418    HB3  ALA  55           HB3      ALA  55 -13.940  -2.701 -11.204
  419    H    ALA  56           H        ALA  56 -12.006  -4.451  -9.095
  420    HA   ALA  56           HA       ALA  56  -9.731  -2.719  -8.891
  421    HB1  ALA  56           HB1      ALA  56  -9.767  -5.190  -8.358
  422    HB2  ALA  56           HB2      ALA  56  -8.407  -4.685  -9.362
  423    HB3  ALA  56           HB3      ALA  56  -9.789  -5.499 -10.094
  424    H    ASP  57           H        ASP  57 -11.479  -4.094 -11.628
  425    HA   ASP  57           HA       ASP  57  -9.645  -3.425 -13.693
  426    HB2  ASP  57           HB3      ASP  57 -12.661  -3.608 -13.723
  427    HB3  ASP  57           HB2      ASP  57 -11.673  -3.451 -15.174
  428    H    ASP  58           H        ASP  58 -12.025  -1.480 -11.980
  429    HA   ASP  58           HA       ASP  58 -12.292   0.716 -13.680
  430    HB2  ASP  58           HB3      ASP  58 -12.034   0.652 -10.672
  431    HB3  ASP  58           HB2      ASP  58 -12.522   2.083 -11.576
  432    H    VAL  59           H        VAL  59  -9.571  -0.076 -11.552
  433    HA   VAL  59           HA       VAL  59  -8.020   2.081 -12.930
  434    HB   VAL  59           HB       VAL  59  -6.848   2.538 -10.829
  435   HG11  VAL  59          HG11      VAL  59  -9.821   2.538 -10.267
  436   HG12  VAL  59          HG12      VAL  59  -9.071   3.656 -11.406
  437   HG13  VAL  59          HG13      VAL  59  -8.614   3.693  -9.703
  438   HG21  VAL  59          HG21      VAL  59  -8.431   1.311  -8.875
  439   HG22  VAL  59          HG22      VAL  59  -6.784   0.859  -9.316
  440   HG23  VAL  59          HG23      VAL  59  -8.154   0.044 -10.071
  441    H    GLU  60           H        GLU  60  -5.778   1.600 -13.242
  442    HA   GLU  60           HA       GLU  60  -5.078  -1.288 -12.860
  443    HB2  GLU  60           HB3      GLU  60  -5.452  -0.625 -15.250
  444    HB3  GLU  60           HB2      GLU  60  -4.142   0.539 -15.090
  445    HG2  GLU  60           HG3      GLU  60  -2.623  -1.318 -14.443
  446    HG3  GLU  60           HG2      GLU  60  -3.935  -2.453 -14.736
  447    H    LEU  61           H        LEU  61  -3.107  -1.688 -11.891
  448    HA   LEU  61           HA       LEU  61  -1.527   0.705 -11.083
  449    HB2  LEU  61           HB3      LEU  61  -1.476  -2.082  -9.887
  450    HB3  LEU  61           HB2      LEU  61  -0.685  -0.646  -9.243
  451    HG   LEU  61           HG       LEU  61  -2.723  -0.968  -7.992
  452   HD11  LEU  61          HD11      LEU  61  -2.068   1.367  -8.959
  453   HD12  LEU  61          HD12      LEU  61  -3.661   1.168  -8.229
  454   HD13  LEU  61          HD13      LEU  61  -3.488   1.154  -9.984
  455   HD21  LEU  61          HD21      LEU  61  -4.541  -0.631 -10.306
  456   HD22  LEU  61          HD22      LEU  61  -4.710  -1.656  -8.882
  457   HD23  LEU  61          HD23      LEU  61  -3.708  -2.183 -10.232
  458    H    SER  62           H        SER  62   0.681   0.790 -11.542
  459    HA   SER  62           HA       SER  62   1.814  -1.502 -13.072
  460    HB2  SER  62           HB3      SER  62   1.266   1.125 -14.045
  461    HB3  SER  62           HB2      SER  62   3.015   0.939 -13.949
  462    HG   SER  62           HG       SER  62   1.377  -0.035 -15.767
  463    HA   PRO  63           HA       PRO  63   5.422  -1.399 -10.541
  464    HB2  PRO  63           HB2      PRO  63   7.128  -0.608 -12.833
  465    HB3  PRO  63           HB3      PRO  63   7.257  -2.015 -11.768
  466    HG2  PRO  63           HG3      PRO  63   6.364  -2.160 -14.310
  467    HG3  PRO  63           HG2      PRO  63   5.852  -3.268 -13.029
  468    HD2  PRO  63           HD3      PRO  63   4.323  -1.102 -14.341
  469    HD3  PRO  63           HD2      PRO  63   3.742  -2.534 -13.466
  470    H    GLU  64           H        GLU  64   5.109   1.295 -12.809
  471    HA   GLU  64           HA       GLU  64   6.890   3.095 -11.458
  472    HB2  GLU  64           HB3      GLU  64   4.498   3.650 -13.217
  473    HB3  GLU  64           HB2      GLU  64   5.660   4.866 -12.710
  474    HG2  GLU  64           HG3      GLU  64   7.465   3.541 -13.770
  475    HG3  GLU  64           HG2      GLU  64   6.258   2.393 -14.339
  476    H    HIS  65           H        HIS  65   3.525   2.223 -10.979
  477    HA   HIS  65           HA       HIS  65   2.840   4.416  -9.245
  478    HB2  HIS  65           HB3      HIS  65   1.187   2.903 -10.375
  479    HB3  HIS  65           HB2      HIS  65   1.672   1.617  -9.271
  480    HD1  HIS  65           HD1      HIS  65   0.717   1.661  -6.919
  481    HD2  HIS  65           HD2      HIS  65  -0.113   5.153  -9.044
  482    HE1  HIS  65           HE1      HIS  65  -0.928   2.983  -5.515
  483    HE2  HIS  65           HE2      HIS  65  -1.437   5.111  -6.798
  484    H    PHE  66           H        PHE  66   4.535   1.399  -8.755
  485    HA   PHE  66           HA       PHE  66   4.422   1.752  -5.805
  486    HB2  PHE  66           HB3      PHE  66   5.651  -0.484  -7.449
  487    HB3  PHE  66           HB2      PHE  66   5.413  -0.482  -5.700
  488    HD1  PHE  66           HD1      PHE  66   3.141  -0.612  -4.732
  489    HD2  PHE  66           HD2      PHE  66   3.798  -0.803  -8.973
  490    HE1  PHE  66           HE1      PHE  66   0.829  -1.449  -5.054
  491    HE2  PHE  66           HE2      PHE  66   1.488  -1.643  -9.294
  492    HZ   PHE  66           HZ       PHE  66   0.002  -1.964  -7.337
  493    H    ARG  67           H        ARG  67   6.184   3.036  -8.199
  494    HA   ARG  67           HA       ARG  67   8.895   2.545  -7.612
  495    HB2  ARG  67           HB3      ARG  67   8.101   3.905  -9.532
  496    HB3  ARG  67           HB2      ARG  67   7.633   5.184  -8.418
  497    HG2  ARG  67           HG3      ARG  67   9.759   5.850  -9.214
  498    HG3  ARG  67           HG2      ARG  67  10.094   5.143  -7.639
  499    HD2  ARG  67           HD3      ARG  67  10.795   3.052  -8.663
  500    HD3  ARG  67           HD2      ARG  67  10.309   3.631 -10.256
  501    HE   ARG  67           HE       ARG  67  12.317   5.292  -8.900
  502   HH11  ARG  67          HH22      ARG  67  11.591   2.676 -11.024
  503   HH12  ARG  67          HH21      ARG  67  13.112   2.748 -11.849
  504   HH21  ARG  67          HH11      ARG  67  14.308   5.402  -9.965
  505   HH22  ARG  67          HH12      ARG  67  14.651   4.292 -11.249
  506    H    SER  68           H        SER  68   6.596   4.715  -6.012
  507    HA   SER  68           HA       SER  68   8.438   4.827  -3.696
  508    HB2  SER  68           HB3      SER  68   7.421   7.253  -5.179
  509    HB3  SER  68           HB2      SER  68   8.063   7.328  -3.541
  510    HG   SER  68           HG       SER  68   9.853   6.002  -4.740
  511    H    ILE  69           H        ILE  69   7.359   5.252  -1.717
  512    HA   ILE  69           HA       ILE  69   4.638   4.409  -1.558
  513    HB   ILE  69           HB       ILE  69   6.305   5.933   0.464
  514   HG12  ILE  69          HG13      ILE  69   5.830   2.962   0.208
  515   HG13  ILE  69          HG12      ILE  69   7.273   3.770  -0.384
  516   HG21  ILE  69          HG21      ILE  69   4.489   5.847   1.770
  517   HG22  ILE  69          HG22      ILE  69   4.458   4.093   1.594
  518   HG23  ILE  69          HG23      ILE  69   3.579   5.110   0.453
  519   HD11  ILE  69          HD11      ILE  69   6.793   4.631   2.303
  520   HD12  ILE  69          HD12      ILE  69   8.169   3.724   1.677
  521   HD13  ILE  69          HD13      ILE  69   6.742   2.869   2.262
  522    H    ARG  70           H        ARG  70   6.146   7.621  -1.596
  523    HA   ARG  70           HA       ARG  70   3.847   9.131  -0.867
  524    HB2  ARG  70           HB3      ARG  70   6.157   9.867  -2.689
  525    HB3  ARG  70           HB2      ARG  70   4.984  11.016  -2.045
  526    HG2  ARG  70           HG3      ARG  70   5.627  10.313   0.265
  527    HG3  ARG  70           HG2      ARG  70   6.878   9.283  -0.433
  528    HD2  ARG  70           HD3      ARG  70   6.667  12.292  -0.735
  529    HD3  ARG  70           HD2      ARG  70   7.858  11.424   0.233
  530    HE   ARG  70           HE       ARG  70   8.302  10.358  -2.224
  531   HH11  ARG  70          HH22      ARG  70   7.803  13.585  -1.118
  532   HH12  ARG  70          HH21      ARG  70   8.779  14.301  -2.356
  533   HH21  ARG  70          HH11      ARG  70   9.579  11.274  -3.847
  534   HH22  ARG  70          HH12      ARG  70   9.786  12.993  -3.901
  535    H    SER  71           H        SER  71   4.943   7.978  -4.059
  536    HA   SER  71           HA       SER  71   2.980   9.347  -5.602
  537    HB2  SER  71           HB3      SER  71   4.192   6.624  -6.154
  538    HB3  SER  71           HB2      SER  71   3.461   7.704  -7.334
  539    HG   SER  71           HG       SER  71   5.100   9.231  -6.785
  540    H    ILE  72           H        ILE  72   2.911   6.165  -4.009
  541    HA   ILE  72           HA       ILE  72   0.311   5.422  -4.959
  542    HB   ILE  72           HB       ILE  72   1.782   4.574  -2.446
  543   HG12  ILE  72          HG13      ILE  72   1.668   3.263  -5.180
  544   HG13  ILE  72          HG12      ILE  72   3.028   4.223  -4.597
  545   HG21  ILE  72          HG21      ILE  72  -0.835   3.988  -3.462
  546   HG22  ILE  72          HG22      ILE  72  -0.056   3.366  -2.009
  547   HG23  ILE  72          HG23      ILE  72   0.153   2.532  -3.548
  548   HD11  ILE  72          HD11      ILE  72   2.431   1.459  -4.071
  549   HD12  ILE  72          HD12      ILE  72   2.412   2.355  -2.552
  550   HD13  ILE  72          HD13      ILE  72   3.845   2.391  -3.580
  551    H    ASP  73           H        ASP  73   1.444   7.132  -2.065
  552    HA   ASP  73           HA       ASP  73  -0.997   7.202  -0.635
  553    HB2  ASP  73           HB3      ASP  73   1.246   7.947   0.224
  554    HB3  ASP  73           HB2      ASP  73   1.076   9.409  -0.748
  555    H    ALA  74           H        ALA  74   0.229   9.426  -3.138
  556    HA   ALA  74           HA       ALA  74  -1.972  11.255  -2.948
  557    HB1  ALA  74           HB1      ALA  74   0.399  11.297  -4.263
  558    HB2  ALA  74           HB2      ALA  74  -0.941  12.373  -4.656
  559    HB3  ALA  74           HB3      ALA  74  -0.686  10.903  -5.597
  560    H    PHE  75           H        PHE  75  -1.431   8.382  -4.964
  561    HA   PHE  75           HA       PHE  75  -3.748   8.682  -6.595
  562    HB2  PHE  75           HB3      PHE  75  -1.899   7.053  -7.019
  563    HB3  PHE  75           HB2      PHE  75  -2.496   6.093  -5.668
  564    HD1  PHE  75           HD1      PHE  75  -3.289   7.356  -9.054
  565    HD2  PHE  75           HD2      PHE  75  -4.508   4.775  -5.844
  566    HE1  PHE  75           HE1      PHE  75  -4.960   6.291 -10.545
  567    HE2  PHE  75           HE2      PHE  75  -6.179   3.710  -7.335
  568    HZ   PHE  75           HZ       PHE  75  -6.405   4.468  -9.685
  569    H    VAL  76           H        VAL  76  -3.305   6.784  -3.588
  570    HA   VAL  76           HA       VAL  76  -6.064   6.025  -3.414
  571    HB   VAL  76           HB       VAL  76  -3.846   6.172  -1.362
  572   HG11  VAL  76          HG11      VAL  76  -5.544   4.567  -0.155
  573   HG12  VAL  76          HG12      VAL  76  -6.741   5.427  -1.123
  574   HG13  VAL  76          HG13      VAL  76  -5.721   6.313   0.009
  575   HG21  VAL  76          HG21      VAL  76  -3.944   4.485  -3.373
  576   HG22  VAL  76          HG22      VAL  76  -5.205   3.704  -2.419
  577   HG23  VAL  76          HG23      VAL  76  -3.579   3.877  -1.759
  578    H    VAL  77           H        VAL  77  -4.197   8.647  -1.821
  579    HA   VAL  77           HA       VAL  77  -6.336   9.678  -0.278
  580    HB   VAL  77           HB       VAL  77  -3.906  10.983  -1.515
  581   HG11  VAL  77          HG11      VAL  77  -4.602  12.731   0.383
  582   HG12  VAL  77          HG12      VAL  77  -6.214  12.152  -0.036
  583   HG13  VAL  77          HG13      VAL  77  -5.188  12.877  -1.273
  584   HG21  VAL  77          HG21      VAL  77  -3.745   9.269   0.382
  585   HG22  VAL  77          HG22      VAL  77  -4.581  10.452   1.388
  586   HG23  VAL  77          HG23      VAL  77  -3.005  10.839   0.697
  587    H    GLY  78           H        GLY  78  -5.383  10.306  -3.634
  588    HA2  GLY  78           HA3      GLY  78  -7.165  12.438  -4.170
  589    HA3  GLY  78           HA2      GLY  78  -6.584  11.297  -5.382
  590    H    ALA  79           H        ALA  79  -7.739   8.938  -4.043
  591    HA   ALA  79           HA       ALA  79 -10.570   9.435  -4.828
  592    HB1  ALA  79           HB1      ALA  79  -9.555   6.670  -4.415
  593    HB2  ALA  79           HB2      ALA  79  -8.920   7.561  -5.798
  594    HB3  ALA  79           HB3      ALA  79 -10.656   7.292  -5.644
  595    H    THR  80           H        THR  80  -8.728   7.576  -2.380
  596    HA   THR  80           HA       THR  80 -10.831   8.256  -0.410
  597    HB   THR  80           HB       THR  80 -11.302   5.999   0.198
  598    HG1  THR  80           HG1      THR  80  -9.897   4.484  -0.119
  599   HG21  THR  80          HG21      THR  80 -12.395   6.808  -1.899
  600   HG22  THR  80          HG22      THR  80 -12.202   5.056  -1.853
  601   HG23  THR  80          HG23      THR  80 -11.106   6.038  -2.824
  602    H    THR  81           H        THR  81 -10.105   7.970   1.796
  603    HA   THR  81           HA       THR  81  -7.228   7.297   2.117
  604    HB   THR  81           HB       THR  81  -7.187   9.685   1.965
  605    HG1  THR  81           HG1      THR  81  -6.934  10.181   4.350
  606   HG21  THR  81          HG21      THR  81  -9.084  10.833   2.315
  607   HG22  THR  81          HG22      THR  81  -8.895  10.561   4.047
  608   HG23  THR  81          HG23      THR  81  -9.830   9.426   3.074
  609    HA   PRO  82           HA       PRO  82  -9.686   5.449   5.522
  610    HB2  PRO  82           HB2      PRO  82  -9.038   2.882   5.110
  611    HB3  PRO  82           HB3      PRO  82 -10.211   3.711   4.068
  612    HG2  PRO  82           HG3      PRO  82  -7.404   2.953   3.518
  613    HG3  PRO  82           HG2      PRO  82  -8.776   3.097   2.410
  614    HD2  PRO  82           HD3      PRO  82  -6.726   5.037   2.864
  615    HD3  PRO  82           HD2      PRO  82  -8.189   5.234   1.873
  616    HA   PRO  83           HA       PRO  83  -5.703   5.265   7.812
  617    HB2  PRO  83           HB2      PRO  83  -6.591   6.342  10.132
  618    HB3  PRO  83           HB3      PRO  83  -6.200   7.339   8.718
  619    HG2  PRO  83           HG3      PRO  83  -8.843   6.520   9.781
  620    HG3  PRO  83           HG2      PRO  83  -8.359   8.024   8.984
  621    HD2  PRO  83           HD3      PRO  83  -9.718   5.907   7.752
  622    HD3  PRO  83           HD2      PRO  83  -8.853   7.206   6.905
  623    H    VAL  84           H        VAL  84  -5.049   3.428   8.897
  624    HA   VAL  84           HA       VAL  84  -7.030   2.068  10.671
  625    HB   VAL  84           HB       VAL  84  -6.913   0.938   8.434
  626   HG11  VAL  84          HG11      VAL  84  -4.944   0.315   7.490
  627   HG12  VAL  84          HG12      VAL  84  -4.271  -0.224   9.029
  628   HG13  VAL  84          HG13      VAL  84  -4.227   1.485   8.598
  629   HG21  VAL  84          HG21      VAL  84  -5.880  -0.525  10.878
  630   HG22  VAL  84          HG22      VAL  84  -6.392  -1.347   9.405
  631   HG23  VAL  84          HG23      VAL  84  -7.552  -0.398  10.333
  632    H    GLU  85           H        GLU  85  -6.139   1.216  12.544
  633    HA   GLU  85           HA       GLU  85  -3.580   2.191  13.398
  634    HB2  GLU  85           HB3      GLU  85  -5.348   0.010  14.547
  635    HB3  GLU  85           HB2      GLU  85  -3.943   0.692  15.367
  636    HG2  GLU  85           HG3      GLU  85  -6.354   2.284  14.440
  637    HG3  GLU  85           HG2      GLU  85  -6.062   1.767  16.101
  638    H    ALA  86           H        ALA  86  -4.639  -0.908  12.056
  639    HA   ALA  86           HA       ALA  86  -1.785  -1.612  11.647
  640    HB1  ALA  86           HB1      ALA  86  -2.247  -3.944  12.457
  641    HB2  ALA  86           HB2      ALA  86  -3.812  -3.382  13.044
  642    HB3  ALA  86           HB3      ALA  86  -2.326  -2.731  13.735
  643    H    LYS  87           H        LYS  87  -1.537  -3.330  10.008
  644    HA   LYS  87           HA       LYS  87  -3.379  -3.002   7.814
  645    HB2  LYS  87           HB3      LYS  87  -0.891  -3.600   7.673
  646    HB3  LYS  87           HB2      LYS  87  -1.367  -5.243   8.104
  647    HG2  LYS  87           HG3      LYS  87  -2.942  -5.249   6.162
  648    HG3  LYS  87           HG2      LYS  87  -2.326  -3.662   5.702
  649    HD2  LYS  87           HD3      LYS  87   0.014  -4.813   5.782
  650    HD3  LYS  87           HD2      LYS  87  -0.904  -6.314   5.678
  651    HE2  LYS  87           HE3      LYS  87  -0.700  -4.086   3.668
  652    HE3  LYS  87           HE2      LYS  87  -0.525  -5.822   3.420
  653    HZ1  LYS  87           HZ1      LYS  87  -2.723  -4.513   2.793
  654    HZ2  LYS  87           HZ2      LYS  87  -3.101  -4.880   4.406
  655    HZ3  LYS  87           HZ3      LYS  87  -2.747  -6.131   3.313
  656    H    LEU  88           H        LEU  88  -5.092  -4.303   7.191
  657    HA   LEU  88           HA       LEU  88  -5.988  -6.322   9.147
  658    HB2  LEU  88           HB3      LEU  88  -7.323  -5.391   6.586
  659    HB3  LEU  88           HB2      LEU  88  -8.073  -6.326   7.880
  660    HG   LEU  88           HG       LEU  88  -6.997  -3.499   8.097
  661   HD11  LEU  88          HD11      LEU  88  -9.397  -4.321   7.084
  662   HD12  LEU  88          HD12      LEU  88  -9.152  -2.780   7.905
  663   HD13  LEU  88          HD13      LEU  88  -9.793  -4.161   8.795
  664   HD21  LEU  88          HD21      LEU  88  -8.242  -3.797  10.404
  665   HD22  LEU  88          HD22      LEU  88  -6.585  -4.373  10.224
  666   HD23  LEU  88          HD23      LEU  88  -7.930  -5.510  10.126
  667    H    GLN  89           H        GLN  89  -6.115  -8.526   8.714
  668    HA   GLN  89           HA       GLN  89  -4.721  -9.423   6.233
  669    HB2  GLN  89           HB3      GLN  89  -5.220 -10.854   8.861
  670    HB3  GLN  89           HB2      GLN  89  -4.391 -11.560   7.473
  671    HG2  GLN  89           HG3      GLN  89  -2.673  -9.809   7.583
  672    HG3  GLN  89           HG2      GLN  89  -3.510  -9.057   8.942
  673   HE21  GLN  89          HE22      GLN  89  -0.829  -9.987   9.234
  674   HE22  GLN  89          HE21      GLN  89  -0.829 -11.322  10.284
  675    H1   PN7 101           3HO      SAT  38   0.624  -4.422 -13.350
  676    H2   PN7 101           1H1      SAT  38   4.277  -6.591 -10.506
  677    H3   PN7 101           2H1      SAT  38   2.592  -6.742 -10.008
  678    H5   PN7 101          3HE1      SAT  38   4.765  -5.947 -12.805
  679    H6   PN7 101          1HE1      SAT  38   3.696  -4.816 -13.635
  680    H7   PN7 101          2HE1      SAT  38   3.376  -6.549 -13.711
  681    H8   PN7 101          2HE2      SAT  38   2.562  -3.519 -11.727
  682    H9   PN7 101          3HE2      SAT  38   4.152  -4.043 -11.172
  683    H10  PN7 101          1HE2      SAT  38   2.734  -4.303 -10.156
  684    H11  PN7 101           3H       SAT  38   1.150  -6.843 -12.250
  685    H12  PN7 101           5H       SAT  38   0.233  -3.152 -11.418
  686    H13  PN7 101           2H6      SAT  38  -1.347  -3.872 -13.275
  687    H14  PN7 101           1H6      SAT  38  -2.204  -3.626 -11.754
  688    H15  PN7 101           1H7      SAT  38  -1.090  -6.278 -12.723
  689    H16  PN7 101           2H7      SAT  38  -2.787  -5.803 -12.786
  690    H17  PN7 101           9H       SAT  38  -0.500  -7.410 -10.749
  691    H18  PN7 101          2H10      SAT  38  -3.055  -7.851  -9.255
  692    H19  PN7 101          1H10      SAT  38  -1.487  -8.435  -8.698
  693    H20  PN7 101          1H11      SAT  38  -3.353  -9.650 -10.593
  694    H21  PN7 101          2H11      SAT  38  -1.996 -10.380  -9.734
  695    H22  PN7 101          2HS1      SAT  38  -0.864 -10.345 -11.939
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1  -0.952   9.589   8.254
    2    H2   MET   1           H2       MET   1  -0.759   8.762   6.782
    3    H3   MET   1           H3       MET   1  -1.717   8.095   8.016
    4    HA   MET   1           HA       MET   1  -2.602  10.713   7.312
    5    HB2  MET   1           HB3      MET   1  -2.593   8.557   5.174
    6    HB3  MET   1           HB2      MET   1  -3.465  10.088   5.077
    7    HG2  MET   1           HG3      MET   1  -1.285  11.290   5.336
    8    HG3  MET   1           HG2      MET   1  -0.462   9.731   5.274
    9    HE1  MET   1           HE1      MET   1   0.157  12.058   2.515
   10    HE2  MET   1           HE2      MET   1   0.814  10.456   2.187
   11    HE3  MET   1           HE3      MET   1   0.785  11.083   3.841
   12    H    GLN   2           H        GLN   2  -4.848   9.284   5.825
   13    HA   GLN   2           HA       GLN   2  -6.554   8.806   8.048
   14    HB2  GLN   2           HB3      GLN   2  -6.769   7.785   5.197
   15    HB3  GLN   2           HB2      GLN   2  -8.072   7.726   6.385
   16    HG2  GLN   2           HG3      GLN   2  -7.999  10.184   6.594
   17    HG3  GLN   2           HG2      GLN   2  -6.697  10.246   5.407
   18   HE21  GLN   2          HE22      GLN   2  -9.090  11.613   4.836
   19   HE22  GLN   2          HE21      GLN   2  -9.919  10.807   3.593
   20    H    HIS   3           H        HIS   3  -4.470   6.661   6.189
   21    HA   HIS   3           HA       HIS   3  -4.417   4.708   8.330
   22    HB2  HIS   3           HB3      HIS   3  -6.541   4.440   6.517
   23    HB3  HIS   3           HB2      HIS   3  -5.340   3.266   5.978
   24    HD1  HIS   3           HD1      HIS   3  -6.461   4.376   9.464
   25    HD2  HIS   3           HD2      HIS   3  -5.925   0.888   7.241
   26    HE1  HIS   3           HE1      HIS   3  -7.006   2.446  11.014
   27    HE2  HIS   3           HE2      HIS   3  -6.683   0.319   9.671
   28    H    ALA   4           H        ALA   4  -2.677   6.330   6.497
   29    HA   ALA   4           HA       ALA   4  -1.380   4.651   4.593
   30    HB1  ALA   4           HB1      ALA   4  -0.993   7.036   4.558
   31    HB2  ALA   4           HB2      ALA   4   0.549   6.245   4.883
   32    HB3  ALA   4           HB3      ALA   4  -0.348   7.003   6.199
   33    H    SER   5           H        SER   5  -0.885   5.065   8.079
   34    HA   SER   5           HA       SER   5   1.580   3.673   8.294
   35    HB2  SER   5           HB3      SER   5   0.459   4.951  10.146
   36    HB3  SER   5           HB2      SER   5  -0.690   3.626  10.302
   37    HG   SER   5           HG       SER   5   0.805   2.911  11.624
   38    H    VAL   6           H        VAL   6  -1.757   2.455   8.276
   39    HA   VAL   6           HA       VAL   6  -1.049  -0.287   8.772
   40    HB   VAL   6           HB       VAL   6  -3.449   0.934   7.398
   41   HG11  VAL   6          HG11      VAL   6  -2.813  -1.917   8.177
   42   HG12  VAL   6          HG12      VAL   6  -3.319  -1.313   6.599
   43   HG13  VAL   6          HG13      VAL   6  -4.467  -1.353   7.938
   44   HG21  VAL   6          HG21      VAL   6  -4.087  -0.321   9.851
   45   HG22  VAL   6          HG22      VAL   6  -4.069   1.410   9.513
   46   HG23  VAL   6          HG23      VAL   6  -2.626   0.621  10.149
   47    H    ILE   7           H        ILE   7  -1.379   1.639   5.826
   48    HA   ILE   7           HA       ILE   7  -1.182  -0.478   3.946
   49    HB   ILE   7           HB       ILE   7  -0.144   2.363   3.734
   50   HG12  ILE   7          HG13      ILE   7  -2.773   1.147   2.824
   51   HG13  ILE   7          HG12      ILE   7  -2.579   2.113   4.287
   52   HG21  ILE   7          HG21      ILE   7  -0.469   1.939   1.269
   53   HG22  ILE   7          HG22      ILE   7  -0.731   0.237   1.650
   54   HG23  ILE   7          HG23      ILE   7   0.828   0.987   1.991
   55   HD11  ILE   7          HD11      ILE   7  -2.895   3.954   3.032
   56   HD12  ILE   7          HD12      ILE   7  -2.866   3.002   1.547
   57   HD13  ILE   7          HD13      ILE   7  -1.360   3.604   2.238
   58    H    ALA   8           H        ALA   8   1.406   1.562   5.340
   59    HA   ALA   8           HA       ALA   8   3.561   0.157   4.070
   60    HB1  ALA   8           HB1      ALA   8   4.593   1.949   4.976
   61    HB2  ALA   8           HB2      ALA   8   4.539   1.102   6.522
   62    HB3  ALA   8           HB3      ALA   8   3.253   2.228   6.087
   63    H    GLN   9           H        GLN   9   2.092  -0.146   7.284
   64    HA   GLN   9           HA       GLN   9   3.720  -2.315   8.186
   65    HB2  GLN   9           HB3      GLN   9   2.303  -0.909   9.671
   66    HB3  GLN   9           HB2      GLN   9   0.866  -1.637   8.953
   67    HG2  GLN   9           HG3      GLN   9   2.528  -3.787   9.690
   68    HG3  GLN   9           HG2      GLN   9   2.559  -2.670  11.052
   69   HE21  GLN   9          HE22      GLN   9   0.246  -4.315   8.839
   70   HE22  GLN   9          HE21      GLN   9  -1.013  -4.401   9.976
   71    H    PHE  10           H        PHE  10   0.650  -2.217   6.442
   72    HA   PHE  10           HA       PHE  10   0.100  -5.012   6.546
   73    HB2  PHE  10           HB3      PHE  10  -1.539  -3.249   5.886
   74    HB3  PHE  10           HB2      PHE  10  -0.661  -3.046   4.371
   75    HD1  PHE  10           HD1      PHE  10  -2.682  -5.392   6.401
   76    HD2  PHE  10           HD2      PHE  10  -0.844  -4.651   2.592
   77    HE1  PHE  10           HE1      PHE  10  -3.944  -7.290   5.424
   78    HE2  PHE  10           HE2      PHE  10  -2.105  -6.550   1.613
   79    HZ   PHE  10           HZ       PHE  10  -3.655  -7.867   3.031
   80    H    VAL  11           H        VAL  11   1.636  -3.079   3.963
   81    HA   VAL  11           HA       VAL  11   2.270  -5.420   2.385
   82    HB   VAL  11           HB       VAL  11   3.483  -3.876   0.963
   83   HG11  VAL  11          HG11      VAL  11   1.001  -2.567   2.109
   84   HG12  VAL  11          HG12      VAL  11   1.007  -3.836   0.885
   85   HG13  VAL  11          HG13      VAL  11   1.692  -2.253   0.518
   86   HG21  VAL  11          HG21      VAL  11   3.564  -1.424   1.766
   87   HG22  VAL  11          HG22      VAL  11   4.729  -2.541   2.476
   88   HG23  VAL  11          HG23      VAL  11   3.286  -2.079   3.379
   89    H    VAL  12           H        VAL  12   4.235  -3.290   4.484
   90    HA   VAL  12           HA       VAL  12   6.729  -4.560   4.012
   91    HB   VAL  12           HB       VAL  12   5.680  -3.105   6.434
   92   HG11  VAL  12          HG11      VAL  12   7.446  -4.282   7.384
   93   HG12  VAL  12          HG12      VAL  12   8.295  -2.869   6.759
   94   HG13  VAL  12          HG13      VAL  12   8.327  -4.386   5.860
   95   HG21  VAL  12          HG21      VAL  12   7.602  -2.282   4.237
   96   HG22  VAL  12          HG22      VAL  12   7.020  -1.257   5.549
   97   HG23  VAL  12          HG23      VAL  12   5.901  -1.820   4.307
   98    H    GLU  13           H        GLU  13   4.190  -5.338   6.368
   99    HA   GLU  13           HA       GLU  13   5.691  -7.302   7.782
  100    HB2  GLU  13           HB3      GLU  13   2.747  -6.855   7.398
  101    HB3  GLU  13           HB2      GLU  13   3.350  -8.221   8.327
  102    HG2  GLU  13           HG3      GLU  13   4.610  -6.687   9.783
  103    HG3  GLU  13           HG2      GLU  13   4.001  -5.319   8.861
  104    H    GLU  14           H        GLU  14   3.833  -7.489   4.794
  105    HA   GLU  14           HA       GLU  14   3.789 -10.356   4.638
  106    HB2  GLU  14           HB3      GLU  14   3.682  -8.239   2.473
  107    HB3  GLU  14           HB2      GLU  14   3.422  -9.959   2.180
  108    HG2  GLU  14           HG3      GLU  14   1.556  -9.942   3.812
  109    HG3  GLU  14           HG2      GLU  14   1.796  -8.212   4.049
  110    H    PHE  15           H        PHE  15   6.188  -7.935   3.714
  111    HA   PHE  15           HA       PHE  15   7.873 -10.052   2.501
  112    HB2  PHE  15           HB3      PHE  15   8.465  -7.092   2.757
  113    HB3  PHE  15           HB2      PHE  15   9.282  -8.255   1.714
  114    HD1  PHE  15           HD2      PHE  15   7.814  -9.515  -0.025
  115    HD2  PHE  15           HD1      PHE  15   6.607  -5.916   1.977
  116    HE1  PHE  15           HE2      PHE  15   6.112  -9.108  -1.784
  117    HE2  PHE  15           HE1      PHE  15   4.900  -5.510   0.230
  118    HZ   PHE  15           HZ       PHE  15   4.654  -7.106  -1.657
  119    H    LEU  16           H        LEU  16   8.368  -7.432   4.920
  120    HA   LEU  16           HA       LEU  16  10.184  -9.316   6.368
  121    HB2  LEU  16           HB3      LEU  16  10.996  -7.070   4.943
  122    HB3  LEU  16           HB2      LEU  16  10.966  -6.513   6.612
  123    HG   LEU  16           HG       LEU  16  12.359  -9.024   5.640
  124   HD11  LEU  16          HD11      LEU  16  14.328  -7.457   6.596
  125   HD12  LEU  16          HD12      LEU  16  13.224  -6.201   6.034
  126   HD13  LEU  16          HD13      LEU  16  13.827  -7.415   4.905
  127   HD21  LEU  16          HD21      LEU  16  12.011  -9.540   7.848
  128   HD22  LEU  16          HD22      LEU  16  11.759  -7.856   8.307
  129   HD23  LEU  16          HD23      LEU  16  13.396  -8.472   8.081
  130    HA   PRO  17           HA       PRO  17   7.255  -7.522   9.419
  131    HB2  PRO  17           HB2      PRO  17   6.452  -9.907  10.494
  132    HB3  PRO  17           HB3      PRO  17   5.678  -9.158   9.089
  133    HG2  PRO  17           HG3      PRO  17   7.416 -11.498   9.233
  134    HG3  PRO  17           HG2      PRO  17   6.264 -11.018   7.983
  135    HD2  PRO  17           HD3      PRO  17   9.118 -10.746   7.914
  136    HD3  PRO  17           HD2      PRO  17   7.948 -10.195   6.696
  137    H    ASP  18           H        ASP  18  10.041  -9.536   9.604
  138    HA   ASP  18           HA       ASP  18  10.160  -9.707  12.506
  139    HB2  ASP  18           HB3      ASP  18  12.243 -10.106  10.352
  140    HB3  ASP  18           HB2      ASP  18  12.532 -10.405  12.061
  141    H    VAL  19           H        VAL  19  10.471  -7.211  10.357
  142    HA   VAL  19           HA       VAL  19  12.325  -5.697  12.152
  143    HB   VAL  19           HB       VAL  19  11.613  -5.130   9.253
  144   HG11  VAL  19          HG11      VAL  19  13.798  -3.700   9.627
  145   HG12  VAL  19          HG12      VAL  19  13.324  -3.789  11.324
  146   HG13  VAL  19          HG13      VAL  19  12.234  -3.066  10.141
  147   HG21  VAL  19          HG21      VAL  19  14.360  -5.912  10.111
  148   HG22  VAL  19          HG22      VAL  19  13.521  -6.243   8.597
  149   HG23  VAL  19          HG23      VAL  19  13.152  -7.194  10.035
  150    H    ALA  20           H        ALA  20  11.511  -3.724  12.998
  151    HA   ALA  20           HA       ALA  20   8.692  -3.495  13.251
  152    HB1  ALA  20           HB1      ALA  20   9.673  -0.921  13.661
  153    HB2  ALA  20           HB2      ALA  20  11.039  -1.964  14.058
  154    HB3  ALA  20           HB3      ALA  20   9.499  -2.171  14.892
  155    HA   PRO  21           HA       PRO  21   8.132  -1.844   9.063
  156    HB2  PRO  21           HB2      PRO  21   5.357  -1.423   9.466
  157    HB3  PRO  21           HB3      PRO  21   6.126  -2.783   8.637
  158    HG2  PRO  21           HG3      PRO  21   4.843  -2.724  11.203
  159    HG3  PRO  21           HG2      PRO  21   5.460  -4.108  10.291
  160    HD2  PRO  21           HD3      PRO  21   6.588  -2.929  12.633
  161    HD3  PRO  21           HD2      PRO  21   7.252  -4.257  11.661
  162    H    ALA  22           H        ALA  22   6.920  -0.351  12.010
  163    HA   ALA  22           HA       ALA  22   6.405   2.241  10.813
  164    HB1  ALA  22           HB1      ALA  22   7.046   2.432  13.616
  165    HB2  ALA  22           HB2      ALA  22   6.021   1.023  13.346
  166    HB3  ALA  22           HB3      ALA  22   5.478   2.620  12.831
  167    H    ASP  23           H        ASP  23   9.223   0.547  11.693
  168    HA   ASP  23           HA       ASP  23  10.837   2.969  12.156
  169    HB2  ASP  23           HB3      ASP  23  11.552   0.024  12.047
  170    HB3  ASP  23           HB2      ASP  23  12.720   1.311  12.353
  171    H    VAL  24           H        VAL  24   9.513   1.751   9.500
  172    HA   VAL  24           HA       VAL  24  11.924   1.833   7.782
  173    HB   VAL  24           HB       VAL  24   9.013   1.392   7.038
  174   HG11  VAL  24          HG11      VAL  24  11.625   1.283   5.546
  175   HG12  VAL  24          HG12      VAL  24  10.101   2.027   5.060
  176   HG13  VAL  24          HG13      VAL  24  10.273   0.272   5.037
  177   HG21  VAL  24          HG21      VAL  24   9.353  -0.901   7.263
  178   HG22  VAL  24          HG22      VAL  24  10.325  -0.293   8.603
  179   HG23  VAL  24          HG23      VAL  24  11.103  -0.762   7.092
  180    H    ASP  25           H        ASP  25  12.374   3.580   6.450
  181    HA   ASP  25           HA       ASP  25  11.177   6.109   7.073
  182    HB2  ASP  25           HB3      ASP  25  13.504   5.737   6.138
  183    HB3  ASP  25           HB2      ASP  25  12.749   5.434   4.573
  184    H    VAL  26           H        VAL  26   8.889   5.699   6.742
  185    HA   VAL  26           HA       VAL  26   7.777   4.853   4.240
  186    HB   VAL  26           HB       VAL  26   5.675   5.712   5.084
  187   HG11  VAL  26          HG11      VAL  26   5.673   4.032   6.580
  188   HG12  VAL  26          HG12      VAL  26   6.528   5.052   7.736
  189   HG13  VAL  26          HG13      VAL  26   7.436   4.054   6.601
  190   HG21  VAL  26          HG21      VAL  26   5.974   7.012   7.400
  191   HG22  VAL  26          HG22      VAL  26   6.002   7.871   5.860
  192   HG23  VAL  26          HG23      VAL  26   7.514   7.461   6.669
  193    H    ASP  27           H        ASP  27   9.703   7.435   4.713
  194    HA   ASP  27           HA       ASP  27   8.184   9.263   2.919
  195    HB2  ASP  27           HB3      ASP  27  10.751   9.660   4.491
  196    HB3  ASP  27           HB2      ASP  27  10.026  10.878   3.443
  197    H    LEU  28           H        LEU  28  10.021   6.658   2.546
  198    HA   LEU  28           HA       LEU  28  11.799   7.712   0.417
  199    HB2  LEU  28           HB3      LEU  28  12.647   6.037   2.077
  200    HB3  LEU  28           HB2      LEU  28  11.481   4.877   1.446
  201    HG   LEU  28           HG       LEU  28  12.615   5.576  -0.875
  202   HD11  LEU  28          HD11      LEU  28  14.938   6.091  -0.672
  203   HD12  LEU  28          HD12      LEU  28  14.917   5.814   1.070
  204   HD13  LEU  28          HD13      LEU  28  14.097   7.220   0.391
  205   HD21  LEU  28          HD21      LEU  28  12.540   3.294  -0.154
  206   HD22  LEU  28          HD22      LEU  28  13.632   3.614   1.194
  207   HD23  LEU  28          HD23      LEU  28  14.241   3.650  -0.461
  208    H    ASP  29           H        ASP  29  11.406   7.315  -1.754
  209    HA   ASP  29           HA       ASP  29   8.764   6.630  -2.582
  210    HB2  ASP  29           HB3      ASP  29  11.382   6.583  -4.119
  211    HB3  ASP  29           HB2      ASP  29   9.793   6.407  -4.865
  212    H    LEU  30           H        LEU  30   7.847   4.638  -2.546
  213    HA   LEU  30           HA       LEU  30   9.391   2.291  -1.905
  214    HB2  LEU  30           HB3      LEU  30   7.226   1.084  -2.318
  215    HB3  LEU  30           HB2      LEU  30   7.078   2.433  -1.189
  216    HG   LEU  30           HG       LEU  30   6.719   3.254  -3.970
  217   HD11  LEU  30          HD11      LEU  30   4.850   1.201  -2.755
  218   HD12  LEU  30          HD12      LEU  30   5.749   1.055  -4.265
  219   HD13  LEU  30          HD13      LEU  30   4.429   2.217  -4.133
  220   HD21  LEU  30          HD21      LEU  30   4.880   4.472  -3.017
  221   HD22  LEU  30          HD22      LEU  30   6.182   4.519  -1.829
  222   HD23  LEU  30          HD23      LEU  30   4.828   3.410  -1.610
  223    H    VAL  31           H        VAL  31   9.507   3.923  -4.678
  224    HA   VAL  31           HA       VAL  31   8.892   2.137  -6.765
  225    HB   VAL  31           HB       VAL  31   9.821   4.537  -6.923
  226   HG11  VAL  31          HG11      VAL  31  11.864   3.898  -5.526
  227   HG12  VAL  31          HG12      VAL  31  12.192   4.816  -6.995
  228   HG13  VAL  31          HG13      VAL  31  12.468   3.074  -6.963
  229   HG21  VAL  31          HG21      VAL  31  10.326   2.199  -8.666
  230   HG22  VAL  31          HG22      VAL  31  11.319   3.615  -9.013
  231   HG23  VAL  31          HG23      VAL  31   9.561   3.742  -9.046
  232    H    ASP  32           H        ASP  32  11.748   2.262  -4.671
  233    HA   ASP  32           HA       ASP  32  13.247   0.204  -5.962
  234    HB2  ASP  32           HB3      ASP  32  13.091   0.980  -3.029
  235    HB3  ASP  32           HB2      ASP  32  14.289  -0.130  -3.696
  236    H    ASN  33           H        ASN  33  10.612   0.169  -3.645
  237    HA   ASN  33           HA       ASN  33  10.632  -2.757  -3.408
  238    HB2  ASN  33           HB3      ASN  33   8.625  -0.723  -2.413
  239    HB3  ASN  33           HB2      ASN  33   8.692  -2.420  -1.947
  240   HD21  ASN  33          HD22      ASN  33   9.834   0.700  -1.143
  241   HD22  ASN  33          HD21      ASN  33  11.047   0.231  -0.052
  242    H    GLY  34           H        GLY  34  10.039  -1.029  -5.934
  243    HA2  GLY  34           HA3      GLY  34   7.439  -1.146  -6.831
  244    HA3  GLY  34           HA2      GLY  34   8.804  -1.512  -7.886
  245    H    VAL  35           H        VAL  35   9.323  -3.812  -5.814
  246    HA   VAL  35           HA       VAL  35   8.348  -5.952  -7.355
  247    HB   VAL  35           HB       VAL  35   8.929  -5.784  -4.384
  248   HG11  VAL  35          HG11      VAL  35   7.758  -7.946  -5.996
  249   HG12  VAL  35          HG12      VAL  35   7.821  -7.758  -4.244
  250   HG13  VAL  35          HG13      VAL  35   9.203  -8.431  -5.109
  251   HG21  VAL  35          HG21      VAL  35  10.729  -5.479  -6.247
  252   HG22  VAL  35          HG22      VAL  35  10.526  -7.212  -6.504
  253   HG23  VAL  35          HG23      VAL  35  11.063  -6.610  -4.936
  254    H    ILE  36           H        ILE  36   6.795  -4.152  -4.744
  255    HA   ILE  36           HA       ILE  36   4.475  -5.854  -4.527
  256    HB   ILE  36           HB       ILE  36   5.385  -3.970  -2.928
  257   HG12  ILE  36          HG13      ILE  36   2.434  -4.366  -3.516
  258   HG13  ILE  36          HG12      ILE  36   3.425  -5.358  -2.450
  259   HG21  ILE  36          HG21      ILE  36   3.325  -2.370  -4.445
  260   HG22  ILE  36          HG22      ILE  36   5.032  -2.293  -4.888
  261   HG23  ILE  36          HG23      ILE  36   4.517  -1.803  -3.274
  262   HD11  ILE  36          HD11      ILE  36   3.931  -3.188  -1.170
  263   HD12  ILE  36          HD12      ILE  36   2.307  -3.855  -0.996
  264   HD13  ILE  36          HD13      ILE  36   2.587  -2.485  -2.071
  265    H    ASP  37           H        ASP  37   5.397  -3.284  -6.678
  266    HA   ASP  37           HA       ASP  37   2.853  -2.397  -7.539
  267    HB2  ASP  37           HB3      ASP  37   5.430  -2.612  -9.115
  268    HB3  ASP  37           HB2      ASP  37   4.009  -1.706  -9.628
  269    H    SER  38           H        SER  38   4.650  -5.302  -8.457
  270    HA   SER  38           HA       SER  38   2.447  -5.942 -10.374
  271    HB2  SER  38           2HB      SER  38   5.359  -6.652 -10.305
  272    HB3  SER  38           1HB      SER  38   4.222  -7.690 -11.161
  273    H    LEU  39           H        LEU  39   4.744  -7.831  -8.371
  274    HA   LEU  39           HA       LEU  39   2.967 -10.068  -8.202
  275    HB2  LEU  39           HB3      LEU  39   5.416  -9.250  -6.670
  276    HB3  LEU  39           HB2      LEU  39   4.511 -10.693  -6.222
  277    HG   LEU  39           HG       LEU  39   6.407 -11.147  -7.809
  278   HD11  LEU  39          HD11      LEU  39   3.970 -11.740  -9.401
  279   HD12  LEU  39          HD12      LEU  39   3.957 -12.292  -7.727
  280   HD13  LEU  39          HD13      LEU  39   5.229 -12.829  -8.823
  281   HD21  LEU  39          HD21      LEU  39   6.317 -10.355 -10.064
  282   HD22  LEU  39          HD22      LEU  39   6.044  -8.941  -9.047
  283   HD23  LEU  39          HD23      LEU  39   4.684  -9.726  -9.852
  284    H    GLY  40           H        GLY  40   3.802  -7.609  -5.758
  285    HA2  GLY  40           HA3      GLY  40   1.845  -8.566  -3.868
  286    HA3  GLY  40           HA2      GLY  40   2.676  -7.019  -3.787
  287    H    LEU  41           H        LEU  41   1.829  -6.046  -6.351
  288    HA   LEU  41           HA       LEU  41  -0.614  -4.791  -5.651
  289    HB2  LEU  41           HB3      LEU  41   1.010  -3.991  -7.396
  290    HB3  LEU  41           HB2      LEU  41   0.423  -5.268  -8.460
  291    HG   LEU  41           HG       LEU  41  -1.937  -4.231  -7.879
  292   HD11  LEU  41          HD11      LEU  41  -1.131  -2.636  -6.221
  293   HD12  LEU  41          HD12      LEU  41  -1.750  -1.757  -7.619
  294   HD13  LEU  41          HD13      LEU  41  -0.010  -1.943  -7.393
  295   HD21  LEU  41          HD21      LEU  41  -1.722  -2.782  -9.864
  296   HD22  LEU  41          HD22      LEU  41  -0.901  -4.321 -10.127
  297   HD23  LEU  41          HD23      LEU  41   0.035  -2.875  -9.746
  298    H    LEU  42           H        LEU  42   0.023  -7.662  -7.639
  299    HA   LEU  42           HA       LEU  42  -2.710  -8.072  -8.433
  300    HB2  LEU  42           HB3      LEU  42  -0.710  -9.172  -9.496
  301    HB3  LEU  42           HB2      LEU  42  -0.567 -10.183  -8.064
  302    HG   LEU  42           HG       LEU  42  -3.114 -10.690  -8.539
  303   HD11  LEU  42          HD11      LEU  42  -2.018  -9.854 -11.234
  304   HD12  LEU  42          HD12      LEU  42  -3.353  -9.097 -10.367
  305   HD13  LEU  42          HD13      LEU  42  -3.527 -10.735 -10.998
  306   HD21  LEU  42          HD21      LEU  42  -0.614 -11.827  -9.717
  307   HD22  LEU  42          HD22      LEU  42  -2.151 -12.430 -10.337
  308   HD23  LEU  42          HD23      LEU  42  -1.776 -12.573  -8.619
  309    H    LYS  43           H        LYS  43  -0.771  -9.328  -5.720
  310    HA   LYS  43           HA       LYS  43  -2.818 -10.981  -4.607
  311    HB2  LYS  43           HB3      LYS  43  -0.482  -9.582  -3.294
  312    HB3  LYS  43           HB2      LYS  43  -1.463 -10.823  -2.522
  313    HG2  LYS  43           HG3      LYS  43  -0.868 -12.390  -4.371
  314    HG3  LYS  43           HG2      LYS  43   0.202 -11.153  -5.032
  315    HD2  LYS  43           HD3      LYS  43   1.439 -11.125  -2.859
  316    HD3  LYS  43           HD2      LYS  43   0.429 -12.462  -2.308
  317    HE2  LYS  43           HE3      LYS  43   1.952 -13.839  -3.248
  318    HE3  LYS  43           HE2      LYS  43   1.330 -13.299  -4.807
  319    HZ1  LYS  43           HZ1      LYS  43   3.116 -11.382  -3.740
  320    HZ2  LYS  43           HZ2      LYS  43   3.212 -12.230  -5.205
  321    HZ3  LYS  43           HZ3      LYS  43   3.868 -12.904  -3.790
  322    H    VAL  44           H        VAL  44  -2.043  -7.558  -4.251
  323    HA   VAL  44           HA       VAL  44  -3.676  -6.968  -2.006
  324    HB   VAL  44           HB       VAL  44  -2.929  -5.293  -4.413
  325   HG11  VAL  44          HG11      VAL  44  -4.917  -4.305  -3.506
  326   HG12  VAL  44          HG12      VAL  44  -3.563  -3.376  -2.863
  327   HG13  VAL  44          HG13      VAL  44  -4.370  -4.574  -1.852
  328   HG21  VAL  44          HG21      VAL  44  -1.881  -4.644  -1.748
  329   HG22  VAL  44          HG22      VAL  44  -1.021  -4.828  -3.277
  330   HG23  VAL  44          HG23      VAL  44  -1.409  -6.249  -2.307
  331    H    ILE  45           H        ILE  45  -4.497  -7.045  -5.473
  332    HA   ILE  45           HA       ILE  45  -7.169  -6.120  -5.222
  333    HB   ILE  45           HB       ILE  45  -5.646  -7.737  -7.214
  334   HG12  ILE  45          HG13      ILE  45  -6.579  -5.956  -8.715
  335   HG13  ILE  45          HG12      ILE  45  -7.393  -5.258  -7.315
  336   HG21  ILE  45          HG21      ILE  45  -8.652  -7.653  -6.979
  337   HG22  ILE  45          HG22      ILE  45  -7.609  -9.051  -7.242
  338   HG23  ILE  45          HG23      ILE  45  -7.854  -7.879  -8.535
  339   HD11  ILE  45          HD11      ILE  45  -4.403  -5.625  -7.653
  340   HD12  ILE  45          HD12      ILE  45  -5.180  -5.026  -6.188
  341   HD13  ILE  45          HD13      ILE  45  -5.278  -4.094  -7.682
  342    H    ALA  46           H        ALA  46  -5.913  -9.465  -5.247
  343    HA   ALA  46           HA       ALA  46  -8.449 -10.711  -4.775
  344    HB1  ALA  46           HB1      ALA  46  -6.904 -12.592  -3.855
  345    HB2  ALA  46           HB2      ALA  46  -5.581 -11.545  -4.375
  346    HB3  ALA  46           HB3      ALA  46  -6.749 -12.144  -5.554
  347    H    TRP  47           H        TRP  47  -5.861  -9.681  -2.548
  348    HA   TRP  47           HA       TRP  47  -7.194 -10.627  -0.175
  349    HB2  TRP  47           HB3      TRP  47  -4.943 -10.253   0.218
  350    HB3  TRP  47           HB2      TRP  47  -4.905  -8.794  -0.772
  351    HD1  TRP  47           HD1      TRP  47  -5.903 -10.036   2.706
  352    HE1  TRP  47           HE1      TRP  47  -6.138  -7.996   4.268
  353    HE3  TRP  47           HE3      TRP  47  -5.383  -6.266  -0.690
  354    HZ2  TRP  47           HZ2      TRP  47  -6.104  -5.136   4.091
  355    HZ3  TRP  47           HZ3      TRP  47  -5.484  -3.900   0.026
  356    HH2  TRP  47           HH2      TRP  47  -5.842  -3.331   2.406
  357    H    LEU  48           H        LEU  48  -7.105  -7.496  -1.853
  358    HA   LEU  48           HA       LEU  48  -8.546  -5.975   0.051
  359    HB2  LEU  48           HB3      LEU  48  -7.393  -5.089  -2.005
  360    HB3  LEU  48           HB2      LEU  48  -8.715  -5.732  -2.964
  361    HG   LEU  48           HG       LEU  48 -10.222  -4.374  -1.317
  362   HD11  LEU  48          HD11      LEU  48  -9.227  -2.803  -0.004
  363   HD12  LEU  48          HD12      LEU  48  -7.997  -2.439  -1.213
  364   HD13  LEU  48          HD13      LEU  48  -7.811  -3.840  -0.162
  365   HD21  LEU  48          HD21      LEU  48  -8.667  -3.570  -3.709
  366   HD22  LEU  48          HD22      LEU  48  -9.403  -2.247  -2.803
  367   HD23  LEU  48          HD23      LEU  48 -10.410  -3.546  -3.443
  368    H    GLU  49           H        GLU  49  -9.748  -7.888  -2.719
  369    HA   GLU  49           HA       GLU  49 -12.529  -7.374  -2.187
  370    HB2  GLU  49           HB3      GLU  49 -11.754  -8.207  -4.370
  371    HB3  GLU  49           HB2      GLU  49 -11.204  -9.699  -3.620
  372    HG2  GLU  49           HG3      GLU  49 -13.522 -10.184  -2.921
  373    HG3  GLU  49           HG2      GLU  49 -14.060  -8.716  -3.723
  374    H    ASP  50           H        ASP  50 -10.280  -9.911  -1.197
  375    HA   ASP  50           HA       ASP  50 -12.154 -11.595   0.129
  376    HB2  ASP  50           HB3      ASP  50  -9.220 -11.097   0.557
  377    HB3  ASP  50           HB2      ASP  50 -10.097 -12.371   1.373
  378    H    ARG  51           H        ARG  51 -10.265  -8.822   1.273
  379    HA   ARG  51           HA       ARG  51 -11.262  -9.137   4.007
  380    HB2  ARG  51           HB3      ARG  51  -8.970  -8.316   3.528
  381    HB3  ARG  51           HB2      ARG  51  -9.665  -6.872   2.792
  382    HG2  ARG  51           HG3      ARG  51 -10.792  -6.334   4.930
  383    HG3  ARG  51           HG2      ARG  51 -10.057  -7.759   5.665
  384    HD2  ARG  51           HD3      ARG  51  -7.805  -6.830   5.130
  385    HD3  ARG  51           HD2      ARG  51  -8.584  -5.373   4.513
  386    HE   ARG  51           HE       ARG  51  -9.613  -5.536   7.040
  387   HH11  ARG  51          HH22      ARG  51  -6.441  -5.814   5.718
  388   HH12  ARG  51          HH21      ARG  51  -5.655  -5.187   7.128
  389   HH21  ARG  51          HH11      ARG  51  -8.604  -4.715   8.888
  390   HH22  ARG  51          HH12      ARG  51  -6.879  -4.564   8.923
  391    H    PHE  52           H        PHE  52 -11.688  -6.609   1.465
  392    HA   PHE  52           HA       PHE  52 -13.841  -5.457   3.141
  393    HB2  PHE  52           HB3      PHE  52 -12.496  -4.461   0.620
  394    HB3  PHE  52           HB2      PHE  52 -13.742  -3.590   1.505
  395    HD1  PHE  52           HD1      PHE  52 -13.322  -2.853   3.865
  396    HD2  PHE  52           HD2      PHE  52 -10.233  -4.530   1.397
  397    HE1  PHE  52           HE1      PHE  52 -11.602  -1.953   5.408
  398    HE2  PHE  52           HE2      PHE  52  -8.512  -3.631   2.940
  399    HZ   PHE  52           HZ       PHE  52  -9.197  -2.343   4.946
  400    H    GLY  53           H        GLY  53 -13.653  -7.729   0.667
  401    HA2  GLY  53           HA3      GLY  53 -15.381  -8.683  -0.636
  402    HA3  GLY  53           HA2      GLY  53 -16.515  -7.701   0.292
  403    H    ILE  54           H        ILE  54 -13.817  -6.253  -1.406
  404    HA   ILE  54           HA       ILE  54 -15.776  -4.798  -3.106
  405    HB   ILE  54           HB       ILE  54 -12.821  -4.289  -2.649
  406   HG12  ILE  54          HG13      ILE  54 -15.203  -2.788  -1.531
  407   HG13  ILE  54          HG12      ILE  54 -14.363  -4.056  -0.639
  408   HG21  ILE  54          HG21      ILE  54 -15.007  -2.662  -3.981
  409   HG22  ILE  54          HG22      ILE  54 -13.594  -3.365  -4.768
  410   HG23  ILE  54          HG23      ILE  54 -13.395  -2.050  -3.609
  411   HD11  ILE  54          HD11      ILE  54 -12.233  -2.787  -0.919
  412   HD12  ILE  54          HD12      ILE  54 -13.443  -1.890  -0.001
  413   HD13  ILE  54          HD13      ILE  54 -13.143  -1.489  -1.692
  414    H    ALA  55           H        ALA  55 -15.703  -4.895  -5.347
  415    HA   ALA  55           HA       ALA  55 -14.674  -7.244  -6.583
  416    HB1  ALA  55           HB1      ALA  55 -14.952  -5.193  -8.549
  417    HB2  ALA  55           HB2      ALA  55 -16.235  -4.974  -7.359
  418    HB3  ALA  55           HB3      ALA  55 -16.063  -6.516  -8.197
  419    H    ALA  56           H        ALA  56 -12.914  -7.461  -8.085
  420    HA   ALA  56           HA       ALA  56 -10.471  -6.309  -7.251
  421    HB1  ALA  56           HB1      ALA  56 -11.333  -7.744  -9.752
  422    HB2  ALA  56           HB2      ALA  56 -10.256  -8.303  -8.473
  423    HB3  ALA  56           HB3      ALA  56  -9.703  -7.084  -9.622
  424    H    ASP  57           H        ASP  57 -12.757  -5.255  -9.738
  425    HA   ASP  57           HA       ASP  57 -12.789  -3.294 -11.032
  426    HB2  ASP  57           HB3      ASP  57 -11.195  -2.317  -8.653
  427    HB3  ASP  57           HB2      ASP  57 -11.876  -1.269  -9.893
  428    H    ASP  58           H        ASP  58 -10.960  -5.099 -11.930
  429    HA   ASP  58           HA       ASP  58  -8.273  -4.579 -12.072
  430    HB2  ASP  58           HB3      ASP  58 -10.139  -5.265 -14.342
  431    HB3  ASP  58           HB2      ASP  58  -8.383  -5.332 -14.474
  432    H    VAL  59           H        VAL  59  -7.199  -2.720 -12.347
  433    HA   VAL  59           HA       VAL  59  -8.080  -0.853 -14.493
  434    HB   VAL  59           HB       VAL  59  -8.927   0.016 -12.327
  435   HG11  VAL  59          HG11      VAL  59  -7.335   0.666 -10.580
  436   HG12  VAL  59          HG12      VAL  59  -5.994   0.060 -11.552
  437   HG13  VAL  59          HG13      VAL  59  -7.193  -1.061 -10.907
  438   HG21  VAL  59          HG21      VAL  59  -8.489   2.089 -13.103
  439   HG22  VAL  59          HG22      VAL  59  -7.348   1.360 -14.232
  440   HG23  VAL  59          HG23      VAL  59  -6.787   1.945 -12.666
  441    H    GLU  60           H        GLU  60  -6.312   0.224 -15.505
  442    HA   GLU  60           HA       GLU  60  -3.715  -1.074 -15.050
  443    HB2  GLU  60           HB3      GLU  60  -4.525  -0.620 -17.351
  444    HB3  GLU  60           HB2      GLU  60  -4.468   1.106 -17.014
  445    HG2  GLU  60           HG3      GLU  60  -2.062   0.934 -16.544
  446    HG3  GLU  60           HG2      GLU  60  -2.119  -0.786 -16.899
  447    H    LEU  61           H        LEU  61  -2.142  -0.241 -13.799
  448    HA   LEU  61           HA       LEU  61  -2.350   2.626 -12.995
  449    HB2  LEU  61           HB3      LEU  61  -0.983   0.382 -11.488
  450    HB3  LEU  61           HB2      LEU  61  -1.302   2.013 -10.905
  451    HG   LEU  61           HG       LEU  61  -3.352  -0.102 -11.574
  452   HD11  LEU  61          HD11      LEU  61  -2.559  -0.555  -9.414
  453   HD12  LEU  61          HD12      LEU  61  -3.949   0.485  -9.106
  454   HD13  LEU  61          HD13      LEU  61  -2.318   1.152  -9.043
  455   HD21  LEU  61          HD21      LEU  61  -4.426   1.854 -12.259
  456   HD22  LEU  61          HD22      LEU  61  -3.572   2.852 -11.082
  457   HD23  LEU  61          HD23      LEU  61  -4.873   1.786 -10.554
  458    H    SER  62           H        SER  62  -0.498   3.903 -13.182
  459    HA   SER  62           HA       SER  62   1.695   2.720 -14.784
  460    HB2  SER  62           HB3      SER  62   0.437   5.309 -14.632
  461    HB3  SER  62           HB2      SER  62   2.163   5.477 -14.322
  462    HG   SER  62           HG       SER  62   0.820   4.479 -16.582
  463    HA   PRO  63           HA       PRO  63   4.618   2.477 -11.511
  464    HB2  PRO  63           HB2      PRO  63   6.801   3.800 -12.655
  465    HB3  PRO  63           HB3      PRO  63   6.397   2.091 -12.886
  466    HG2  PRO  63           HG3      PRO  63   5.896   4.412 -14.657
  467    HG3  PRO  63           HG2      PRO  63   6.255   2.727 -15.069
  468    HD2  PRO  63           HD3      PRO  63   3.752   3.767 -15.274
  469    HD3  PRO  63           HD2      PRO  63   4.042   2.062 -14.863
  470    H    GLU  64           H        GLU  64   4.093   5.643 -12.950
  471    HA   GLU  64           HA       GLU  64   5.426   7.213 -10.963
  472    HB2  GLU  64           HB3      GLU  64   3.058   7.876 -12.718
  473    HB3  GLU  64           HB2      GLU  64   3.956   9.055 -11.775
  474    HG2  GLU  64           HG3      GLU  64   6.018   8.411 -12.986
  475    HG3  GLU  64           HG2      GLU  64   5.068   7.307 -13.973
  476    H    HIS  65           H        HIS  65   2.280   5.672 -11.063
  477    HA   HIS  65           HA       HIS  65   1.100   7.125  -8.880
  478    HB2  HIS  65           HB3      HIS  65  -0.261   5.795 -10.431
  479    HB3  HIS  65           HB2      HIS  65   0.542   4.320  -9.891
  480    HD1  HIS  65           HD1      HIS  65  -0.338   3.218  -7.797
  481    HD2  HIS  65           HD2      HIS  65  -1.874   7.062  -8.319
  482    HE1  HIS  65           HE1      HIS  65  -2.121   3.526  -6.022
  483    HE2  HIS  65           HE2      HIS  65  -3.057   5.864  -6.327
  484    H    PHE  66           H        PHE  66   3.351   4.455  -9.041
  485    HA   PHE  66           HA       PHE  66   3.030   3.944  -6.131
  486    HB2  PHE  66           HB3      PHE  66   4.746   2.542  -8.205
  487    HB3  PHE  66           HB2      PHE  66   4.538   2.031  -6.529
  488    HD1  PHE  66           HD2      PHE  66   2.282   1.302  -5.715
  489    HD2  PHE  66           HD1      PHE  66   3.076   2.099  -9.860
  490    HE1  PHE  66           HE2      PHE  66   0.218   0.079  -6.346
  491    HE2  PHE  66           HE1      PHE  66   1.013   0.876 -10.491
  492    HZ   PHE  66           HZ       PHE  66  -0.416  -0.133  -8.734
  493    H    ARG  67           H        ARG  67   4.569   6.190  -7.864
  494    HA   ARG  67           HA       ARG  67   7.299   6.060  -7.164
  495    HB2  ARG  67           HB3      ARG  67   6.299   7.740  -8.714
  496    HB3  ARG  67           HB2      ARG  67   5.578   8.554  -7.331
  497    HG2  ARG  67           HG3      ARG  67   7.553   9.773  -7.689
  498    HG3  ARG  67           HG2      ARG  67   8.015   8.649  -6.418
  499    HD2  ARG  67           HD3      ARG  67   9.013   7.141  -8.091
  500    HD3  ARG  67           HD2      ARG  67   8.520   8.239  -9.379
  501    HE   ARG  67           HE       ARG  67  10.063   9.744  -7.551
  502   HH11  ARG  67          HH22      ARG  67  10.343   7.045  -9.677
  503   HH12  ARG  67          HH21      ARG  67  12.022   7.310 -10.008
  504   HH21  ARG  67          HH11      ARG  67  12.254  10.106  -7.970
  505   HH22  ARG  67          HH12      ARG  67  13.105   9.043  -9.041
  506    H    SER  68           H        SER  68   4.535   7.252  -5.255
  507    HA   SER  68           HA       SER  68   6.315   7.141  -2.866
  508    HB2  SER  68           HB3      SER  68   5.497   9.274  -2.053
  509    HB3  SER  68           HB2      SER  68   6.143   9.508  -3.674
  510    HG   SER  68           HG       SER  68   4.155  10.484  -3.612
  511    H    ILE  69           H        ILE  69   5.155   6.852  -0.857
  512    HA   ILE  69           HA       ILE  69   2.957   5.060  -1.002
  513    HB   ILE  69           HB       ILE  69   3.903   6.759   1.323
  514   HG12  ILE  69          HG13      ILE  69   4.571   3.901   0.608
  515   HG13  ILE  69          HG12      ILE  69   5.619   5.267   0.260
  516   HG21  ILE  69          HG21      ILE  69   2.215   5.831   2.463
  517   HG22  ILE  69          HG22      ILE  69   2.872   4.238   2.091
  518   HG23  ILE  69          HG23      ILE  69   1.690   4.978   1.013
  519   HD11  ILE  69          HD11      ILE  69   5.435   3.805   2.684
  520   HD12  ILE  69          HD12      ILE  69   4.784   5.412   3.001
  521   HD13  ILE  69          HD13      ILE  69   6.418   5.233   2.362
  522    H    ARG  70           H        ARG  70   3.098   8.570  -0.531
  523    HA   ARG  70           HA       ARG  70   0.414   8.983   0.295
  524    HB2  ARG  70           HB3      ARG  70   2.160  10.748   0.308
  525    HB3  ARG  70           HB2      ARG  70   2.113  10.787  -1.455
  526    HG2  ARG  70           HG3      ARG  70  -0.263  11.426  -1.391
  527    HG3  ARG  70           HG2      ARG  70  -0.239  11.365   0.371
  528    HD2  ARG  70           HD3      ARG  70   0.039  13.674  -0.273
  529    HD3  ARG  70           HD2      ARG  70   1.597  13.099   0.321
  530    HE   ARG  70           HE       ARG  70   1.656  12.647  -2.437
  531   HH11  ARG  70          HH22      ARG  70   1.171  15.289  -0.275
  532   HH12  ARG  70          HH21      ARG  70   1.839  16.467  -1.354
  533   HH21  ARG  70          HH11      ARG  70   2.532  14.171  -3.858
  534   HH22  ARG  70          HH12      ARG  70   2.609  15.835  -3.382
  535    H    SER  71           H        SER  71   1.786   8.702  -2.986
  536    HA   SER  71           HA       SER  71  -0.591   9.361  -4.410
  537    HB2  SER  71           HB3      SER  71   1.664   9.080  -5.456
  538    HB3  SER  71           HB2      SER  71   1.531   7.343  -5.203
  539    HG   SER  71           HG       SER  71   0.585   8.783  -7.207
  540    H    ILE  72           H        ILE  72   0.581   6.262  -3.115
  541    HA   ILE  72           HA       ILE  72  -1.565   4.664  -4.119
  542    HB   ILE  72           HB       ILE  72   0.139   4.287  -1.638
  543   HG12  ILE  72          HG13      ILE  72   0.481   3.182  -4.444
  544   HG13  ILE  72          HG12      ILE  72   1.407   4.532  -3.786
  545   HG21  ILE  72          HG21      ILE  72  -0.594   1.833  -2.799
  546   HG22  ILE  72          HG22      ILE  72  -2.067   2.802  -2.769
  547   HG23  ILE  72          HG23      ILE  72  -1.178   2.503  -1.276
  548   HD11  ILE  72          HD11      ILE  72   1.471   2.361  -1.908
  549   HD12  ILE  72          HD12      ILE  72   2.817   3.104  -2.772
  550   HD13  ILE  72          HD13      ILE  72   1.941   1.756  -3.496
  551    H    ASP  73           H        ASP  73  -1.134   6.537  -1.139
  552    HA   ASP  73           HA       ASP  73  -3.381   5.639   0.303
  553    HB2  ASP  73           HB3      ASP  73  -2.162   8.411   0.134
  554    HB3  ASP  73           HB2      ASP  73  -3.346   7.920   1.343
  555    H    ALA  74           H        ALA  74  -3.156   8.065  -2.286
  556    HA   ALA  74           HA       ALA  74  -5.868   8.968  -2.104
  557    HB1  ALA  74           HB1      ALA  74  -3.725   9.053  -4.188
  558    HB2  ALA  74           HB2      ALA  74  -4.614  10.380  -3.441
  559    HB3  ALA  74           HB3      ALA  74  -5.380   9.398  -4.690
  560    H    PHE  75           H        PHE  75  -4.352   6.334  -3.945
  561    HA   PHE  75           HA       PHE  75  -6.686   5.582  -5.415
  562    HB2  PHE  75           HB3      PHE  75  -4.376   4.771  -5.908
  563    HB3  PHE  75           HB2      PHE  75  -4.457   3.780  -4.454
  564    HD1  PHE  75           HD2      PHE  75  -5.896   4.319  -7.822
  565    HD2  PHE  75           HD1      PHE  75  -5.777   1.764  -4.371
  566    HE1  PHE  75           HE2      PHE  75  -7.087   2.551  -9.090
  567    HE2  PHE  75           HE1      PHE  75  -6.968  -0.004  -5.639
  568    HZ   PHE  75           HZ       PHE  75  -7.623   0.390  -7.998
  569    H    VAL  76           H        VAL  76  -5.374   4.304  -2.341
  570    HA   VAL  76           HA       VAL  76  -7.576   2.522  -1.881
  571    HB   VAL  76           HB       VAL  76  -5.502   3.734  -0.041
  572   HG11  VAL  76          HG11      VAL  76  -7.705   1.737   0.483
  573   HG12  VAL  76          HG12      VAL  76  -7.350   3.221   1.367
  574   HG13  VAL  76          HG13      VAL  76  -6.264   1.837   1.493
  575   HG21  VAL  76          HG21      VAL  76  -5.519   0.848  -0.447
  576   HG22  VAL  76          HG22      VAL  76  -4.204   1.999  -0.687
  577   HG23  VAL  76          HG23      VAL  76  -5.374   1.714  -1.976
  578    H    VAL  77           H        VAL  77  -6.877   5.848  -0.811
  579    HA   VAL  77           HA       VAL  77  -9.095   6.115   0.951
  580    HB   VAL  77           HB       VAL  77  -7.577   8.143  -0.706
  581   HG11  VAL  77          HG11      VAL  77  -8.598   9.705   1.110
  582   HG12  VAL  77          HG12      VAL  77  -9.810   8.437   1.284
  583   HG13  VAL  77          HG13      VAL  77  -9.596   9.245  -0.268
  584   HG21  VAL  77          HG21      VAL  77  -7.394   8.138   2.232
  585   HG22  VAL  77          HG22      VAL  77  -6.109   8.220   1.028
  586   HG23  VAL  77          HG23      VAL  77  -6.792   6.659   1.484
  587    H    GLY  78           H        GLY  78  -8.772   6.757  -2.534
  588    HA2  GLY  78           HA3      GLY  78 -11.342   7.894  -2.941
  589    HA3  GLY  78           HA2      GLY  78 -10.412   7.057  -4.180
  590    H    ALA  79           H        ALA  79 -10.321   4.496  -2.793
  591    HA   ALA  79           HA       ALA  79 -13.088   3.643  -3.407
  592    HB1  ALA  79           HB1      ALA  79 -12.108   1.343  -3.345
  593    HB2  ALA  79           HB2      ALA  79 -10.543   2.062  -2.968
  594    HB3  ALA  79           HB3      ALA  79 -11.318   2.399  -4.516
  595    H    THR  80           H        THR  80 -10.668   3.170  -0.829
  596    HA   THR  80           HA       THR  80 -12.943   2.747   1.064
  597    HB   THR  80           HB       THR  80 -10.266   1.347   1.159
  598    HG1  THR  80           HG1      THR  80 -11.146  -0.049  -0.108
  599   HG21  THR  80          HG21      THR  80 -10.862   0.649   3.214
  600   HG22  THR  80          HG22      THR  80 -12.464   0.176   2.648
  601   HG23  THR  80          HG23      THR  80 -12.164   1.837   3.157
  602    H    THR  81           H        THR  81 -12.814   3.938   2.937
  603    HA   THR  81           HA       THR  81 -10.251   5.364   3.484
  604    HB   THR  81           HB       THR  81 -11.653   7.032   2.526
  605    HG1  THR  81           HG1      THR  81 -11.672   8.391   4.177
  606   HG21  THR  81          HG21      THR  81 -14.001   7.229   3.897
  607   HG22  THR  81          HG22      THR  81 -13.765   5.481   3.892
  608   HG23  THR  81          HG23      THR  81 -13.823   6.367   2.368
  609    HA   PRO  82           HA       PRO  82 -11.559   2.987   7.229
  610    HB2  PRO  82           HB2      PRO  82  -8.682   3.188   7.842
  611    HB3  PRO  82           HB3      PRO  82  -9.708   1.749   7.733
  612    HG2  PRO  82           HG3      PRO  82  -7.841   2.356   5.890
  613    HG3  PRO  82           HG2      PRO  82  -9.335   1.488   5.502
  614    HD2  PRO  82           HD3      PRO  82  -8.623   4.343   4.968
  615    HD3  PRO  82           HD2      PRO  82  -9.626   3.229   4.011
  616    HA   PRO  83           HA       PRO  83 -11.422   6.067  10.411
  617    HB2  PRO  83           HB2      PRO  83  -9.561   4.608  12.183
  618    HB3  PRO  83           HB3      PRO  83 -11.254   5.056  12.455
  619    HG2  PRO  83           HG3      PRO  83 -10.481   2.523  12.003
  620    HG3  PRO  83           HG2      PRO  83 -12.053   3.153  11.485
  621    HD2  PRO  83           HD3      PRO  83  -9.610   2.605   9.847
  622    HD3  PRO  83           HD2      PRO  83 -11.325   2.442   9.410
  623    H    VAL  84           H        VAL  84 -10.173   7.871  11.176
  624    HA   VAL  84           HA       VAL  84  -7.453   7.997   9.983
  625    HB   VAL  84           HB       VAL  84  -9.172  10.222  11.120
  626   HG11  VAL  84          HG11      VAL  84  -7.290  11.106   9.183
  627   HG12  VAL  84          HG12      VAL  84  -6.416  10.074  10.315
  628   HG13  VAL  84          HG13      VAL  84  -7.314  11.472  10.908
  629   HG21  VAL  84          HG21      VAL  84 -10.370   9.611   9.229
  630   HG22  VAL  84          HG22      VAL  84  -8.948   8.962   8.411
  631   HG23  VAL  84          HG23      VAL  84  -9.193  10.706   8.504
  632    H    GLU  85           H        GLU  85  -5.691   7.929  11.256
  633    HA   GLU  85           HA       GLU  85  -5.851   8.828  14.067
  634    HB2  GLU  85           HB3      GLU  85  -4.875   6.069  13.257
  635    HB3  GLU  85           HB2      GLU  85  -4.775   6.753  14.880
  636    HG2  GLU  85           HG3      GLU  85  -7.255   6.977  14.908
  637    HG3  GLU  85           HG2      GLU  85  -7.319   6.198  13.326
  638    H    ALA  86           H        ALA  86  -3.578   8.976  15.001
  639    HA   ALA  86           HA       ALA  86  -1.839  10.360  13.245
  640    HB1  ALA  86           HB1      ALA  86  -0.296  10.409  15.022
  641    HB2  ALA  86           HB2      ALA  86  -0.797   8.828  15.623
  642    HB3  ALA  86           HB3      ALA  86  -1.842  10.230  15.852
  643    H    LYS  87           H        LYS  87  -0.185   9.669  11.893
  644    HA   LYS  87           HA       LYS  87  -0.201   7.002  10.913
  645    HB2  LYS  87           HB3      LYS  87   0.717   9.020   9.706
  646    HB3  LYS  87           HB2      LYS  87   2.131   8.931  10.759
  647    HG2  LYS  87           HG3      LYS  87   2.548   6.614   9.985
  648    HG3  LYS  87           HG2      LYS  87   1.161   6.737   8.904
  649    HD2  LYS  87           HD3      LYS  87   2.276   8.736   7.837
  650    HD3  LYS  87           HD2      LYS  87   3.709   8.371   8.799
  651    HE2  LYS  87           HE3      LYS  87   2.386   6.480   6.830
  652    HE3  LYS  87           HE2      LYS  87   3.881   7.370   6.547
  653    HZ1  LYS  87           HZ1      LYS  87   4.554   6.225   8.783
  654    HZ2  LYS  87           HZ2      LYS  87   4.703   5.401   7.308
  655    HZ3  LYS  87           HZ3      LYS  87   3.374   5.093   8.320
  656    H    LEU  88           H        LEU  88   1.777   8.552  13.405
  657    HA   LEU  88           HA       LEU  88   3.695   6.486  13.757
  658    HB2  LEU  88           HB3      LEU  88   2.488   8.272  15.894
  659    HB3  LEU  88           HB2      LEU  88   4.026   7.416  16.000
  660    HG   LEU  88           HG       LEU  88   3.327   9.597  14.012
  661   HD11  LEU  88          HD11      LEU  88   5.579  10.354  15.401
  662   HD12  LEU  88          HD12      LEU  88   4.641   9.528  16.646
  663   HD13  LEU  88          HD13      LEU  88   3.941  10.892  15.774
  664   HD21  LEU  88          HD21      LEU  88   4.815   8.290  12.797
  665   HD22  LEU  88          HD22      LEU  88   5.605   7.663  14.243
  666   HD23  LEU  88          HD23      LEU  88   5.949   9.302  13.691
  667    H    GLN  89           H        GLN  89   0.394   6.832  14.983
  668    HA   GLN  89           HA       GLN  89   0.663   4.186  16.338
  669    HB2  GLN  89           HB3      GLN  89  -1.480   6.321  16.581
  670    HB3  GLN  89           HB2      GLN  89  -1.459   4.799  17.472
  671    HG2  GLN  89           HG3      GLN  89   0.757   5.435  18.431
  672    HG3  GLN  89           HG2      GLN  89   0.625   6.996  17.621
  673   HE21  GLN  89          HE22      GLN  89  -0.657   8.606  18.625
  674   HE22  GLN  89          HE21      GLN  89  -1.556   8.348  20.041
  675    H1   PN7 101           3HO      SAT  38   2.695  -1.178 -15.505
  676    H2   PN7 101           1H1      SAT  38   6.092  -2.324 -11.599
  677    H3   PN7 101           2H1      SAT  38   4.410  -2.852 -11.561
  678    H5   PN7 101          3HE1      SAT  38   6.983  -1.428 -13.583
  679    H6   PN7 101          1HE1      SAT  38   6.031  -0.205 -14.424
  680    H7   PN7 101          2HE1      SAT  38   5.994  -1.881 -14.971
  681    H8   PN7 101          2HE2      SAT  38   4.037   0.457 -13.039
  682    H9   PN7 101          3HE2      SAT  38   5.450   0.200 -12.016
  683    H10  PN7 101          1HE2      SAT  38   3.895  -0.493 -11.560
  684    H11  PN7 101           3H       SAT  38   3.759  -2.987 -14.263
  685    H12  PN7 101           5H       SAT  38   1.485  -0.033 -13.650
  686    H13  PN7 101           2H6      SAT  38   0.019  -1.239 -15.258
  687    H14  PN7 101           1H6      SAT  38  -0.609  -1.505 -13.632
  688    H15  PN7 101           1H7      SAT  38   1.434  -3.328 -14.927
  689    H16  PN7 101           2H7      SAT  38  -0.304  -3.608 -15.030
  690    H17  PN7 101           9H       SAT  38   1.984  -5.140 -13.238
  691    H18  PN7 101          2H10      SAT  38  -0.751  -6.056 -12.660
  692    H19  PN7 101          1H10      SAT  38   0.351  -6.083 -11.283
  693    H20  PN7 101          1H11      SAT  38   0.550  -8.253 -12.189
  694    H21  PN7 101          2H11      SAT  38   1.941  -7.400 -12.858
  695    H22  PN7 101          2HS1      SAT  38  -0.655  -7.527 -14.571
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1   3.182  11.026   2.541
    2    H2   MET   1           H2       MET   1   2.188  11.754   3.711
    3    H3   MET   1           H3       MET   1   1.551  10.577   2.664
    4    HA   MET   1           HA       MET   1   2.766   8.848   3.674
    5    HB2  MET   1           HB3      MET   1   4.174  11.094   5.146
    6    HB3  MET   1           HB2      MET   1   4.372   9.382   5.525
    7    HG2  MET   1           HG3      MET   1   5.063   9.007   3.141
    8    HG3  MET   1           HG2      MET   1   5.041  10.754   2.909
    9    HE1  MET   1           HE1      MET   1   6.250  11.658   6.029
   10    HE2  MET   1           HE2      MET   1   6.037  12.330   4.415
   11    HE3  MET   1           HE3      MET   1   7.657  12.193   5.113
   12    H    GLN   2           H        GLN   2   0.359  10.646   4.182
   13    HA   GLN   2           HA       GLN   2  -0.137  10.867   6.971
   14    HB2  GLN   2           HB3      GLN   2  -2.084  10.324   4.707
   15    HB3  GLN   2           HB2      GLN   2  -2.549  10.816   6.336
   16    HG2  GLN   2           HG3      GLN   2  -1.264  12.898   6.093
   17    HG3  GLN   2           HG2      GLN   2  -0.759  12.406   4.475
   18   HE21  GLN   2          HE22      GLN   2  -2.240  14.810   4.837
   19   HE22  GLN   2          HE21      GLN   2  -3.783  14.608   4.160
   20    H    HIS   3           H        HIS   3  -0.516   8.144   4.745
   21    HA   HIS   3           HA       HIS   3  -0.915   6.380   7.123
   22    HB2  HIS   3           HB3      HIS   3  -2.299   6.008   4.452
   23    HB3  HIS   3           HB2      HIS   3  -2.566   5.082   5.931
   24    HD1  HIS   3           HD1      HIS   3  -4.064   7.720   4.092
   25    HD2  HIS   3           HD2      HIS   3  -3.351   7.105   8.155
   26    HE1  HIS   3           HE1      HIS   3  -5.626   9.278   5.339
   27    HE2  HIS   3           HE2      HIS   3  -5.205   8.908   7.813
   28    H    ALA   4           H        ALA   4   1.378   7.146   5.234
   29    HA   ALA   4           HA       ALA   4   1.998   4.971   3.524
   30    HB1  ALA   4           HB1      ALA   4   3.569   7.097   4.908
   31    HB2  ALA   4           HB2      ALA   4   3.460   6.721   3.188
   32    HB3  ALA   4           HB3      ALA   4   4.460   5.726   4.247
   33    H    SER   5           H        SER   5   2.529   5.374   7.017
   34    HA   SER   5           HA       SER   5   4.218   3.114   7.374
   35    HB2  SER   5           HB3      SER   5   2.144   4.151   9.320
   36    HB3  SER   5           HB2      SER   5   3.553   3.174   9.717
   37    HG   SER   5           HG       SER   5   4.030   5.332  10.085
   38    H    VAL   6           H        VAL   6   0.664   3.365   7.351
   39    HA   VAL   6           HA       VAL   6   0.198   0.606   7.999
   40    HB   VAL   6           HB       VAL   6  -1.481   2.574   6.434
   41   HG11  VAL   6          HG11      VAL   6  -3.333   0.902   7.071
   42   HG12  VAL   6          HG12      VAL   6  -2.027  -0.242   7.378
   43   HG13  VAL   6          HG13      VAL   6  -2.250   0.427   5.762
   44   HG21  VAL   6          HG21      VAL   6  -1.228   1.796   9.317
   45   HG22  VAL   6          HG22      VAL   6  -2.818   2.250   8.704
   46   HG23  VAL   6          HG23      VAL   6  -1.478   3.391   8.609
   47    H    ILE   7           H        ILE   7   0.572   2.348   4.943
   48    HA   ILE   7           HA       ILE   7   0.092   0.161   3.200
   49    HB   ILE   7           HB       ILE   7   1.971   2.517   2.850
   50   HG12  ILE   7          HG13      ILE   7  -0.900   2.133   1.939
   51   HG13  ILE   7          HG12      ILE   7  -0.429   3.066   3.359
   52   HG21  ILE   7          HG21      ILE   7   1.417   2.040   0.383
   53   HG22  ILE   7          HG22      ILE   7   0.837   0.469   0.934
   54   HG23  ILE   7          HG23      ILE   7   2.525   0.918   1.173
   55   HD11  ILE   7          HD11      ILE   7   1.087   3.811   0.970
   56   HD12  ILE   7          HD12      ILE   7   0.213   4.835   2.108
   57   HD13  ILE   7          HD13      ILE   7  -0.648   4.059   0.779
   58    H    ALA   8           H        ALA   8   3.139   1.360   4.615
   59    HA   ALA   8           HA       ALA   8   4.810  -0.668   3.474
   60    HB1  ALA   8           HB1      ALA   8   5.592   0.297   6.144
   61    HB2  ALA   8           HB2      ALA   8   5.247   1.584   4.987
   62    HB3  ALA   8           HB3      ALA   8   6.475   0.373   4.619
   63    H    GLN   9           H        GLN   9   3.152  -0.444   6.614
   64    HA   GLN   9           HA       GLN   9   4.087  -3.000   7.538
   65    HB2  GLN   9           HB3      GLN   9   2.999  -2.480   9.460
   66    HB3  GLN   9           HB2      GLN   9   2.830  -0.891   8.727
   67    HG2  GLN   9           HG3      GLN   9   0.646  -1.463   9.432
   68    HG3  GLN   9           HG2      GLN   9   0.649  -1.790   7.706
   69   HE21  GLN   9          HE22      GLN   9  -0.869  -3.531   7.690
   70   HE22  GLN   9          HE21      GLN   9  -0.598  -5.003   8.490
   71    H    PHE  10           H        PHE  10   1.280  -1.977   5.684
   72    HA   PHE  10           HA       PHE  10  -0.189  -4.423   5.862
   73    HB2  PHE  10           HB3      PHE  10  -1.000  -2.182   4.956
   74    HB3  PHE  10           HB2      PHE  10  -0.117  -2.557   3.478
   75    HD1  PHE  10           HD2      PHE  10  -2.922  -3.537   5.662
   76    HD2  PHE  10           HD1      PHE  10  -0.897  -4.268   1.947
   77    HE1  PHE  10           HE2      PHE  10  -4.847  -4.891   4.882
   78    HE2  PHE  10           HE1      PHE  10  -2.823  -5.621   1.164
   79    HZ   PHE  10           HZ       PHE  10  -4.799  -5.928   2.634
   80    H    VAL  11           H        VAL  11   2.085  -3.262   3.370
   81    HA   VAL  11           HA       VAL  11   2.067  -5.795   1.958
   82    HB   VAL  11           HB       VAL  11   2.584  -3.658   0.830
   83   HG11  VAL  11          HG11      VAL  11   3.871  -2.780   2.871
   84   HG12  VAL  11          HG12      VAL  11   4.566  -2.426   1.290
   85   HG13  VAL  11          HG13      VAL  11   5.235  -3.725   2.277
   86   HG21  VAL  11          HG21      VAL  11   3.451  -5.817  -0.057
   87   HG22  VAL  11          HG22      VAL  11   4.938  -5.572   0.858
   88   HG23  VAL  11          HG23      VAL  11   4.511  -4.463  -0.445
   89    H    VAL  12           H        VAL  12   4.414  -4.215   4.143
   90    HA   VAL  12           HA       VAL  12   6.392  -6.249   4.063
   91    HB   VAL  12           HB       VAL  12   5.653  -4.292   6.233
   92   HG11  VAL  12          HG11      VAL  12   6.804  -5.947   7.436
   93   HG12  VAL  12          HG12      VAL  12   8.101  -4.856   6.946
   94   HG13  VAL  12          HG13      VAL  12   7.832  -6.360   6.064
   95   HG21  VAL  12          HG21      VAL  12   8.230  -3.972   4.957
   96   HG22  VAL  12          HG22      VAL  12   6.888  -2.832   5.033
   97   HG23  VAL  12          HG23      VAL  12   6.955  -4.030   3.742
   98    H    GLU  13           H        GLU  13   3.467  -5.997   6.033
   99    HA   GLU  13           HA       GLU  13   4.041  -8.029   7.915
  100    HB2  GLU  13           HB3      GLU  13   2.035  -6.558   8.010
  101    HB3  GLU  13           HB2      GLU  13   1.356  -7.448   6.653
  102    HG2  GLU  13           HG3      GLU  13   1.523  -9.543   8.008
  103    HG3  GLU  13           HG2      GLU  13   2.047  -8.560   9.373
  104    H    GLU  14           H        GLU  14   2.913  -8.237   4.591
  105    HA   GLU  14           HA       GLU  14   2.288 -11.034   4.618
  106    HB2  GLU  14           HB3      GLU  14   1.553  -9.428   2.855
  107    HB3  GLU  14           HB2      GLU  14   3.218  -9.355   2.276
  108    HG2  GLU  14           HG3      GLU  14   3.170 -11.822   1.929
  109    HG3  GLU  14           HG2      GLU  14   1.472 -11.828   2.406
  110    H    PHE  15           H        PHE  15   5.324  -9.287   4.018
  111    HA   PHE  15           HA       PHE  15   6.658 -11.886   3.449
  112    HB2  PHE  15           HB3      PHE  15   7.810  -9.091   3.284
  113    HB3  PHE  15           HB2      PHE  15   8.524 -10.572   2.641
  114    HD1  PHE  15           HD1      PHE  15   5.886  -8.070   2.245
  115    HD2  PHE  15           HD2      PHE  15   7.589 -11.666   0.648
  116    HE1  PHE  15           HE1      PHE  15   4.570  -7.763   0.176
  117    HE2  PHE  15           HE2      PHE  15   6.278 -11.361  -1.437
  118    HZ   PHE  15           HZ       PHE  15   4.766  -9.408  -1.675
  119    H    LEU  16           H        LEU  16   7.374  -8.972   5.429
  120    HA   LEU  16           HA       LEU  16   8.700 -10.814   7.386
  121    HB2  LEU  16           HB3      LEU  16   9.713  -8.513   5.963
  122    HB3  LEU  16           HB2      LEU  16   9.788  -8.234   7.701
  123    HG   LEU  16           HG       LEU  16  10.921 -10.425   7.986
  124   HD11  LEU  16          HD11      LEU  16  10.477 -11.875   6.283
  125   HD12  LEU  16          HD12      LEU  16  11.878 -11.118   5.525
  126   HD13  LEU  16          HD13      LEU  16  10.251 -10.579   5.108
  127   HD21  LEU  16          HD21      LEU  16  12.065  -8.292   6.199
  128   HD22  LEU  16          HD22      LEU  16  13.022  -9.728   6.565
  129   HD23  LEU  16          HD23      LEU  16  12.475  -8.677   7.871
  130    HA   PRO  17           HA       PRO  17   5.580  -8.489   9.801
  131    HB2  PRO  17           HB2      PRO  17   4.247 -10.677  10.767
  132    HB3  PRO  17           HB3      PRO  17   3.870  -9.905   9.217
  133    HG2  PRO  17           HG3      PRO  17   5.100 -12.481   9.735
  134    HG3  PRO  17           HG2      PRO  17   4.416 -11.840   8.237
  135    HD2  PRO  17           HD3      PRO  17   7.217 -12.007   9.015
  136    HD3  PRO  17           HD2      PRO  17   6.527 -11.534   7.448
  137    H    ASP  18           H        ASP  18   7.713 -11.155  10.598
  138    HA   ASP  18           HA       ASP  18   7.418 -10.899  13.482
  139    HB2  ASP  18           HB3      ASP  18   9.501 -12.248  11.756
  140    HB3  ASP  18           HB2      ASP  18   9.467 -12.349  13.512
  141    H    VAL  19           H        VAL  19   8.769  -8.977  11.156
  142    HA   VAL  19           HA       VAL  19  10.807  -7.856  13.037
  143    HB   VAL  19           HB       VAL  19  10.625  -7.495  10.027
  144   HG11  VAL  19          HG11      VAL  19  13.213  -7.058  11.230
  145   HG12  VAL  19          HG12      VAL  19  12.003  -6.062  12.038
  146   HG13  VAL  19          HG13      VAL  19  12.227  -5.936  10.293
  147   HG21  VAL  19          HG21      VAL  19  12.006  -9.508  11.757
  148   HG22  VAL  19          HG22      VAL  19  12.864  -8.914  10.335
  149   HG23  VAL  19          HG23      VAL  19  11.299  -9.707  10.154
  150    H    ALA  20           H        ALA  20  10.669  -5.558  13.425
  151    HA   ALA  20           HA       ALA  20   8.052  -4.464  13.376
  152    HB1  ALA  20           HB1      ALA  20  10.436  -2.653  13.323
  153    HB2  ALA  20           HB2      ALA  20  10.241  -3.757  14.685
  154    HB3  ALA  20           HB3      ALA  20   8.990  -2.566  14.329
  155    HA   PRO  21           HA       PRO  21   8.157  -3.569   8.929
  156    HB2  PRO  21           HB2      PRO  21   5.617  -2.267   9.072
  157    HB3  PRO  21           HB3      PRO  21   5.978  -3.884   8.453
  158    HG2  PRO  21           HG3      PRO  21   4.639  -3.174  10.859
  159    HG3  PRO  21           HG2      PRO  21   4.984  -4.785  10.221
  160    HD2  PRO  21           HD3      PRO  21   6.218  -3.455  12.456
  161    HD3  PRO  21           HD2      PRO  21   6.527  -5.088  11.837
  162    H    ALA  22           H        ALA  22   7.529  -1.308  11.518
  163    HA   ALA  22           HA       ALA  22   7.649   1.102   9.941
  164    HB1  ALA  22           HB1      ALA  22   6.820   1.656  12.000
  165    HB2  ALA  22           HB2      ALA  22   8.523   1.909  12.384
  166    HB3  ALA  22           HB3      ALA  22   7.737   0.391  12.820
  167    H    ASP  23           H        ASP  23  10.038  -1.147  10.994
  168    HA   ASP  23           HA       ASP  23  12.259   0.762  10.891
  169    HB2  ASP  23           HB3      ASP  23  12.273  -1.276  12.361
  170    HB3  ASP  23           HB2      ASP  23  12.354  -2.269  10.906
  171    H    VAL  24           H        VAL  24  10.378  -0.792   8.585
  172    HA   VAL  24           HA       VAL  24  12.388  -1.483   6.643
  173    HB   VAL  24           HB       VAL  24  10.550  -1.582   5.064
  174   HG11  VAL  24          HG11      VAL  24  10.370  -2.753   7.738
  175   HG12  VAL  24          HG12      VAL  24  10.117  -3.507   6.165
  176   HG13  VAL  24          HG13      VAL  24   8.800  -2.631   6.945
  177   HG21  VAL  24          HG21      VAL  24   9.345   0.316   7.002
  178   HG22  VAL  24          HG22      VAL  24   8.239  -0.848   6.270
  179   HG23  VAL  24          HG23      VAL  24   9.177   0.242   5.248
  180    H    ASP  25           H        ASP  25  13.307  -0.189   5.032
  181    HA   ASP  25           HA       ASP  25  13.372   2.655   5.515
  182    HB2  ASP  25           HB3      ASP  25  14.343   0.994   3.170
  183    HB3  ASP  25           HB2      ASP  25  14.674   2.716   3.366
  184    H    VAL  26           H        VAL  26  11.052   3.144   5.392
  185    HA   VAL  26           HA       VAL  26   9.487   2.706   3.035
  186    HB   VAL  26           HB       VAL  26   7.983   4.404   3.935
  187   HG11  VAL  26          HG11      VAL  26   9.295   2.777   6.136
  188   HG12  VAL  26          HG12      VAL  26   8.020   2.210   5.058
  189   HG13  VAL  26          HG13      VAL  26   7.687   3.496   6.217
  190   HG21  VAL  26          HG21      VAL  26   9.209   5.275   6.291
  191   HG22  VAL  26          HG22      VAL  26   8.953   6.238   4.835
  192   HG23  VAL  26          HG23      VAL  26  10.482   5.391   5.076
  193    H    ASP  27           H        ASP  27  12.297   4.332   3.185
  194    HA   ASP  27           HA       ASP  27  11.473   6.587   1.437
  195    HB2  ASP  27           HB3      ASP  27  14.149   5.840   2.658
  196    HB3  ASP  27           HB2      ASP  27  13.887   7.244   1.623
  197    H    LEU  28           H        LEU  28  12.019   3.424   1.019
  198    HA   LEU  28           HA       LEU  28  13.666   3.694  -1.444
  199    HB2  LEU  28           HB3      LEU  28  14.225   1.908   0.218
  200    HB3  LEU  28           HB2      LEU  28  12.646   1.187  -0.082
  201    HG   LEU  28           HG       LEU  28  13.618   1.504  -2.636
  202   HD11  LEU  28          HD11      LEU  28  15.932   0.550  -0.935
  203   HD12  LEU  28          HD12      LEU  28  15.822   2.183  -1.592
  204   HD13  LEU  28          HD13      LEU  28  15.916   0.799  -2.681
  205   HD21  LEU  28          HD21      LEU  28  12.535  -0.507  -1.907
  206   HD22  LEU  28          HD22      LEU  28  13.786  -0.821  -0.703
  207   HD23  LEU  28          HD23      LEU  28  14.154  -0.981  -2.420
  208    H    ASP  29           H        ASP  29  12.779   3.343  -3.466
  209    HA   ASP  29           HA       ASP  29   9.956   3.571  -3.803
  210    HB2  ASP  29           HB3      ASP  29  12.086   2.548  -5.711
  211    HB3  ASP  29           HB2      ASP  29  10.425   2.912  -6.179
  212    H    LEU  30           H        LEU  30   8.446   2.019  -3.437
  213    HA   LEU  30           HA       LEU  30   9.190  -0.664  -2.743
  214    HB2  LEU  30           HB3      LEU  30   6.771  -1.098  -2.664
  215    HB3  LEU  30           HB2      LEU  30   7.151   0.433  -1.874
  216    HG   LEU  30           HG       LEU  30   6.728   0.949  -4.657
  217   HD11  LEU  30          HD11      LEU  30   5.424  -1.066  -4.831
  218   HD12  LEU  30          HD12      LEU  30   4.284   0.274  -4.704
  219   HD13  LEU  30          HD13      LEU  30   4.611  -0.740  -3.300
  220   HD21  LEU  30          HD21      LEU  30   6.409   2.558  -2.839
  221   HD22  LEU  30          HD22      LEU  30   5.110   1.572  -2.168
  222   HD23  LEU  30          HD23      LEU  30   4.900   2.362  -3.730
  223    H    VAL  31           H        VAL  31   9.388   0.659  -5.703
  224    HA   VAL  31           HA       VAL  31   7.981  -1.082  -7.442
  225    HB   VAL  31           HB       VAL  31  10.664   0.288  -7.774
  226   HG11  VAL  31          HG11      VAL  31   9.720  -0.184 -10.305
  227   HG12  VAL  31          HG12      VAL  31   9.247  -1.664  -9.471
  228   HG13  VAL  31          HG13      VAL  31  10.940  -1.170  -9.498
  229   HG21  VAL  31          HG21      VAL  31   7.804   0.941  -8.435
  230   HG22  VAL  31          HG22      VAL  31   9.093   1.581  -9.451
  231   HG23  VAL  31          HG23      VAL  31   9.047   1.974  -7.734
  232    H    ASP  32           H        ASP  32  11.097  -1.487  -5.810
  233    HA   ASP  32           HA       ASP  32  11.933  -3.879  -7.076
  234    HB2  ASP  32           HB3      ASP  32  12.260  -2.991  -4.191
  235    HB3  ASP  32           HB2      ASP  32  13.104  -4.368  -4.900
  236    H    ASN  33           H        ASN  33   9.610  -3.299  -4.496
  237    HA   ASN  33           HA       ASN  33   9.057  -6.164  -4.152
  238    HB2  ASN  33           HB3      ASN  33   7.619  -3.750  -3.035
  239    HB3  ASN  33           HB2      ASN  33   7.386  -5.420  -2.522
  240   HD21  ASN  33          HD22      ASN  33   8.717  -2.771  -1.335
  241   HD22  ASN  33          HD21      ASN  33  10.121  -3.385  -0.605
  242    H    GLY  34           H        GLY  34   8.564  -4.393  -6.663
  243    HA2  GLY  34           HA3      GLY  34   5.913  -3.986  -7.281
  244    HA3  GLY  34           HA2      GLY  34   7.053  -4.645  -8.457
  245    H    VAL  35           H        VAL  35   7.319  -6.967  -6.347
  246    HA   VAL  35           HA       VAL  35   5.750  -8.872  -7.704
  247    HB   VAL  35           HB       VAL  35   7.577  -9.228  -5.895
  248   HG11  VAL  35          HG11      VAL  35   5.154  -9.340  -4.104
  249   HG12  VAL  35          HG12      VAL  35   6.141  -7.886  -4.234
  250   HG13  VAL  35          HG13      VAL  35   6.856  -9.386  -3.643
  251   HG21  VAL  35          HG21      VAL  35   6.679 -11.447  -5.377
  252   HG22  VAL  35          HG22      VAL  35   6.305 -11.040  -7.052
  253   HG23  VAL  35          HG23      VAL  35   5.055 -10.916  -5.815
  254    H    ILE  36           H        ILE  36   4.926  -6.738  -5.029
  255    HA   ILE  36           HA       ILE  36   2.327  -7.888  -4.497
  256    HB   ILE  36           HB       ILE  36   3.765  -6.277  -3.033
  257   HG12  ILE  36          HG13      ILE  36   0.776  -6.004  -3.448
  258   HG13  ILE  36          HG12      ILE  36   1.607  -7.043  -2.295
  259   HG21  ILE  36          HG21      ILE  36   3.501  -3.961  -3.397
  260   HG22  ILE  36          HG22      ILE  36   2.117  -4.197  -4.465
  261   HG23  ILE  36          HG23      ILE  36   3.741  -4.598  -5.024
  262   HD11  ILE  36          HD11      ILE  36   1.338  -5.368  -0.801
  263   HD12  ILE  36          HD12      ILE  36   0.893  -4.218  -2.061
  264   HD13  ILE  36          HD13      ILE  36   2.593  -4.513  -1.698
  265    H    ASP  37           H        ASP  37   3.551  -5.603  -6.816
  266    HA   ASP  37           HA       ASP  37   1.157  -4.208  -7.412
  267    HB2  ASP  37           HB3      ASP  37   3.516  -4.868  -9.185
  268    HB3  ASP  37           HB2      ASP  37   2.228  -3.757  -9.633
  269    H    SER  38           H        SER  38   2.194  -7.428  -8.446
  270    HA   SER  38           HA       SER  38  -0.204  -7.538 -10.223
  271    HB2  SER  38           2HB      SER  38   2.447  -8.884 -10.261
  272    HB3  SER  38           1HB      SER  38   1.066  -9.808 -10.840
  273    H    LEU  39           H        LEU  39   1.564  -9.908  -8.196
  274    HA   LEU  39           HA       LEU  39  -0.820 -11.486  -7.832
  275    HB2  LEU  39           HB3      LEU  39   1.865 -11.534  -6.468
  276    HB3  LEU  39           HB2      LEU  39   0.592 -12.694  -6.113
  277    HG   LEU  39           HG       LEU  39   0.578 -12.996  -8.740
  278   HD11  LEU  39          HD11      LEU  39   2.168 -11.249  -9.280
  279   HD12  LEU  39          HD12      LEU  39   2.925 -12.805  -9.616
  280   HD13  LEU  39          HD13      LEU  39   3.348 -11.919  -8.152
  281   HD21  LEU  39          HD21      LEU  39   2.516 -14.124  -6.727
  282   HD22  LEU  39          HD22      LEU  39   2.508 -14.696  -8.396
  283   HD23  LEU  39          HD23      LEU  39   1.065 -14.871  -7.396
  284    H    GLY  40           H        GLY  40   1.022  -9.419  -5.579
  285    HA2  GLY  40           HA3      GLY  40  -0.864  -9.736  -3.430
  286    HA3  GLY  40           HA2      GLY  40   0.347  -8.463  -3.540
  287    H    LEU  41           H        LEU  41  -0.526  -7.377  -6.039
  288    HA   LEU  41           HA       LEU  41  -2.458  -5.503  -5.153
  289    HB2  LEU  41           HB3      LEU  41  -0.889  -5.195  -7.094
  290    HB3  LEU  41           HB2      LEU  41  -1.896  -6.301  -8.025
  291    HG   LEU  41           HG       LEU  41  -3.324  -4.065  -6.688
  292   HD11  LEU  41          HD11      LEU  41  -1.500  -3.644  -9.075
  293   HD12  LEU  41          HD12      LEU  41  -1.298  -2.922  -7.479
  294   HD13  LEU  41          HD13      LEU  41  -2.680  -2.477  -8.480
  295   HD21  LEU  41          HD21      LEU  41  -3.493  -4.765  -9.595
  296   HD22  LEU  41          HD22      LEU  41  -4.779  -4.307  -8.480
  297   HD23  LEU  41          HD23      LEU  41  -4.104  -5.934  -8.427
  298    H    LEU  42           H        LEU  42  -2.820  -8.467  -7.079
  299    HA   LEU  42           HA       LEU  42  -5.607  -8.189  -7.605
  300    HB2  LEU  42           HB3      LEU  42  -4.125  -9.922  -8.652
  301    HB3  LEU  42           HB2      LEU  42  -4.088 -10.764  -7.111
  302    HG   LEU  42           HG       LEU  42  -6.603 -10.874  -7.184
  303   HD11  LEU  42          HD11      LEU  42  -7.595  -9.536  -8.702
  304   HD12  LEU  42          HD12      LEU  42  -7.059 -10.682  -9.929
  305   HD13  LEU  42          HD13      LEU  42  -6.077  -9.268  -9.556
  306   HD21  LEU  42          HD21      LEU  42  -6.379 -12.443  -9.419
  307   HD22  LEU  42          HD22      LEU  42  -5.870 -12.941  -7.806
  308   HD23  LEU  42          HD23      LEU  42  -4.689 -12.284  -8.939
  309    H    LYS  43           H        LYS  43  -3.868  -9.655  -4.868
  310    HA   LYS  43           HA       LYS  43  -6.237 -10.466  -3.452
  311    HB2  LYS  43           HB3      LYS  43  -3.446  -9.846  -2.468
  312    HB3  LYS  43           HB2      LYS  43  -4.699 -10.611  -1.498
  313    HG2  LYS  43           HG3      LYS  43  -4.851 -12.432  -3.198
  314    HG3  LYS  43           HG2      LYS  43  -3.503 -11.692  -4.063
  315    HD2  LYS  43           HD3      LYS  43  -2.113 -11.913  -1.998
  316    HD3  LYS  43           HD2      LYS  43  -3.449 -12.772  -1.230
  317    HE2  LYS  43           HE3      LYS  43  -3.318 -14.265  -3.413
  318    HE3  LYS  43           HE2      LYS  43  -1.664 -13.657  -3.468
  319    HZ1  LYS  43           HZ1      LYS  43  -1.308 -15.393  -2.103
  320    HZ2  LYS  43           HZ2      LYS  43  -2.915 -15.460  -1.566
  321    HZ3  LYS  43           HZ3      LYS  43  -1.849 -14.314  -0.906
  322    H    VAL  44           H        VAL  44  -4.299  -7.508  -3.499
  323    HA   VAL  44           HA       VAL  44  -5.510  -6.239  -1.244
  324    HB   VAL  44           HB       VAL  44  -4.218  -5.081  -3.722
  325   HG11  VAL  44          HG11      VAL  44  -3.995  -3.218  -1.692
  326   HG12  VAL  44          HG12      VAL  44  -5.640  -3.819  -1.485
  327   HG13  VAL  44          HG13      VAL  44  -5.141  -3.130  -3.030
  328   HG21  VAL  44          HG21      VAL  44  -3.110  -6.524  -1.665
  329   HG22  VAL  44          HG22      VAL  44  -2.942  -4.872  -1.070
  330   HG23  VAL  44          HG23      VAL  44  -2.240  -5.326  -2.623
  331    H    ILE  45           H        ILE  45  -6.289  -5.964  -4.731
  332    HA   ILE  45           HA       ILE  45  -8.443  -4.142  -4.400
  333    HB   ILE  45           HB       ILE  45  -8.109  -6.295  -6.513
  334   HG12  ILE  45          HG13      ILE  45  -6.140  -4.868  -6.474
  335   HG13  ILE  45          HG12      ILE  45  -7.131  -4.399  -7.850
  336   HG21  ILE  45          HG21      ILE  45  -9.679  -3.711  -6.481
  337   HG22  ILE  45          HG22      ILE  45 -10.363  -5.336  -6.423
  338   HG23  ILE  45          HG23      ILE  45  -9.513  -4.787  -7.868
  339   HD11  ILE  45          HD11      ILE  45  -6.631  -2.328  -6.902
  340   HD12  ILE  45          HD12      ILE  45  -6.687  -2.954  -5.255
  341   HD13  ILE  45          HD13      ILE  45  -8.184  -2.691  -6.151
  342    H    ALA  46           H        ALA  46  -8.390  -7.704  -4.393
  343    HA   ALA  46           HA       ALA  46 -11.234  -8.021  -4.144
  344    HB1  ALA  46           HB1      ALA  46 -10.111  -9.982  -4.770
  345    HB2  ALA  46           HB2      ALA  46 -10.460 -10.281  -3.067
  346    HB3  ALA  46           HB3      ALA  46  -8.848  -9.759  -3.559
  347    H    TRP  47           H        TRP  47  -8.624  -7.859  -1.717
  348    HA   TRP  47           HA       TRP  47 -10.416  -8.183   0.531
  349    HB2  TRP  47           HB3      TRP  47  -8.268  -8.674   1.196
  350    HB3  TRP  47           HB2      TRP  47  -7.552  -7.460   0.136
  351    HD1  TRP  47           HD1      TRP  47  -9.289  -7.824   3.532
  352    HE1  TRP  47           HE1      TRP  47  -8.762  -5.731   4.947
  353    HE3  TRP  47           HE3      TRP  47  -6.875  -4.990   0.047
  354    HZ2  TRP  47           HZ2      TRP  47  -7.475  -3.192   4.633
  355    HZ3  TRP  47           HZ3      TRP  47  -6.007  -2.747   0.623
  356    HH2  TRP  47           HH2      TRP  47  -6.303  -1.845   2.908
  357    H    LEU  48           H        LEU  48  -9.001  -5.386  -1.137
  358    HA   LEU  48           HA       LEU  48  -9.879  -3.365   0.634
  359    HB2  LEU  48           HB3      LEU  48  -8.361  -3.065  -1.360
  360    HB3  LEU  48           HB2      LEU  48  -9.782  -3.171  -2.387
  361    HG   LEU  48           HG       LEU  48 -10.710  -1.301  -0.796
  362   HD11  LEU  48          HD11      LEU  48  -7.878  -0.427  -0.683
  363   HD12  LEU  48          HD12      LEU  48  -8.350  -1.689   0.452
  364   HD13  LEU  48          HD13      LEU  48  -9.188  -0.138   0.460
  365   HD21  LEU  48          HD21      LEU  48  -8.903  -1.201  -3.153
  366   HD22  LEU  48          HD22      LEU  48  -9.154   0.324  -2.303
  367   HD23  LEU  48          HD23      LEU  48 -10.533  -0.557  -2.961
  368    H    GLU  49           H        GLU  49 -11.561  -4.931  -2.081
  369    HA   GLU  49           HA       GLU  49 -13.945  -3.348  -1.929
  370    HB2  GLU  49           HB3      GLU  49 -13.465  -4.730  -3.885
  371    HB3  GLU  49           HB2      GLU  49 -13.513  -6.187  -2.907
  372    HG2  GLU  49           HG3      GLU  49 -15.885  -5.750  -2.387
  373    HG3  GLU  49           HG2      GLU  49 -15.835  -4.313  -3.397
  374    H    ASP  50           H        ASP  50 -12.957  -6.355  -0.337
  375    HA   ASP  50           HA       ASP  50 -15.472  -6.863   0.939
  376    HB2  ASP  50           HB3      ASP  50 -13.624  -8.528   0.662
  377    HB3  ASP  50           HB2      ASP  50 -12.725  -7.657   1.902
  378    H    ARG  51           H        ARG  51 -12.617  -5.016   1.961
  379    HA   ARG  51           HA       ARG  51 -13.800  -4.518   4.599
  380    HB2  ARG  51           HB3      ARG  51 -11.345  -4.816   4.278
  381    HB3  ARG  51           HB2      ARG  51 -11.314  -3.296   3.381
  382    HG2  ARG  51           HG3      ARG  51 -12.232  -2.119   5.351
  383    HG3  ARG  51           HG2      ARG  51 -12.238  -3.635   6.250
  384    HD2  ARG  51           HD3      ARG  51  -9.765  -3.801   5.882
  385    HD3  ARG  51           HD2      ARG  51  -9.810  -2.203   5.135
  386    HE   ARG  51           HE       ARG  51 -11.039  -2.114   7.736
  387   HH11  ARG  51          HH22      ARG  51  -8.028  -2.362   6.076
  388   HH12  ARG  51          HH21      ARG  51  -7.113  -1.626   7.349
  389   HH21  ARG  51          HH11      ARG  51  -9.863  -1.152   9.408
  390   HH22  ARG  51          HH12      ARG  51  -8.152  -0.941   9.236
  391    H    PHE  52           H        PHE  52 -12.935  -2.411   1.797
  392    HA   PHE  52           HA       PHE  52 -14.422  -0.224   3.111
  393    HB2  PHE  52           HB3      PHE  52 -12.750  -0.326   0.590
  394    HB3  PHE  52           HB2      PHE  52 -13.544   1.124   1.195
  395    HD1  PHE  52           HD2      PHE  52 -12.867   2.130   3.356
  396    HD2  PHE  52           HD1      PHE  52 -10.794  -1.237   1.679
  397    HE1  PHE  52           HE2      PHE  52 -10.973   2.523   4.908
  398    HE2  PHE  52           HE1      PHE  52  -8.900  -0.844   3.231
  399    HZ   PHE  52           HZ       PHE  52  -8.990   1.036   4.845
  400    H    GLY  53           H        GLY  53 -15.197  -2.728   1.011
  401    HA2  GLY  53           HA3      GLY  53 -17.180  -3.096  -0.213
  402    HA3  GLY  53           HA2      GLY  53 -17.786  -1.575   0.444
  403    H    ILE  54           H        ILE  54 -14.727  -1.644  -1.240
  404    HA   ILE  54           HA       ILE  54 -15.911   0.119  -3.313
  405    HB   ILE  54           HB       ILE  54 -13.016  -0.635  -2.806
  406   HG12  ILE  54          HG13      ILE  54 -14.487   1.910  -2.064
  407   HG13  ILE  54          HG12      ILE  54 -14.194   0.591  -0.930
  408   HG21  ILE  54          HG21      ILE  54 -12.727   1.584  -4.105
  409   HG22  ILE  54          HG22      ILE  54 -14.398   1.345  -4.618
  410   HG23  ILE  54          HG23      ILE  54 -13.168   0.151  -5.033
  411   HD11  ILE  54          HD11      ILE  54 -12.441   2.290  -0.706
  412   HD12  ILE  54          HD12      ILE  54 -12.071   2.158  -2.425
  413   HD13  ILE  54          HD13      ILE  54 -11.757   0.797  -1.348
  414    H    ALA  55           H        ALA  55 -16.274  -0.587  -5.375
  415    HA   ALA  55           HA       ALA  55 -16.118  -3.353  -6.042
  416    HB1  ALA  55           HB1      ALA  55 -17.376  -2.659  -7.775
  417    HB2  ALA  55           HB2      ALA  55 -16.033  -1.710  -8.412
  418    HB3  ALA  55           HB3      ALA  55 -17.137  -0.998  -7.235
  419    H    ALA  56           H        ALA  56 -14.603  -4.518  -7.233
  420    HA   ALA  56           HA       ALA  56 -11.877  -3.735  -7.021
  421    HB1  ALA  56           HB1      ALA  56 -11.484  -5.668  -8.620
  422    HB2  ALA  56           HB2      ALA  56 -13.235  -5.849  -8.706
  423    HB3  ALA  56           HB3      ALA  56 -12.400  -6.074  -7.169
  424    H    ASP  57           H        ASP  57 -14.196  -3.453  -9.673
  425    HA   ASP  57           HA       ASP  57 -12.097  -2.283 -11.409
  426    HB2  ASP  57           HB3      ASP  57 -14.984  -3.008 -11.926
  427    HB3  ASP  57           HB2      ASP  57 -13.922  -2.280 -13.129
  428    H    ASP  58           H        ASP  58 -13.914  -1.121  -8.984
  429    HA   ASP  58           HA       ASP  58 -15.310   1.111 -10.007
  430    HB2  ASP  58           HB3      ASP  58 -15.291   0.299  -7.609
  431    HB3  ASP  58           HB2      ASP  58 -13.730   1.098  -7.436
  432    H    VAL  59           H        VAL  59 -11.872   0.748  -9.221
  433    HA   VAL  59           HA       VAL  59 -11.368   3.258 -10.759
  434    HB   VAL  59           HB       VAL  59  -9.625   3.883  -9.139
  435   HG11  VAL  59          HG11      VAL  59 -11.108   4.878  -7.704
  436   HG12  VAL  59          HG12      VAL  59 -11.923   3.359  -7.331
  437   HG13  VAL  59          HG13      VAL  59 -12.296   4.216  -8.827
  438   HG21  VAL  59          HG21      VAL  59  -8.761   2.277  -7.814
  439   HG22  VAL  59          HG22      VAL  59 -10.035   1.156  -8.293
  440   HG23  VAL  59          HG23      VAL  59 -10.283   2.240  -6.924
  441    H    GLU  60           H        GLU  60  -9.233   3.318 -11.758
  442    HA   GLU  60           HA       GLU  60  -8.115   0.577 -12.176
  443    HB2  GLU  60           HB3      GLU  60  -9.014   1.723 -14.199
  444    HB3  GLU  60           HB2      GLU  60  -7.850   3.020 -13.949
  445    HG2  GLU  60           HG3      GLU  60  -6.013   1.377 -14.105
  446    HG3  GLU  60           HG2      GLU  60  -7.192   0.110 -14.419
  447    H    LEU  61           H        LEU  61  -5.986   0.212 -11.674
  448    HA   LEU  61           HA       LEU  61  -4.445   2.532 -10.608
  449    HB2  LEU  61           HB3      LEU  61  -3.972  -0.412 -10.076
  450    HB3  LEU  61           HB2      LEU  61  -3.255   0.954  -9.226
  451    HG   LEU  61           HG       LEU  61  -6.156   0.123  -9.215
  452   HD11  LEU  61          HD11      LEU  61  -4.545  -1.077  -7.705
  453   HD12  LEU  61          HD12      LEU  61  -5.806  -0.196  -6.841
  454   HD13  LEU  61          HD13      LEU  61  -4.179   0.474  -6.949
  455   HD21  LEU  61          HD21      LEU  61  -6.299   2.468  -9.249
  456   HD22  LEU  61          HD22      LEU  61  -4.795   2.665  -8.350
  457   HD23  LEU  61          HD23      LEU  61  -6.250   2.108  -7.524
  458    H    SER  62           H        SER  62  -2.350   2.901 -11.376
  459    HA   SER  62           HA       SER  62  -1.513   1.228 -13.704
  460    HB2  SER  62           HB3      SER  62  -1.625   3.200 -14.813
  461    HB3  SER  62           HB2      SER  62  -1.731   4.124 -13.319
  462    HG   SER  62           HG       SER  62   0.244   4.654 -13.861
  463    HA   PRO  63           HA       PRO  63   2.264   0.192 -11.707
  464    HB2  PRO  63           HB2      PRO  63   4.114   0.796 -13.708
  465    HB3  PRO  63           HB3      PRO  63   3.192  -0.712 -13.589
  466    HG2  PRO  63           HG3      PRO  63   2.720   1.667 -15.293
  467    HG3  PRO  63           HG2      PRO  63   2.429  -0.048 -15.632
  468    HD2  PRO  63           HD3      PRO  63   0.413   1.669 -15.023
  469    HD3  PRO  63           HD2      PRO  63   0.367  -0.049 -14.569
  470    H    GLU  64           H        GLU  64   2.232   3.322 -13.349
  471    HA   GLU  64           HA       GLU  64   4.529   4.425 -12.041
  472    HB2  GLU  64           HB3      GLU  64   2.097   5.756 -13.233
  473    HB3  GLU  64           HB2      GLU  64   3.532   6.621 -12.696
  474    HG2  GLU  64           HG3      GLU  64   3.515   4.434 -14.782
  475    HG3  GLU  64           HG2      GLU  64   3.583   6.156 -15.129
  476    H    HIS  65           H        HIS  65   1.184   4.047 -11.087
  477    HA   HIS  65           HA       HIS  65   1.208   5.959  -8.935
  478    HB2  HIS  65           HB3      HIS  65  -0.859   4.970  -9.953
  479    HB3  HIS  65           HB2      HIS  65  -0.465   3.442  -9.165
  480    HD1  HIS  65           HD1      HIS  65  -0.771   7.098  -8.075
  481    HD2  HIS  65           HD2      HIS  65  -1.694   3.267  -6.705
  482    HE1  HIS  65           HE1      HIS  65  -1.935   7.395  -5.844
  483    HE2  HIS  65           HE2      HIS  65  -2.498   5.070  -5.000
  484    H    PHE  66           H        PHE  66   2.364   2.672  -9.225
  485    HA   PHE  66           HA       PHE  66   2.685   2.428  -6.293
  486    HB2  PHE  66           HB3      PHE  66   3.325   0.531  -8.570
  487    HB3  PHE  66           HB2      PHE  66   3.558   0.153  -6.864
  488    HD1  PHE  66           HD1      PHE  66   1.598   0.060  -5.319
  489    HD2  PHE  66           HD2      PHE  66   1.140   0.525  -9.564
  490    HE1  PHE  66           HE1      PHE  66  -0.790  -0.583  -5.132
  491    HE2  PHE  66           HE2      PHE  66  -1.247  -0.119  -9.377
  492    HZ   PHE  66           HZ       PHE  66  -2.212  -0.672  -7.161
  493    H    ARG  67           H        ARG  67   4.322   4.087  -8.519
  494    HA   ARG  67           HA       ARG  67   6.998   3.208  -8.424
  495    HB2  ARG  67           HB3      ARG  67   6.244   5.028  -9.890
  496    HB3  ARG  67           HB2      ARG  67   5.944   6.052  -8.492
  497    HG2  ARG  67           HG3      ARG  67   8.069   6.705  -9.403
  498    HG3  ARG  67           HG2      ARG  67   8.401   5.818  -7.924
  499    HD2  ARG  67           HD3      ARG  67   9.007   3.837  -9.147
  500    HD3  ARG  67           HD2      ARG  67   8.413   4.523 -10.660
  501    HE   ARG  67           HE       ARG  67  10.489   6.169  -9.495
  502   HH11  ARG  67          HH22      ARG  67   9.806   3.283 -11.255
  503   HH12  ARG  67          HH21      ARG  67  11.341   3.250 -12.055
  504   HH21  ARG  67          HH11      ARG  67  12.498   6.141 -10.531
  505   HH22  ARG  67          HH12      ARG  67  12.865   4.868 -11.646
  506    H    SER  68           H        SER  68   5.195   5.184  -6.066
  507    HA   SER  68           HA       SER  68   7.375   4.605  -4.121
  508    HB2  SER  68           HB3      SER  68   7.446   6.906  -3.362
  509    HB3  SER  68           HB2      SER  68   7.728   6.888  -5.101
  510    HG   SER  68           HG       SER  68   5.233   7.088  -5.042
  511    H    ILE  69           H        ILE  69   6.676   4.807  -1.879
  512    HA   ILE  69           HA       ILE  69   4.076   3.759  -1.381
  513    HB   ILE  69           HB       ILE  69   5.970   5.177   0.514
  514   HG12  ILE  69          HG13      ILE  69   5.644   2.227  -0.047
  515   HG13  ILE  69          HG12      ILE  69   6.931   3.218  -0.716
  516   HG21  ILE  69          HG21      ILE  69   3.339   4.162   0.855
  517   HG22  ILE  69          HG22      ILE  69   4.430   4.791   2.089
  518   HG23  ILE  69          HG23      ILE  69   4.449   3.075   1.685
  519   HD11  ILE  69          HD11      ILE  69   7.757   3.745   1.508
  520   HD12  ILE  69          HD12      ILE  69   7.621   1.994   1.354
  521   HD13  ILE  69          HD13      ILE  69   6.398   2.898   2.246
  522    H    ARG  70           H        ARG  70   5.366   7.058  -1.286
  523    HA   ARG  70           HA       ARG  70   3.165   8.316  -0.001
  524    HB2  ARG  70           HB3      ARG  70   5.061   9.389  -2.110
  525    HB3  ARG  70           HB2      ARG  70   3.965  10.385  -1.153
  526    HG2  ARG  70           HG3      ARG  70   5.047   9.515   0.920
  527    HG3  ARG  70           HG2      ARG  70   6.200   8.638  -0.085
  528    HD2  ARG  70           HD3      ARG  70   5.797  11.643  -0.031
  529    HD3  ARG  70           HD2      ARG  70   7.181  10.766   0.622
  530    HE   ARG  70           HE       ARG  70   7.035  10.014  -2.070
  531   HH11  ARG  70          HH22      ARG  70   7.317  12.903  -0.209
  532   HH12  ARG  70          HH21      ARG  70   8.229  13.749  -1.415
  533   HH21  ARG  70          HH11      ARG  70   8.222  11.102  -3.655
  534   HH22  ARG  70          HH12      ARG  70   8.741  12.729  -3.366
  535    H    SER  71           H        SER  71   3.682   7.500  -3.425
  536    HA   SER  71           HA       SER  71   1.458   8.927  -4.477
  537    HB2  SER  71           HB3      SER  71   3.250   7.809  -5.836
  538    HB3  SER  71           HB2      SER  71   2.516   6.257  -5.445
  539    HG   SER  71           HG       SER  71   1.797   8.086  -7.294
  540    H    ILE  72           H        ILE  72   1.660   5.579  -3.246
  541    HA   ILE  72           HA       ILE  72  -1.073   4.922  -3.729
  542    HB   ILE  72           HB       ILE  72   0.806   3.866  -1.595
  543   HG12  ILE  72          HG13      ILE  72   0.229   2.833  -4.392
  544   HG13  ILE  72          HG12      ILE  72   1.686   3.716  -3.933
  545   HG21  ILE  72          HG21      ILE  72  -0.986   1.910  -2.584
  546   HG22  ILE  72          HG22      ILE  72  -1.948   3.342  -2.221
  547   HG23  ILE  72          HG23      ILE  72  -0.946   2.612  -0.967
  548   HD11  ILE  72          HD11      ILE  72   1.786   1.847  -2.035
  549   HD12  ILE  72          HD12      ILE  72   2.447   1.553  -3.643
  550   HD13  ILE  72          HD13      ILE  72   0.850   0.936  -3.221
  551    H    ASP  73           H        ASP  73   0.580   6.372  -0.941
  552    HA   ASP  73           HA       ASP  73  -1.583   6.323   0.888
  553    HB2  ASP  73           HB3      ASP  73   0.795   7.005   1.395
  554    HB3  ASP  73           HB2      ASP  73   0.451   8.552   0.620
  555    H    ALA  74           H        ALA  74  -0.821   8.631  -1.704
  556    HA   ALA  74           HA       ALA  74  -2.834  10.545  -1.012
  557    HB1  ALA  74           HB1      ALA  74  -1.607   9.879  -3.702
  558    HB2  ALA  74           HB2      ALA  74  -1.049  11.115  -2.574
  559    HB3  ALA  74           HB3      ALA  74  -2.606  11.296  -3.382
  560    H    PHE  75           H        PHE  75  -2.902   7.776  -3.268
  561    HA   PHE  75           HA       PHE  75  -5.609   8.188  -4.107
  562    HB2  PHE  75           HB3      PHE  75  -4.015   6.673  -5.271
  563    HB3  PHE  75           HB2      PHE  75  -4.122   5.564  -3.907
  564    HD1  PHE  75           HD2      PHE  75  -6.008   7.121  -6.686
  565    HD2  PHE  75           HD1      PHE  75  -6.065   4.182  -3.553
  566    HE1  PHE  75           HE2      PHE  75  -8.077   6.142  -7.642
  567    HE2  PHE  75           HE1      PHE  75  -8.134   3.204  -4.509
  568    HZ   PHE  75           HZ       PHE  75  -9.139   4.186  -6.553
  569    H    VAL  76           H        VAL  76  -4.215   6.200  -1.504
  570    HA   VAL  76           HA       VAL  76  -6.675   5.089  -0.597
  571    HB   VAL  76           HB       VAL  76  -4.073   5.676   0.836
  572   HG11  VAL  76          HG11      VAL  76  -4.972   3.988   2.498
  573   HG12  VAL  76          HG12      VAL  76  -6.547   4.191   1.733
  574   HG13  VAL  76          HG13      VAL  76  -5.769   5.561   2.524
  575   HG21  VAL  76          HG21      VAL  76  -3.409   3.582   0.172
  576   HG22  VAL  76          HG22      VAL  76  -4.547   3.884  -1.140
  577   HG23  VAL  76          HG23      VAL  76  -5.044   2.926   0.255
  578    H    VAL  77           H        VAL  77  -4.926   8.049   0.381
  579    HA   VAL  77           HA       VAL  77  -6.722   8.810   2.457
  580    HB   VAL  77           HB       VAL  77  -4.906  10.424   0.650
  581   HG11  VAL  77          HG11      VAL  77  -5.201  12.178   2.471
  582   HG12  VAL  77          HG12      VAL  77  -6.595  11.245   3.016
  583   HG13  VAL  77          HG13      VAL  77  -6.582  11.948   1.400
  584   HG21  VAL  77          HG21      VAL  77  -4.248   8.660   2.607
  585   HG22  VAL  77          HG22      VAL  77  -4.449  10.124   3.569
  586   HG23  VAL  77          HG23      VAL  77  -3.290  10.094   2.240
  587    H    GLY  78           H        GLY  78  -6.696   9.522  -1.023
  588    HA2  GLY  78           HA3      GLY  78  -8.835  11.379  -1.069
  589    HA3  GLY  78           HA2      GLY  78  -8.388  10.339  -2.420
  590    H    ALA  79           H        ALA  79  -8.882   7.860  -0.833
  591    HA   ALA  79           HA       ALA  79 -11.839   7.892  -1.116
  592    HB1  ALA  79           HB1      ALA  79 -10.924   5.257  -0.658
  593    HB2  ALA  79           HB2      ALA  79  -9.769   5.999  -1.765
  594    HB3  ALA  79           HB3      ALA  79 -11.481   5.946  -2.183
  595    H    THR  80           H        THR  80  -9.343   6.634   1.102
  596    HA   THR  80           HA       THR  80 -11.251   7.089   3.335
  597    HB   THR  80           HB       THR  80 -11.324   4.664   2.560
  598    HG1  THR  80           HG1      THR  80 -11.652   4.128   4.580
  599   HG21  THR  80          HG21      THR  80  -8.806   4.096   3.979
  600   HG22  THR  80          HG22      THR  80  -8.599   4.920   2.433
  601   HG23  THR  80          HG23      THR  80  -9.456   3.380   2.504
  602    H    THR  81           H        THR  81 -10.166   7.376   5.390
  603    HA   THR  81           HA       THR  81  -7.208   7.629   5.222
  604    HB   THR  81           HB       THR  81  -7.916   9.863   4.846
  605    HG1  THR  81           HG1      THR  81  -6.549   9.290   6.850
  606   HG21  THR  81          HG21      THR  81 -10.134   9.040   6.603
  607   HG22  THR  81          HG22      THR  81 -10.121  10.193   5.268
  608   HG23  THR  81          HG23      THR  81  -9.570  10.690   6.868
  609    HA   PRO  82           HA       PRO  82  -8.425   5.572   9.144
  610    HB2  PRO  82           HB2      PRO  82  -6.573   3.588   9.069
  611    HB3  PRO  82           HB3      PRO  82  -8.100   3.501   8.171
  612    HG2  PRO  82           HG3      PRO  82  -5.362   4.071   7.196
  613    HG3  PRO  82           HG2      PRO  82  -6.706   3.251   6.387
  614    HD2  PRO  82           HD3      PRO  82  -5.923   5.918   5.969
  615    HD3  PRO  82           HD2      PRO  82  -7.468   5.199   5.466
  616    HA   PRO  83           HA       PRO  83  -5.369   7.477  11.730
  617    HB2  PRO  83           HB2      PRO  83  -5.313   5.693  13.851
  618    HB3  PRO  83           HB3      PRO  83  -6.548   6.945  13.620
  619    HG2  PRO  83           HG3      PRO  83  -6.666   4.038  13.031
  620    HG3  PRO  83           HG2      PRO  83  -7.930   5.125  13.628
  621    HD2  PRO  83           HD3      PRO  83  -7.826   4.285  11.036
  622    HD3  PRO  83           HD2      PRO  83  -8.486   5.868  11.505
  623    H    VAL  84           H        VAL  84  -3.122   7.333  12.205
  624    HA   VAL  84           HA       VAL  84  -1.823   4.712  11.577
  625    HB   VAL  84           HB       VAL  84  -1.673   6.369   9.676
  626   HG11  VAL  84          HG11      VAL  84   0.152   7.867  11.575
  627   HG12  VAL  84          HG12      VAL  84  -1.506   8.362  11.230
  628   HG13  VAL  84          HG13      VAL  84  -0.307   8.336   9.938
  629   HG21  VAL  84          HG21      VAL  84   0.859   5.514  11.105
  630   HG22  VAL  84          HG22      VAL  84   0.822   6.111   9.446
  631   HG23  VAL  84          HG23      VAL  84  -0.014   4.616   9.865
  632    H    GLU  85           H        GLU  85  -0.229   4.129  12.996
  633    HA   GLU  85           HA       GLU  85   0.097   5.629  15.445
  634    HB2  GLU  85           HB3      GLU  85   1.628   3.260  14.332
  635    HB3  GLU  85           HB2      GLU  85   1.812   3.889  15.970
  636    HG2  GLU  85           HG3      GLU  85  -0.608   3.497  16.371
  637    HG3  GLU  85           HG2      GLU  85  -0.745   2.802  14.755
  638    H    ALA  86           H        ALA  86   1.959   5.336  12.467
  639    HA   ALA  86           HA       ALA  86   3.805   7.440  13.520
  640    HB1  ALA  86           HB1      ALA  86   5.644   6.369  12.275
  641    HB2  ALA  86           HB2      ALA  86   4.552   5.082  11.765
  642    HB3  ALA  86           HB3      ALA  86   4.966   5.263  13.470
  643    H    LYS  87           H        LYS  87   4.968   8.554  11.638
  644    HA   LYS  87           HA       LYS  87   4.807   9.879   9.719
  645    HB2  LYS  87           HB3      LYS  87   3.194   7.516   8.701
  646    HB3  LYS  87           HB2      LYS  87   3.831   8.821   7.706
  647    HG2  LYS  87           HG3      LYS  87   6.134   8.233   8.496
  648    HG3  LYS  87           HG2      LYS  87   5.446   6.841   9.335
  649    HD2  LYS  87           HD3      LYS  87   4.497   6.064   7.142
  650    HD3  LYS  87           HD2      LYS  87   5.365   7.380   6.352
  651    HE2  LYS  87           HE3      LYS  87   6.416   4.863   7.540
  652    HE3  LYS  87           HE2      LYS  87   6.977   5.762   6.130
  653    HZ1  LYS  87           HZ1      LYS  87   7.927   7.419   7.588
  654    HZ2  LYS  87           HZ2      LYS  87   8.544   5.888   7.978
  655    HZ3  LYS  87           HZ3      LYS  87   7.350   6.595   8.958
  656    H    LEU  88           H        LEU  88   3.002  10.493  11.763
  657    HA   LEU  88           HA       LEU  88   0.272  10.628  11.000
  658    HB2  LEU  88           HB3      LEU  88   1.152  11.178  13.277
  659    HB3  LEU  88           HB2      LEU  88   1.819  12.673  12.622
  660    HG   LEU  88           HG       LEU  88  -0.505  13.287  11.858
  661   HD11  LEU  88          HD11      LEU  88  -1.762  11.332  11.769
  662   HD12  LEU  88          HD12      LEU  88  -2.270  11.976  13.329
  663   HD13  LEU  88          HD13      LEU  88  -1.065  10.691  13.257
  664   HD21  LEU  88          HD21      LEU  88   0.607  14.005  14.058
  665   HD22  LEU  88          HD22      LEU  88  -0.395  12.781  14.838
  666   HD23  LEU  88          HD23      LEU  88  -1.151  14.131  13.991
  667    H    GLN  89           H        GLN  89   3.003  12.755  10.241
  668    HA   GLN  89           HA       GLN  89   1.230  14.555   8.702
  669    HB2  GLN  89           HB3      GLN  89   4.219  14.617   9.216
  670    HB3  GLN  89           HB2      GLN  89   3.332  15.847   8.316
  671    HG2  GLN  89           HG3      GLN  89   1.952  16.328  10.285
  672    HG3  GLN  89           HG2      GLN  89   2.778  15.061  11.192
  673   HE21  GLN  89          HE22      GLN  89   2.850  17.740  12.131
  674   HE22  GLN  89          HE21      GLN  89   4.430  18.338  11.967
  675    H1   PN7 101           3HO      SAT  38   0.217  -3.682 -15.582
  676    H2   PN7 101           1H1      SAT  38   3.182  -4.593 -11.552
  677    H3   PN7 101           2H1      SAT  38   1.478  -5.019 -11.380
  678    H5   PN7 101          3HE1      SAT  38   2.684  -2.643 -14.704
  679    H6   PN7 101          1HE1      SAT  38   3.142  -4.342 -14.580
  680    H7   PN7 101          2HE1      SAT  38   3.902  -3.145 -13.531
  681    H8   PN7 101          2HE2      SAT  38   1.134  -2.598 -11.262
  682    H9   PN7 101          3HE2      SAT  38   1.270  -1.607 -12.713
  683    H10  PN7 101          1HE2      SAT  38   2.717  -2.050 -11.808
  684    H11  PN7 101           3H       SAT  38   0.548  -4.993 -13.981
  685    H12  PN7 101           5H       SAT  38  -0.957  -1.720 -12.687
  686    H13  PN7 101           2H6      SAT  38  -2.600  -3.149 -14.530
  687    H14  PN7 101           1H6      SAT  38  -3.109  -1.723 -13.627
  688    H15  PN7 101           1H7      SAT  38  -4.568  -3.231 -12.689
  689    H16  PN7 101           2H7      SAT  38  -3.186  -3.538 -11.636
  690    H17  PN7 101           9H       SAT  38  -1.719  -5.805 -12.718
  691    H18  PN7 101          2H10      SAT  38  -4.187  -6.611 -11.268
  692    H19  PN7 101          1H10      SAT  38  -2.545  -7.078 -10.825
  693    H20  PN7 101          1H11      SAT  38  -2.401  -8.594 -12.706
  694    H21  PN7 101          2H11      SAT  38  -3.940  -8.018 -13.346
  695    H22  PN7 101          2HS1      SAT  38  -3.781 -10.270 -11.507
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1   2.746  15.235  -1.294
    2    H2   MET   1           H2       MET   1   1.410  15.553  -0.294
    3    H3   MET   1           H3       MET   1   1.388  14.220  -1.348
    4    HA   MET   1           HA       MET   1   2.384  12.912   0.119
    5    HB2  MET   1           HB3      MET   1   4.289  15.238   0.520
    6    HB3  MET   1           HB2      MET   1   4.511  13.634   1.222
    7    HG2  MET   1           HG3      MET   1   4.464  12.662  -1.073
    8    HG3  MET   1           HG2      MET   1   4.359  14.294  -1.732
    9    HE1  MET   1           HE1      MET   1   6.915  12.261  -2.548
   10    HE2  MET   1           HE2      MET   1   7.870  13.723  -2.782
   11    HE3  MET   1           HE3      MET   1   6.142  13.719  -3.164
   12    H    GLN   2           H        GLN   2   0.119  14.123   0.966
   13    HA   GLN   2           HA       GLN   2   0.261  15.686   3.334
   14    HB2  GLN   2           HB3      GLN   2  -1.798  13.609   2.522
   15    HB3  GLN   2           HB2      GLN   2  -2.016  14.796   3.808
   16    HG2  GLN   2           HG3      GLN   2  -1.729  16.626   2.186
   17    HG3  GLN   2           HG2      GLN   2  -1.485  15.448   0.894
   18   HE21  GLN   2          HE22      GLN   2  -3.647  17.324   0.790
   19   HE22  GLN   2          HE21      GLN   2  -5.105  16.469   0.947
   20    H    HIS   3           H        HIS   3   0.488  12.196   2.828
   21    HA   HIS   3           HA       HIS   3   1.733  11.900   5.472
   22    HB2  HIS   3           HB3      HIS   3  -0.812  10.389   4.799
   23    HB3  HIS   3           HB2      HIS   3   0.152  10.204   6.264
   24    HD1  HIS   3           HD1      HIS   3   0.408  12.524   7.719
   25    HD2  HIS   3           HD2      HIS   3  -2.761  12.349   5.011
   26    HE1  HIS   3           HE1      HIS   3  -1.219  14.345   8.398
   27    HE2  HIS   3           HE2      HIS   3  -3.150  14.247   6.757
   28    H    ALA   4           H        ALA   4   2.821  11.565   2.928
   29    HA   ALA   4           HA       ALA   4   2.657   8.933   1.860
   30    HB1  ALA   4           HB1      ALA   4   3.768  10.422   0.453
   31    HB2  ALA   4           HB2      ALA   4   5.123   9.524   1.138
   32    HB3  ALA   4           HB3      ALA   4   4.712  11.119   1.770
   33    H    SER   5           H        SER   5   4.567  10.250   4.535
   34    HA   SER   5           HA       SER   5   6.359   8.071   4.863
   35    HB2  SER   5           HB3      SER   5   5.126   9.761   7.057
   36    HB3  SER   5           HB2      SER   5   6.624   8.840   7.164
   37    HG   SER   5           HG       SER   5   7.619  10.303   5.975
   38    H    VAL   6           H        VAL   6   3.057   8.553   6.069
   39    HA   VAL   6           HA       VAL   6   2.975   6.126   7.618
   40    HB   VAL   6           HB       VAL   6   0.779   7.793   6.378
   41   HG11  VAL   6          HG11      VAL   6  -0.120   5.580   6.635
   42   HG12  VAL   6          HG12      VAL   6  -0.682   6.512   8.023
   43   HG13  VAL   6          HG13      VAL   6   0.660   5.381   8.204
   44   HG21  VAL   6          HG21      VAL   6   0.804   8.997   8.312
   45   HG22  VAL   6          HG22      VAL   6   2.435   8.351   8.494
   46   HG23  VAL   6          HG23      VAL   6   1.080   7.565   9.304
   47    H    ILE   7           H        ILE   7   2.219   6.911   4.256
   48    HA   ILE   7           HA       ILE   7   0.964   4.467   3.542
   49    HB   ILE   7           HB       ILE   7   2.751   6.248   1.862
   50   HG12  ILE   7          HG13      ILE   7  -0.269   6.204   2.166
   51   HG13  ILE   7          HG12      ILE   7   0.793   7.375   2.948
   52   HG21  ILE   7          HG21      ILE   7   1.474   5.267  -0.035
   53   HG22  ILE   7          HG22      ILE   7   0.668   4.178   1.094
   54   HG23  ILE   7          HG23      ILE   7   2.407   4.047   0.832
   55   HD11  ILE   7          HD11      ILE   7   1.616   7.470   0.310
   56   HD12  ILE   7          HD12      ILE   7   0.527   8.623   1.080
   57   HD13  ILE   7          HD13      ILE   7  -0.129   7.263   0.168
   58    H    ALA   8           H        ALA   8   4.416   5.384   3.308
   59    HA   ALA   8           HA       ALA   8   5.307   2.816   2.398
   60    HB1  ALA   8           HB1      ALA   8   6.551   5.155   2.578
   61    HB2  ALA   8           HB2      ALA   8   7.460   3.646   2.658
   62    HB3  ALA   8           HB3      ALA   8   7.056   4.512   4.141
   63    H    GLN   9           H        GLN   9   5.068   4.245   5.632
   64    HA   GLN   9           HA       GLN   9   6.095   1.982   7.062
   65    HB2  GLN   9           HB3      GLN   9   5.832   4.263   8.039
   66    HB3  GLN   9           HB2      GLN   9   4.082   4.058   7.985
   67    HG2  GLN   9           HG3      GLN   9   4.975   1.751   9.258
   68    HG3  GLN   9           HG2      GLN   9   6.004   3.020   9.920
   69   HE21  GLN   9          HE22      GLN   9   2.515   2.703   9.018
   70   HE22  GLN   9          HE21      GLN   9   1.936   3.439  10.436
   71    H    PHE  10           H        PHE  10   2.841   2.952   6.096
   72    HA   PHE  10           HA       PHE  10   1.381   0.889   7.395
   73    HB2  PHE  10           HB3      PHE  10   0.418   2.937   6.298
   74    HB3  PHE  10           HB2      PHE  10   0.759   2.204   4.733
   75    HD1  PHE  10           HD2      PHE  10  -0.502   0.255   3.951
   76    HD2  PHE  10           HD1      PHE  10  -1.332   2.079   7.750
   77    HE1  PHE  10           HE2      PHE  10  -2.657  -0.967   4.068
   78    HE2  PHE  10           HE1      PHE  10  -3.487   0.860   7.865
   79    HZ   PHE  10           HZ       PHE  10  -4.149  -0.658   6.025
   80    H    VAL  11           H        VAL  11   2.668   1.060   4.081
   81    HA   VAL  11           HA       VAL  11   1.911  -1.666   3.448
   82    HB   VAL  11           HB       VAL  11   3.954   0.130   2.111
   83   HG11  VAL  11          HG11      VAL  11   2.772  -2.534   1.509
   84   HG12  VAL  11          HG12      VAL  11   4.361  -1.889   1.100
   85   HG13  VAL  11          HG13      VAL  11   2.950  -1.420   0.153
   86   HG21  VAL  11          HG21      VAL  11   2.151   1.387   1.588
   87   HG22  VAL  11          HG22      VAL  11   1.036   0.183   2.234
   88   HG23  VAL  11          HG23      VAL  11   1.629   0.038   0.579
   89    H    VAL  12           H        VAL  12   4.967  -0.086   4.360
   90    HA   VAL  12           HA       VAL  12   6.596  -2.426   4.193
   91    HB   VAL  12           HB       VAL  12   6.925   0.025   5.927
   92   HG11  VAL  12          HG11      VAL  12   8.321  -1.925   6.617
   93   HG12  VAL  12          HG12      VAL  12   9.289  -0.589   6.004
   94   HG13  VAL  12          HG13      VAL  12   8.981  -1.996   4.986
   95   HG21  VAL  12          HG21      VAL  12   7.811   1.099   4.111
   96   HG22  VAL  12          HG22      VAL  12   6.804  -0.037   3.214
   97   HG23  VAL  12          HG23      VAL  12   8.516  -0.380   3.459
   98    H    GLU  13           H        GLU  13   4.606  -1.117   6.809
   99    HA   GLU  13           HA       GLU  13   5.553  -2.713   8.934
  100    HB2  GLU  13           HB3      GLU  13   3.883  -0.893   9.193
  101    HB3  GLU  13           HB2      GLU  13   2.684  -1.926   8.423
  102    HG2  GLU  13           HG3      GLU  13   3.019  -3.621  10.197
  103    HG3  GLU  13           HG2      GLU  13   4.174  -2.544  10.978
  104    H    GLU  14           H        GLU  14   3.500  -3.533   6.222
  105    HA   GLU  14           HA       GLU  14   2.485  -6.009   7.247
  106    HB2  GLU  14           HB3      GLU  14   1.602  -4.823   5.225
  107    HB3  GLU  14           HB2      GLU  14   3.063  -5.299   4.358
  108    HG2  GLU  14           HG3      GLU  14   2.534  -7.683   4.841
  109    HG3  GLU  14           HG2      GLU  14   1.028  -7.168   5.601
  110    H    PHE  15           H        PHE  15   5.533  -5.128   5.719
  111    HA   PHE  15           HA       PHE  15   6.549  -7.844   6.371
  112    HB2  PHE  15           HB3      PHE  15   7.531  -8.152   4.187
  113    HB3  PHE  15           HB2      PHE  15   5.823  -7.782   3.949
  114    HD1  PHE  15           HD1      PHE  15   5.153  -5.380   3.429
  115    HD2  PHE  15           HD2      PHE  15   9.220  -6.755   3.273
  116    HE1  PHE  15           HE1      PHE  15   5.765  -3.416   2.047
  117    HE2  PHE  15           HE2      PHE  15   9.831  -4.788   1.893
  118    HZ   PHE  15           HZ       PHE  15   8.104  -3.118   1.279
  119    H    LEU  16           H        LEU  16   7.063  -5.450   7.785
  120    HA   LEU  16           HA       LEU  16   9.548  -4.310   6.808
  121    HB2  LEU  16           HB3      LEU  16   9.324  -2.740   8.445
  122    HB3  LEU  16           HB2      LEU  16   7.665  -3.294   8.399
  123    HG   LEU  16           HG       LEU  16   9.790  -4.243  10.353
  124   HD11  LEU  16          HD11      LEU  16   9.230  -2.398  11.494
  125   HD12  LEU  16          HD12      LEU  16   7.612  -3.076  11.675
  126   HD13  LEU  16          HD13      LEU  16   7.970  -1.995  10.328
  127   HD21  LEU  16          HD21      LEU  16   8.345  -5.858  11.047
  128   HD22  LEU  16          HD22      LEU  16   7.525  -5.618   9.508
  129   HD23  LEU  16          HD23      LEU  16   6.962  -4.771  10.943
  130    HA   PRO  17           HA       PRO  17  12.049  -7.485   8.752
  131    HB2  PRO  17           HB2      PRO  17  14.499  -6.450   8.187
  132    HB3  PRO  17           HB3      PRO  17  13.480  -7.181   6.935
  133    HG2  PRO  17           HG3      PRO  17  13.912  -4.304   7.575
  134    HG3  PRO  17           HG2      PRO  17  13.808  -5.106   5.999
  135    HD2  PRO  17           HD3      PRO  17  11.724  -3.732   7.139
  136    HD3  PRO  17           HD2      PRO  17  11.513  -5.068   5.986
  137    H    ASP  18           H        ASP  18  14.624  -6.602   9.918
  138    HA   ASP  18           HA       ASP  18  13.607  -5.659  12.480
  139    HB2  ASP  18           HB3      ASP  18  15.926  -5.898  13.223
  140    HB3  ASP  18           HB2      ASP  18  15.456  -7.322  12.300
  141    H    VAL  19           H        VAL  19  13.848  -4.018   9.792
  142    HA   VAL  19           HA       VAL  19  15.203  -1.636  10.998
  143    HB   VAL  19           HB       VAL  19  14.605  -2.182   8.076
  144   HG11  VAL  19          HG11      VAL  19  16.497  -0.358   7.967
  145   HG12  VAL  19          HG12      VAL  19  15.972   0.013   9.609
  146   HG13  VAL  19          HG13      VAL  19  14.831   0.134   8.269
  147   HG21  VAL  19          HG21      VAL  19  16.260  -3.766   8.575
  148   HG22  VAL  19          HG22      VAL  19  16.996  -2.751   9.815
  149   HG23  VAL  19          HG23      VAL  19  17.227  -2.366   8.109
  150    H    ALA  20           H        ALA  20  13.979   0.207  11.288
  151    HA   ALA  20           HA       ALA  20  11.110   0.016  11.055
  152    HB1  ALA  20           HB1      ALA  20  11.117   1.846  12.390
  153    HB2  ALA  20           HB2      ALA  20  12.190   2.729  11.303
  154    HB3  ALA  20           HB3      ALA  20  12.862   1.605  12.485
  155    HA   PRO  21           HA       PRO  21  10.607   1.158   6.744
  156    HB2  PRO  21           HB2      PRO  21   8.405   2.903   7.753
  157    HB3  PRO  21           HB3      PRO  21   8.383   1.696   6.455
  158    HG2  PRO  21           HG3      PRO  21   7.300   1.223   8.854
  159    HG3  PRO  21           HG2      PRO  21   8.074  -0.048   7.895
  160    HD2  PRO  21           HD3      PRO  21   9.036   1.268  10.373
  161    HD3  PRO  21           HD2      PRO  21   9.422  -0.335   9.707
  162    H    ALA  22           H        ALA  22  10.639   3.632   9.266
  163    HA   ALA  22           HA       ALA  22  11.043   5.894   7.543
  164    HB1  ALA  22           HB1      ALA  22  10.596   6.739   9.608
  165    HB2  ALA  22           HB2      ALA  22  12.331   6.574   9.873
  166    HB3  ALA  22           HB3      ALA  22  11.231   5.313  10.428
  167    H    ASP  23           H        ASP  23  13.130   3.373   8.692
  168    HA   ASP  23           HA       ASP  23  15.557   4.850   7.828
  169    HB2  ASP  23           HB3      ASP  23  15.197   2.181   9.225
  170    HB3  ASP  23           HB2      ASP  23  16.760   2.858   8.769
  171    H    VAL  24           H        VAL  24  13.221   3.091   6.391
  172    HA   VAL  24           HA       VAL  24  15.094   1.662   4.558
  173    HB   VAL  24           HB       VAL  24  12.086   1.366   4.843
  174   HG11  VAL  24          HG11      VAL  24  12.521   0.564   2.714
  175   HG12  VAL  24          HG12      VAL  24  12.862  -0.888   3.656
  176   HG13  VAL  24          HG13      VAL  24  14.188   0.136   3.103
  177   HG21  VAL  24          HG21      VAL  24  14.418  -0.183   5.994
  178   HG22  VAL  24          HG22      VAL  24  12.808  -0.886   5.840
  179   HG23  VAL  24          HG23      VAL  24  13.057   0.532   6.859
  180    H    ASP  25           H        ASP  25  15.201   2.312   2.420
  181    HA   ASP  25           HA       ASP  25  14.228   4.918   1.729
  182    HB2  ASP  25           HB3      ASP  25  15.280   2.666  -0.008
  183    HB3  ASP  25           HB2      ASP  25  14.971   4.303  -0.588
  184    H    VAL  26           H        VAL  26  11.993   5.103   1.836
  185    HA   VAL  26           HA       VAL  26  10.120   3.146   0.932
  186    HB   VAL  26           HB       VAL  26   8.471   4.912   1.044
  187   HG11  VAL  26          HG11      VAL  26  10.577   5.608   3.102
  188   HG12  VAL  26          HG12      VAL  26   9.638   4.117   3.175
  189   HG13  VAL  26          HG13      VAL  26   8.825   5.678   3.282
  190   HG21  VAL  26          HG21      VAL  26   9.154   6.813  -0.027
  191   HG22  VAL  26          HG22      VAL  26  10.842   6.579   0.427
  192   HG23  VAL  26          HG23      VAL  26   9.708   7.282   1.581
  193    H    ASP  27           H        ASP  27  12.406   4.558  -0.898
  194    HA   ASP  27           HA       ASP  27  10.713   5.068  -3.272
  195    HB2  ASP  27           HB3      ASP  27  13.703   5.303  -2.813
  196    HB3  ASP  27           HB2      ASP  27  12.903   5.672  -4.341
  197    H    LEU  28           H        LEU  28  11.582   2.373  -1.830
  198    HA   LEU  28           HA       LEU  28  12.851   0.947  -4.066
  199    HB2  LEU  28           HB3      LEU  28  13.322   0.397  -1.658
  200    HB3  LEU  28           HB2      LEU  28  11.663  -0.172  -1.513
  201    HG   LEU  28           HG       LEU  28  12.195  -1.693  -3.528
  202   HD11  LEU  28          HD11      LEU  28  14.986  -1.912  -2.810
  203   HD12  LEU  28          HD12      LEU  28  14.637  -0.279  -3.373
  204   HD13  LEU  28          HD13      LEU  28  14.270  -1.663  -4.401
  205   HD21  LEU  28          HD21      LEU  28  13.501  -2.076  -0.820
  206   HD22  LEU  28          HD22      LEU  28  13.332  -3.361  -2.015
  207   HD23  LEU  28          HD23      LEU  28  11.896  -2.616  -1.313
  208    H    ASP  29           H        ASP  29  11.769  -0.221  -5.590
  209    HA   ASP  29           HA       ASP  29   8.907   0.041  -5.806
  210    HB2  ASP  29           HB3      ASP  29  10.871  -1.748  -7.274
  211    HB3  ASP  29           HB2      ASP  29   9.172  -1.573  -7.713
  212    H    LEU  30           H        LEU  30   7.428  -1.161  -4.725
  213    HA   LEU  30           HA       LEU  30   8.250  -3.405  -3.097
  214    HB2  LEU  30           HB3      LEU  30   5.436  -2.558  -3.860
  215    HB3  LEU  30           HB2      LEU  30   5.886  -3.594  -2.506
  216    HG   LEU  30           HG       LEU  30   6.619  -0.674  -2.867
  217   HD11  LEU  30          HD11      LEU  30   4.428  -0.709  -2.046
  218   HD12  LEU  30          HD12      LEU  30   5.374  -0.691  -0.557
  219   HD13  LEU  30          HD13      LEU  30   4.685  -2.203  -1.145
  220   HD21  LEU  30          HD21      LEU  30   7.581  -2.811  -0.986
  221   HD22  LEU  30          HD22      LEU  30   7.447  -1.151  -0.405
  222   HD23  LEU  30          HD23      LEU  30   8.497  -1.525  -1.772
  223    H    VAL  31           H        VAL  31   8.011  -3.254  -6.336
  224    HA   VAL  31           HA       VAL  31   6.348  -5.372  -7.151
  225    HB   VAL  31           HB       VAL  31   9.080  -4.590  -8.216
  226   HG11  VAL  31          HG11      VAL  31   7.160  -6.694  -8.980
  227   HG12  VAL  31          HG12      VAL  31   8.874  -6.540  -9.366
  228   HG13  VAL  31          HG13      VAL  31   7.674  -5.660 -10.314
  229   HG21  VAL  31          HG21      VAL  31   6.681  -3.184  -8.202
  230   HG22  VAL  31          HG22      VAL  31   6.705  -3.947  -9.793
  231   HG23  VAL  31          HG23      VAL  31   8.037  -2.904  -9.295
  232    H    ASP  32           H        ASP  32   9.666  -5.459  -5.899
  233    HA   ASP  32           HA       ASP  32  10.142  -8.243  -6.172
  234    HB2  ASP  32           HB3      ASP  32  11.809  -6.500  -5.368
  235    HB3  ASP  32           HB2      ASP  32  10.995  -6.546  -3.804
  236    H    ASN  33           H        ASN  33   8.322  -6.380  -3.826
  237    HA   ASN  33           HA       ASN  33   7.678  -8.718  -2.174
  238    HB2  ASN  33           HB3      ASN  33   6.426  -5.964  -2.142
  239    HB3  ASN  33           HB2      ASN  33   6.374  -7.165  -0.854
  240   HD21  ASN  33          HD22      ASN  33   9.424  -7.343  -2.249
  241   HD22  ASN  33          HD21      ASN  33  10.260  -6.312  -1.191
  242    H    GLY  34           H        GLY  34   6.956  -8.192  -5.152
  243    HA2  GLY  34           HA3      GLY  34   4.296  -7.800  -5.674
  244    HA3  GLY  34           HA2      GLY  34   5.229  -9.036  -6.513
  245    H    VAL  35           H        VAL  35   5.530 -10.279  -3.630
  246    HA   VAL  35           HA       VAL  35   3.624 -12.327  -3.925
  247    HB   VAL  35           HB       VAL  35   5.586 -12.151  -2.240
  248   HG11  VAL  35          HG11      VAL  35   4.458 -10.015  -1.286
  249   HG12  VAL  35          HG12      VAL  35   5.159 -11.165  -0.147
  250   HG13  VAL  35          HG13      VAL  35   3.416 -11.139  -0.418
  251   HG21  VAL  35          HG21      VAL  35   4.511 -13.763  -0.748
  252   HG22  VAL  35          HG22      VAL  35   3.976 -14.060  -2.402
  253   HG23  VAL  35          HG23      VAL  35   2.915 -13.222  -1.270
  254    H    ILE  36           H        ILE  36   3.321  -9.139  -2.532
  255    HA   ILE  36           HA       ILE  36   0.630  -9.596  -1.475
  256    HB   ILE  36           HB       ILE  36   2.425  -7.928  -0.622
  257   HG12  ILE  36          HG13      ILE  36  -0.458  -7.147  -1.125
  258   HG13  ILE  36          HG12      ILE  36   0.208  -7.934   0.303
  259   HG21  ILE  36          HG21      ILE  36   2.701  -6.988  -2.988
  260   HG22  ILE  36          HG22      ILE  36   2.546  -5.808  -1.689
  261   HG23  ILE  36          HG23      ILE  36   1.164  -6.163  -2.726
  262   HD11  ILE  36          HD11      ILE  36   0.703  -5.103  -0.636
  263   HD12  ILE  36          HD12      ILE  36   1.679  -5.882   0.610
  264   HD13  ILE  36          HD13      ILE  36  -0.045  -5.620   0.877
  265    H    ASP  37           H        ASP  37   1.951  -8.890  -4.514
  266    HA   ASP  37           HA       ASP  37   0.146  -7.047  -5.615
  267    HB2  ASP  37           HB3      ASP  37   0.865  -7.805  -7.769
  268    HB3  ASP  37           HB2      ASP  37   2.247  -7.879  -6.686
  269    H    SER  38           H        SER  38  -0.273 -10.588  -5.396
  270    HA   SER  38           HA       SER  38  -3.020 -10.163  -6.499
  271    HB2  SER  38           2HB      SER  38  -1.121 -11.773  -7.545
  272    HB3  SER  38           1HB      SER  38  -1.907 -12.903  -6.445
  273    H    LEU  39           H        LEU  39  -1.401 -12.578  -4.403
  274    HA   LEU  39           HA       LEU  39  -3.806 -13.342  -3.097
  275    HB2  LEU  39           HB3      LEU  39  -1.661 -14.638  -3.064
  276    HB3  LEU  39           HB2      LEU  39  -1.017 -13.443  -1.944
  277    HG   LEU  39           HG       LEU  39  -3.646 -14.559  -1.188
  278   HD11  LEU  39          HD11      LEU  39  -2.605 -16.649  -0.307
  279   HD12  LEU  39          HD12      LEU  39  -1.124 -16.245  -1.176
  280   HD13  LEU  39          HD13      LEU  39  -2.606 -16.587  -2.070
  281   HD21  LEU  39          HD21      LEU  39  -1.004 -14.110   0.241
  282   HD22  LEU  39          HD22      LEU  39  -2.494 -14.633   1.027
  283   HD23  LEU  39          HD23      LEU  39  -2.405 -13.039   0.279
  284    H    GLY  40           H        GLY  40  -1.261 -11.093  -2.030
  285    HA2  GLY  40           HA3      GLY  40  -2.707 -10.305   0.344
  286    HA3  GLY  40           HA2      GLY  40  -1.313  -9.476  -0.335
  287    H    LEU  41           H        LEU  41  -2.254  -8.851  -2.869
  288    HA   LEU  41           HA       LEU  41  -3.698  -6.459  -2.408
  289    HB2  LEU  41           HB3      LEU  41  -2.323  -7.016  -4.456
  290    HB3  LEU  41           HB2      LEU  41  -3.661  -8.032  -4.993
  291    HG   LEU  41           HG       LEU  41  -5.076  -5.840  -4.529
  292   HD11  LEU  41          HD11      LEU  41  -3.866  -3.805  -4.890
  293   HD12  LEU  41          HD12      LEU  41  -2.390  -4.682  -5.294
  294   HD13  LEU  41          HD13      LEU  41  -2.991  -4.684  -3.637
  295   HD21  LEU  41          HD21      LEU  41  -3.293  -6.332  -6.931
  296   HD22  LEU  41          HD22      LEU  41  -4.617  -5.167  -6.919
  297   HD23  LEU  41          HD23      LEU  41  -4.953  -6.886  -6.708
  298    H    LEU  42           H        LEU  42  -4.840  -9.667  -3.437
  299    HA   LEU  42           HA       LEU  42  -7.540  -8.935  -3.942
  300    HB2  LEU  42           HB3      LEU  42  -6.513 -11.166  -4.475
  301    HB3  LEU  42           HB2      LEU  42  -6.571 -11.554  -2.762
  302    HG   LEU  42           HG       LEU  42  -9.109 -10.893  -2.990
  303   HD11  LEU  42          HD11      LEU  42  -8.981 -10.084  -5.280
  304   HD12  LEU  42          HD12      LEU  42  -9.964 -11.547  -5.245
  305   HD13  LEU  42          HD13      LEU  42  -8.297 -11.617  -5.815
  306   HD21  LEU  42          HD21      LEU  42  -8.826 -13.094  -2.370
  307   HD22  LEU  42          HD22      LEU  42  -7.654 -13.411  -3.649
  308   HD23  LEU  42          HD23      LEU  42  -9.376 -13.363  -4.024
  309    H    LYS  43           H        LYS  43  -5.953  -9.976  -0.926
  310    HA   LYS  43           HA       LYS  43  -8.329  -9.818   0.681
  311    HB2  LYS  43           HB3      LYS  43  -5.406  -9.620   1.425
  312    HB3  LYS  43           HB2      LYS  43  -6.719  -9.784   2.584
  313    HG2  LYS  43           HG3      LYS  43  -7.395 -11.907   1.456
  314    HG3  LYS  43           HG2      LYS  43  -5.983 -11.761   0.409
  315    HD2  LYS  43           HD3      LYS  43  -4.532 -11.734   2.445
  316    HD3  LYS  43           HD2      LYS  43  -5.967 -12.021   3.430
  317    HE2  LYS  43           HE3      LYS  43  -4.963 -13.838   1.218
  318    HE3  LYS  43           HE2      LYS  43  -4.784 -14.136   2.947
  319    HZ1  LYS  43           HZ1      LYS  43  -6.676 -15.329   2.229
  320    HZ2  LYS  43           HZ2      LYS  43  -7.300 -13.995   1.387
  321    HZ3  LYS  43           HZ3      LYS  43  -7.261 -13.983   3.085
  322    H    VAL  44           H        VAL  44  -5.799  -7.508  -0.190
  323    HA   VAL  44           HA       VAL  44  -6.531  -5.449   1.649
  324    HB   VAL  44           HB       VAL  44  -5.207  -5.312  -1.067
  325   HG11  VAL  44          HG11      VAL  44  -6.134  -3.139  -0.644
  326   HG12  VAL  44          HG12      VAL  44  -4.429  -3.051  -0.201
  327   HG13  VAL  44          HG13      VAL  44  -5.660  -3.199   1.053
  328   HG21  VAL  44          HG21      VAL  44  -3.746  -4.723   1.436
  329   HG22  VAL  44          HG22      VAL  44  -3.246  -5.680   0.040
  330   HG23  VAL  44          HG23      VAL  44  -4.288  -6.394   1.271
  331    H    ILE  45           H        ILE  45  -7.543  -5.933  -1.758
  332    HA   ILE  45           HA       ILE  45  -9.173  -3.611  -1.891
  333    HB   ILE  45           HB       ILE  45  -9.557  -6.268  -3.304
  334   HG12  ILE  45          HG13      ILE  45  -7.329  -5.408  -3.750
  335   HG13  ILE  45          HG12      ILE  45  -8.329  -5.104  -5.167
  336   HG21  ILE  45          HG21      ILE  45 -10.551  -4.612  -5.040
  337   HG22  ILE  45          HG22      ILE  45 -10.689  -3.511  -3.669
  338   HG23  ILE  45          HG23      ILE  45 -11.532  -5.058  -3.644
  339   HD11  ILE  45          HD11      ILE  45  -7.289  -3.037  -4.879
  340   HD12  ILE  45          HD12      ILE  45  -7.302  -3.161  -3.120
  341   HD13  ILE  45          HD13      ILE  45  -8.793  -2.797  -3.991
  342    H    ALA  46           H        ALA  46  -9.986  -6.949  -0.948
  343    HA   ALA  46           HA       ALA  46 -12.769  -6.410  -0.478
  344    HB1  ALA  46           HB1      ALA  46 -10.846  -8.573   0.305
  345    HB2  ALA  46           HB2      ALA  46 -12.305  -8.682  -0.681
  346    HB3  ALA  46           HB3      ALA  46 -12.434  -8.517   1.070
  347    H    TRP  47           H        TRP  47  -9.952  -6.497   1.710
  348    HA   TRP  47           HA       TRP  47 -11.552  -5.781   4.032
  349    HB2  TRP  47           HB3      TRP  47  -9.687  -6.987   4.657
  350    HB3  TRP  47           HB2      TRP  47  -8.653  -6.205   3.463
  351    HD1  TRP  47           HD1      TRP  47 -10.820  -4.635   6.271
  352    HE1  TRP  47           HE1      TRP  47  -9.282  -3.114   7.680
  353    HE3  TRP  47           HE3      TRP  47  -6.385  -5.523   3.958
  354    HZ2  TRP  47           HZ2      TRP  47  -6.510  -2.378   7.801
  355    HZ3  TRP  47           HZ3      TRP  47  -4.302  -4.411   4.726
  356    HH2  TRP  47           HH2      TRP  47  -4.362  -2.841   6.643
  357    H    LEU  48           H        LEU  48  -9.257  -4.039   1.944
  358    HA   LEU  48           HA       LEU  48  -9.253  -1.583   3.328
  359    HB2  LEU  48           HB3      LEU  48  -7.766  -2.171   1.402
  360    HB3  LEU  48           HB2      LEU  48  -9.138  -1.958   0.328
  361    HG   LEU  48           HG       LEU  48  -9.382   0.373   1.188
  362   HD11  LEU  48          HD11      LEU  48  -7.228  -0.614   2.918
  363   HD12  LEU  48          HD12      LEU  48  -8.336   0.733   3.162
  364   HD13  LEU  48          HD13      LEU  48  -6.883   0.952   2.188
  365   HD21  LEU  48          HD21      LEU  48  -8.273   0.615  -0.781
  366   HD22  LEU  48          HD22      LEU  48  -7.172  -0.714  -0.418
  367   HD23  LEU  48          HD23      LEU  48  -6.852   0.897   0.225
  368    H    GLU  49           H        GLU  49 -11.490  -2.707   0.771
  369    HA   GLU  49           HA       GLU  49 -13.013  -0.278   0.690
  370    HB2  GLU  49           HB3      GLU  49 -13.425  -1.656  -1.144
  371    HB3  GLU  49           HB2      GLU  49 -13.504  -3.113  -0.168
  372    HG2  GLU  49           HG3      GLU  49 -15.673  -2.471   0.704
  373    HG3  GLU  49           HG2      GLU  49 -15.578  -0.913  -0.106
  374    H    ASP  50           H        ASP  50 -13.294  -3.228   2.631
  375    HA   ASP  50           HA       ASP  50 -15.754  -2.510   3.920
  376    HB2  ASP  50           HB3      ASP  50 -14.703  -4.804   3.895
  377    HB3  ASP  50           HB2      ASP  50 -13.531  -4.200   5.064
  378    H    ARG  51           H        ARG  51 -12.353  -1.920   4.720
  379    HA   ARG  51           HA       ARG  51 -12.769  -0.832   7.313
  380    HB2  ARG  51           HB3      ARG  51 -10.551  -1.482   6.388
  381    HB3  ARG  51           HB2      ARG  51 -10.609  -0.069   5.332
  382    HG2  ARG  51           HG3      ARG  51 -10.791   1.399   7.315
  383    HG3  ARG  51           HG2      ARG  51 -10.700  -0.017   8.363
  384    HD2  ARG  51           HD3      ARG  51  -8.475  -0.560   7.375
  385    HD3  ARG  51           HD2      ARG  51  -8.561   0.930   6.436
  386    HE   ARG  51           HE       ARG  51  -8.969   1.692   9.104
  387   HH11  ARG  51          HH22      ARG  51  -6.587   0.089   7.194
  388   HH12  ARG  51          HH21      ARG  51  -5.257   0.621   8.168
  389   HH21  ARG  51          HH11      ARG  51  -7.248   2.395  10.385
  390   HH22  ARG  51          HH12      ARG  51  -5.632   1.926   9.975
  391    H    PHE  52           H        PHE  52 -12.622   0.854   4.139
  392    HA   PHE  52           HA       PHE  52 -13.577   3.304   5.544
  393    HB2  PHE  52           HB3      PHE  52 -12.280   2.928   2.832
  394    HB3  PHE  52           HB2      PHE  52 -12.860   4.466   3.457
  395    HD1  PHE  52           HD2      PHE  52 -11.894   5.359   5.633
  396    HD2  PHE  52           HD1      PHE  52 -10.171   2.058   3.491
  397    HE1  PHE  52           HE2      PHE  52  -9.769   5.662   6.876
  398    HE2  PHE  52           HE1      PHE  52  -8.046   2.362   4.734
  399    HZ   PHE  52           HZ       PHE  52  -7.845   4.162   6.426
  400    H    GLY  53           H        GLY  53 -14.713   0.745   3.679
  401    HA2  GLY  53           HA3      GLY  53 -16.840   0.384   2.745
  402    HA3  GLY  53           HA2      GLY  53 -17.324   1.946   3.406
  403    H    ILE  54           H        ILE  54 -14.557   1.596   1.250
  404    HA   ILE  54           HA       ILE  54 -16.093   3.157  -0.793
  405    HB   ILE  54           HB       ILE  54 -13.920   4.026  -1.523
  406   HG12  ILE  54          HG13      ILE  54 -12.828   2.279   0.708
  407   HG13  ILE  54          HG12      ILE  54 -12.563   2.037  -1.019
  408   HG21  ILE  54          HG21      ILE  54 -14.160   5.617   0.049
  409   HG22  ILE  54          HG22      ILE  54 -13.434   4.563   1.260
  410   HG23  ILE  54          HG23      ILE  54 -15.173   4.513   0.978
  411   HD11  ILE  54          HD11      ILE  54 -10.652   3.218  -0.557
  412   HD12  ILE  54          HD12      ILE  54 -11.378   4.056   0.814
  413   HD13  ILE  54          HD13      ILE  54 -11.735   4.583  -0.830
  414    H    ALA  55           H        ALA  55 -16.038   2.478  -2.940
  415    HA   ALA  55           HA       ALA  55 -15.707  -0.310  -3.457
  416    HB1  ALA  55           HB1      ALA  55 -15.800   2.032  -5.385
  417    HB2  ALA  55           HB2      ALA  55 -17.179   1.083  -4.830
  418    HB3  ALA  55           HB3      ALA  55 -15.950   0.337  -5.851
  419    H    ALA  56           H        ALA  56 -14.093  -1.348  -4.807
  420    HA   ALA  56           HA       ALA  56 -11.415  -0.737  -4.133
  421    HB1  ALA  56           HB1      ALA  56 -12.211  -2.161  -6.679
  422    HB2  ALA  56           HB2      ALA  56 -12.372  -2.922  -5.096
  423    HB3  ALA  56           HB3      ALA  56 -10.782  -2.430  -5.681
  424    H    ASP  57           H        ASP  57 -13.427   0.390  -6.782
  425    HA   ASP  57           HA       ASP  57 -13.028   1.982  -8.455
  426    HB2  ASP  57           HB3      ASP  57 -10.994   2.882  -6.405
  427    HB3  ASP  57           HB2      ASP  57 -11.462   3.820  -7.820
  428    H    ASP  58           H        ASP  58 -11.821  -0.469  -8.931
  429    HA   ASP  58           HA       ASP  58  -9.548   0.371 -10.597
  430    HB2  ASP  58           HB3      ASP  58  -8.044  -1.375  -9.682
  431    HB3  ASP  58           HB2      ASP  58  -8.454  -0.168  -8.466
  432    H    VAL  59           H        VAL  59 -11.136  -0.240 -12.234
  433    HA   VAL  59           HA       VAL  59 -12.355  -2.797 -12.410
  434    HB   VAL  59           HB       VAL  59 -11.529  -0.854 -14.566
  435   HG11  VAL  59          HG11      VAL  59 -13.453  -2.240 -15.762
  436   HG12  VAL  59          HG12      VAL  59 -12.895  -3.514 -14.676
  437   HG13  VAL  59          HG13      VAL  59 -11.776  -2.783 -15.827
  438   HG21  VAL  59          HG21      VAL  59 -13.612  -0.878 -12.628
  439   HG22  VAL  59          HG22      VAL  59 -14.355  -1.199 -14.194
  440   HG23  VAL  59          HG23      VAL  59 -13.391   0.258 -13.958
  441    H    GLU  60           H        GLU  60  -9.237  -1.651 -13.693
  442    HA   GLU  60           HA       GLU  60  -8.516  -4.521 -14.157
  443    HB2  GLU  60           HB3      GLU  60  -8.776  -3.228 -16.271
  444    HB3  GLU  60           HB2      GLU  60  -7.522  -2.124 -15.717
  445    HG2  GLU  60           HG3      GLU  60  -5.956  -4.031 -15.539
  446    HG3  GLU  60           HG2      GLU  60  -7.205  -5.092 -16.177
  447    H    LEU  61           H        LEU  61  -6.577  -5.198 -13.305
  448    HA   LEU  61           HA       LEU  61  -5.034  -3.174 -11.752
  449    HB2  LEU  61           HB3      LEU  61  -5.006  -6.186 -11.427
  450    HB3  LEU  61           HB2      LEU  61  -4.329  -4.992 -10.325
  451    HG   LEU  61           HG       LEU  61  -7.244  -5.459 -10.948
  452   HD11  LEU  61          HD11      LEU  61  -6.544  -5.304  -8.165
  453   HD12  LEU  61          HD12      LEU  61  -5.478  -6.457  -8.968
  454   HD13  LEU  61          HD13      LEU  61  -7.227  -6.666  -9.053
  455   HD21  LEU  61          HD21      LEU  61  -7.113  -3.114 -10.806
  456   HD22  LEU  61          HD22      LEU  61  -5.833  -3.169  -9.593
  457   HD23  LEU  61          HD23      LEU  61  -7.486  -3.596  -9.151
  458    H    SER  62           H        SER  62  -2.857  -2.895 -12.221
  459    HA   SER  62           HA       SER  62  -1.585  -4.827 -14.079
  460    HB2  SER  62           HB3      SER  62  -2.082  -3.243 -15.681
  461    HB3  SER  62           HB2      SER  62  -2.083  -1.923 -14.521
  462    HG   SER  62           HG       SER  62  -0.043  -2.956 -16.024
  463    HA   PRO  63           HA       PRO  63   1.884  -4.467 -11.366
  464    HB2  PRO  63           HB2      PRO  63   3.963  -4.579 -13.203
  465    HB3  PRO  63           HB3      PRO  63   3.097  -5.988 -12.567
  466    HG2  PRO  63           HG3      PRO  63   2.782  -4.580 -15.158
  467    HG3  PRO  63           HG2      PRO  63   2.636  -6.304 -14.780
  468    HD2  PRO  63           HD3      PRO  63   0.466  -4.712 -15.185
  469    HD3  PRO  63           HD2      PRO  63   0.437  -6.105 -14.082
  470    H    GLU  64           H        GLU  64   1.706  -2.301 -14.120
  471    HA   GLU  64           HA       GLU  64   3.824  -0.532 -13.440
  472    HB2  GLU  64           HB3      GLU  64   1.205   0.025 -14.832
  473    HB3  GLU  64           HB2      GLU  64   2.566   1.136 -14.791
  474    HG2  GLU  64           HG3      GLU  64   3.977  -0.600 -15.855
  475    HG3  GLU  64           HG2      GLU  64   2.568  -1.649 -15.961
  476    H    HIS  65           H        HIS  65   0.579  -0.870 -12.164
  477    HA   HIS  65           HA       HIS  65   0.493   1.711 -10.859
  478    HB2  HIS  65           HB3      HIS  65  -1.538   0.410 -11.383
  479    HB3  HIS  65           HB2      HIS  65  -1.036  -0.829 -10.232
  480    HD1  HIS  65           HD1      HIS  65  -1.665   2.944 -10.215
  481    HD2  HIS  65           HD2      HIS  65  -2.019  -0.363  -7.697
  482    HE1  HIS  65           HE1      HIS  65  -2.726   3.783  -8.072
  483    HE2  HIS  65           HE2      HIS  65  -2.945   1.779  -6.533
  484    H    PHE  66           H        PHE  66   1.848  -1.395  -9.952
  485    HA   PHE  66           HA       PHE  66   2.254  -0.398  -7.169
  486    HB2  PHE  66           HB3      PHE  66   2.541  -3.170  -8.335
  487    HB3  PHE  66           HB2      PHE  66   2.751  -2.758  -6.638
  488    HD1  PHE  66           HD2      PHE  66   0.333  -3.041  -9.407
  489    HD2  PHE  66           HD1      PHE  66   0.844  -2.204  -5.223
  490    HE1  PHE  66           HE2      PHE  66  -2.117  -3.210  -9.075
  491    HE2  PHE  66           HE1      PHE  66  -1.609  -2.371  -4.894
  492    HZ   PHE  66           HZ       PHE  66  -3.089  -2.874  -6.820
  493    H    ARG  67           H        ARG  67   3.964  -0.070  -9.890
  494    HA   ARG  67           HA       ARG  67   6.483  -1.258  -9.394
  495    HB2  ARG  67           HB3      ARG  67   5.777   1.343 -10.759
  496    HB3  ARG  67           HB2      ARG  67   7.413   0.691 -10.723
  497    HG2  ARG  67           HG3      ARG  67   5.118  -1.002 -11.653
  498    HG3  ARG  67           HG2      ARG  67   5.904   0.117 -12.762
  499    HD2  ARG  67           HD3      ARG  67   8.109  -0.980 -12.106
  500    HD3  ARG  67           HD2      ARG  67   7.157  -2.219 -11.291
  501    HE   ARG  67           HE       ARG  67   6.074  -2.144 -13.832
  502   HH11  ARG  67          HH22      ARG  67   9.230  -2.449 -12.478
  503   HH12  ARG  67          HH21      ARG  67   9.836  -3.428 -13.772
  504   HH21  ARG  67          HH11      ARG  67   6.847  -3.420 -15.530
  505   HH22  ARG  67          HH12      ARG  67   8.486  -3.978 -15.500
  506    H    SER  68           H        SER  68   5.049   1.625  -7.971
  507    HA   SER  68           HA       SER  68   7.237   1.615  -5.983
  508    HB2  SER  68           HB3      SER  68   7.811   3.939  -6.293
  509    HB3  SER  68           HB2      SER  68   7.950   3.139  -7.856
  510    HG   SER  68           HG       SER  68   6.115   4.093  -8.518
  511    H    ILE  69           H        ILE  69   6.703   2.801  -4.052
  512    HA   ILE  69           HA       ILE  69   3.938   2.694  -3.316
  513    HB   ILE  69           HB       ILE  69   6.269   4.098  -1.982
  514   HG12  ILE  69          HG13      ILE  69   5.055   1.395  -1.414
  515   HG13  ILE  69          HG12      ILE  69   6.501   1.626  -2.384
  516   HG21  ILE  69          HG21      ILE  69   4.245   4.949  -1.056
  517   HG22  ILE  69          HG22      ILE  69   4.812   3.706   0.058
  518   HG23  ILE  69          HG23      ILE  69   3.500   3.352  -1.063
  519   HD11  ILE  69          HD11      ILE  69   6.497   1.278   0.340
  520   HD12  ILE  69          HD12      ILE  69   6.562   3.035   0.195
  521   HD13  ILE  69          HD13      ILE  69   7.801   2.040  -0.570
  522    H    ARG  70           H        ARG  70   6.059   5.335  -4.356
  523    HA   ARG  70           HA       ARG  70   4.362   7.507  -3.674
  524    HB2  ARG  70           HB3      ARG  70   6.320   7.225  -5.970
  525    HB3  ARG  70           HB2      ARG  70   5.601   8.749  -5.447
  526    HG2  ARG  70           HG3      ARG  70   6.557   8.368  -3.169
  527    HG3  ARG  70           HG2      ARG  70   7.366   6.927  -3.787
  528    HD2  ARG  70           HD3      ARG  70   7.770   9.766  -4.773
  529    HD3  ARG  70           HD2      ARG  70   8.919   8.816  -3.829
  530    HE   ARG  70           HE       ARG  70   8.217   7.409  -6.239
  531   HH11  ARG  70          HH22      ARG  70   9.994  10.082  -4.981
  532   HH12  ARG  70          HH21      ARG  70  11.179  10.060  -6.244
  533   HH21  ARG  70          HH11      ARG  70   9.753   7.366  -7.897
  534   HH22  ARG  70          HH12      ARG  70  11.042   8.523  -7.896
  535    H    SER  71           H        SER  71   4.389   5.438  -6.575
  536    HA   SER  71           HA       SER  71   2.528   6.976  -8.091
  537    HB2  SER  71           HB3      SER  71   2.219   4.975  -9.408
  538    HB3  SER  71           HB2      SER  71   3.914   5.048  -8.943
  539    HG   SER  71           HG       SER  71   3.291   3.020  -8.436
  540    H    ILE  72           H        ILE  72   2.054   4.387  -5.698
  541    HA   ILE  72           HA       ILE  72  -0.804   4.280  -5.971
  542    HB   ILE  72           HB       ILE  72   0.962   3.540  -3.620
  543   HG12  ILE  72          HG13      ILE  72  -0.144   1.823  -5.866
  544   HG13  ILE  72          HG12      ILE  72   1.522   2.396  -5.777
  545   HG21  ILE  72          HG21      ILE  72  -1.888   3.585  -3.989
  546   HG22  ILE  72          HG22      ILE  72  -0.968   3.092  -2.568
  547   HG23  ILE  72          HG23      ILE  72  -1.344   1.917  -3.827
  548   HD11  ILE  72          HD11      ILE  72   0.283   0.154  -4.407
  549   HD12  ILE  72          HD12      ILE  72   1.020   1.272  -3.259
  550   HD13  ILE  72          HD13      ILE  72   1.992   0.565  -4.550
  551    H    ASP  73           H        ASP  73   1.397   6.110  -3.882
  552    HA   ASP  73           HA       ASP  73  -0.488   7.211  -2.092
  553    HB2  ASP  73           HB3      ASP  73   2.010   7.443  -1.940
  554    HB3  ASP  73           HB2      ASP  73   1.928   8.641  -3.231
  555    H    ALA  74           H        ALA  74   0.482   8.355  -5.328
  556    HA   ALA  74           HA       ALA  74  -1.086  10.758  -5.230
  557    HB1  ALA  74           HB1      ALA  74   0.343   9.202  -7.301
  558    HB2  ALA  74           HB2      ALA  74   0.322  10.942  -7.015
  559    HB3  ALA  74           HB3      ALA  74  -1.004  10.177  -7.891
  560    H    PHE  75           H        PHE  75  -1.799   7.498  -6.461
  561    HA   PHE  75           HA       PHE  75  -4.395   8.123  -7.479
  562    HB2  PHE  75           HB3      PHE  75  -3.134   6.026  -7.980
  563    HB3  PHE  75           HB2      PHE  75  -3.459   5.488  -6.334
  564    HD1  PHE  75           HD2      PHE  75  -5.012   6.362  -9.581
  565    HD2  PHE  75           HD1      PHE  75  -5.634   4.697  -5.670
  566    HE1  PHE  75           HE2      PHE  75  -7.240   5.533 -10.288
  567    HE2  PHE  75           HE1      PHE  75  -7.862   3.868  -6.378
  568    HZ   PHE  75           HZ       PHE  75  -8.665   4.286  -8.687
  569    H    VAL  76           H        VAL  76  -3.375   6.840  -4.303
  570    HA   VAL  76           HA       VAL  76  -6.018   6.715  -3.216
  571    HB   VAL  76           HB       VAL  76  -3.295   6.950  -1.910
  572   HG11  VAL  76          HG11      VAL  76  -6.062   6.643  -0.762
  573   HG12  VAL  76          HG12      VAL  76  -4.775   7.738  -0.257
  574   HG13  VAL  76          HG13      VAL  76  -4.651   6.013   0.086
  575   HG21  VAL  76          HG21      VAL  76  -4.392   4.868  -3.307
  576   HG22  VAL  76          HG22      VAL  76  -4.954   4.513  -1.673
  577   HG23  VAL  76          HG23      VAL  76  -3.227   4.671  -1.997
  578    H    VAL  77           H        VAL  77  -3.488   9.246  -3.063
  579    HA   VAL  77           HA       VAL  77  -4.937  11.015  -1.361
  580    HB   VAL  77           HB       VAL  77  -2.801  11.474  -3.451
  581   HG11  VAL  77          HG11      VAL  77  -4.206  13.420  -1.619
  582   HG12  VAL  77          HG12      VAL  77  -3.985  13.537  -3.364
  583   HG13  VAL  77          HG13      VAL  77  -2.605  13.739  -2.285
  584   HG21  VAL  77          HG21      VAL  77  -2.697  10.406  -0.901
  585   HG22  VAL  77          HG22      VAL  77  -2.314  12.105  -0.621
  586   HG23  VAL  77          HG23      VAL  77  -1.339  11.155  -1.742
  587    H    GLY  78           H        GLY  78  -4.858  10.662  -4.891
  588    HA2  GLY  78           HA3      GLY  78  -6.412  12.929  -5.561
  589    HA3  GLY  78           HA2      GLY  78  -6.332  11.457  -6.527
  590    H    ALA  79           H        ALA  79  -7.415   9.749  -4.368
  591    HA   ALA  79           HA       ALA  79 -10.255  10.592  -4.654
  592    HB1  ALA  79           HB1      ALA  79 -10.193   8.465  -5.532
  593    HB2  ALA  79           HB2      ALA  79 -10.499   8.065  -3.842
  594    HB3  ALA  79           HB3      ALA  79  -8.862   7.963  -4.490
  595    H    THR  80           H        THR  80  -8.097   9.091  -2.225
  596    HA   THR  80           HA       THR  80  -9.407  10.666  -0.123
  597    HB   THR  80           HB       THR  80  -9.526   7.647  -0.041
  598    HG1  THR  80           HG1      THR  80 -11.014   8.591  -1.503
  599   HG21  THR  80          HG21      THR  80 -10.723   9.729   1.801
  600   HG22  THR  80          HG22      THR  80  -9.261   8.808   2.152
  601   HG23  THR  80          HG23      THR  80 -10.810   7.979   1.999
  602    H    THR  81           H        THR  81  -8.024  10.979   1.606
  603    HA   THR  81           HA       THR  81  -5.500   9.378   1.614
  604    HB   THR  81           HB       THR  81  -4.936  11.580   0.849
  605    HG1  THR  81           HG1      THR  81  -3.424  11.121   2.287
  606   HG21  THR  81          HG21      THR  81  -5.751  13.279   2.968
  607   HG22  THR  81          HG22      THR  81  -7.160  12.320   2.513
  608   HG23  THR  81          HG23      THR  81  -6.322  13.287   1.299
  609    HA   PRO  82           HA       PRO  82  -7.342   9.032   5.800
  610    HB2  PRO  82           HB2      PRO  82  -7.445   6.362   5.959
  611    HB3  PRO  82           HB3      PRO  82  -8.618   7.267   4.981
  612    HG2  PRO  82           HG3      PRO  82  -6.282   5.657   4.120
  613    HG3  PRO  82           HG2      PRO  82  -7.837   5.919   3.313
  614    HD2  PRO  82           HD3      PRO  82  -5.393   7.275   2.768
  615    HD3  PRO  82           HD2      PRO  82  -7.001   7.679   2.125
  616    HA   PRO  83           HA       PRO  83  -3.045   8.234   7.211
  617    HB2  PRO  83           HB2      PRO  83  -3.148   9.771   9.458
  618    HB3  PRO  83           HB3      PRO  83  -2.867  10.446   7.842
  619    HG2  PRO  83           HG3      PRO  83  -5.317  10.469   9.501
  620    HG3  PRO  83           HG2      PRO  83  -4.718  11.669   8.346
  621    HD2  PRO  83           HD3      PRO  83  -6.745   9.810   7.839
  622    HD3  PRO  83           HD2      PRO  83  -5.837  10.702   6.599
  623    H    VAL  84           H        VAL  84  -2.443   6.505   8.478
  624    HA   VAL  84           HA       VAL  84  -4.283   5.704  10.703
  625    HB   VAL  84           HB       VAL  84  -2.697   3.855   8.897
  626   HG11  VAL  84          HG11      VAL  84  -3.881   2.077  10.021
  627   HG12  VAL  84          HG12      VAL  84  -4.886   3.232  10.898
  628   HG13  VAL  84          HG13      VAL  84  -3.166   3.101  11.264
  629   HG21  VAL  84          HG21      VAL  84  -4.591   5.014   7.743
  630   HG22  VAL  84          HG22      VAL  84  -5.684   4.388   8.978
  631   HG23  VAL  84          HG23      VAL  84  -4.847   3.276   7.895
  632    H    GLU  85           H        GLU  85  -3.290   5.400  12.657
  633    HA   GLU  85           HA       GLU  85  -0.549   6.161  13.026
  634    HB2  GLU  85           HB3      GLU  85  -2.444   4.656  14.857
  635    HB3  GLU  85           HB2      GLU  85  -0.882   5.308  15.353
  636    HG2  GLU  85           HG3      GLU  85  -1.638   7.577  14.676
  637    HG3  GLU  85           HG2      GLU  85  -3.217   6.908  14.265
  638    H    ALA  86           H        ALA  86  -2.153   3.021  12.697
  639    HA   ALA  86           HA       ALA  86   0.486   1.798  12.169
  640    HB1  ALA  86           HB1      ALA  86  -0.367   1.625  14.706
  641    HB2  ALA  86           HB2      ALA  86   0.485   0.297  13.917
  642    HB3  ALA  86           HB3      ALA  86  -1.275   0.272  14.031
  643    H    LYS  87           H        LYS  87   0.309  -0.128  10.915
  644    HA   LYS  87           HA       LYS  87  -1.917  -0.278   9.148
  645    HB2  LYS  87           HB3      LYS  87   0.390  -1.177   8.688
  646    HB3  LYS  87           HB2      LYS  87   0.030  -2.514   9.781
  647    HG2  LYS  87           HG3      LYS  87  -1.935  -3.100   8.369
  648    HG3  LYS  87           HG2      LYS  87  -1.488  -1.811   7.250
  649    HD2  LYS  87           HD3      LYS  87   0.798  -2.949   7.079
  650    HD3  LYS  87           HD2      LYS  87   0.063  -4.324   7.901
  651    HE2  LYS  87           HE3      LYS  87  -0.225  -3.453   5.122
  652    HE3  LYS  87           HE2      LYS  87  -0.590  -5.017   5.850
  653    HZ1  LYS  87           HZ1      LYS  87  -2.305  -2.595   5.883
  654    HZ2  LYS  87           HZ2      LYS  87  -2.641  -4.011   6.754
  655    HZ3  LYS  87           HZ3      LYS  87  -2.606  -4.048   5.055
  656    H    LEU  88           H        LEU  88  -1.135  -2.110  12.088
  657    HA   LEU  88           HA       LEU  88  -3.245  -4.017  11.906
  658    HB2  LEU  88           HB3      LEU  88  -2.045  -2.792  14.411
  659    HB3  LEU  88           HB2      LEU  88  -2.943  -4.307  14.324
  660    HG   LEU  88           HG       LEU  88  -0.305  -3.711  12.949
  661   HD11  LEU  88          HD11      LEU  88  -0.957  -4.662  15.565
  662   HD12  LEU  88          HD12      LEU  88   0.638  -4.511  14.828
  663   HD13  LEU  88          HD13      LEU  88  -0.277  -6.009  14.650
  664   HD21  LEU  88          HD21      LEU  88  -1.307  -5.206  11.475
  665   HD22  LEU  88          HD22      LEU  88  -2.292  -5.949  12.736
  666   HD23  LEU  88          HD23      LEU  88  -0.574  -6.331  12.618
  667    H    GLN  89           H        GLN  89  -3.178  -0.691  13.092
  668    HA   GLN  89           HA       GLN  89  -6.156  -0.825  13.349
  669    HB2  GLN  89           HB3      GLN  89  -4.199   0.687  15.106
  670    HB3  GLN  89           HB2      GLN  89  -5.954   0.849  15.190
  671    HG2  GLN  89           HG3      GLN  89  -6.170  -1.537  15.727
  672    HG3  GLN  89           HG2      GLN  89  -4.422  -1.737  15.599
  673   HE21  GLN  89          HE22      GLN  89  -5.807  -2.306  18.046
  674   HE22  GLN  89          HE21      GLN  89  -5.330  -1.163  19.207
  675    H1   PN7 101           3HO      SAT  38  -0.505  -9.093  -8.639
  676    H2   PN7 101           1H1      SAT  38  -3.491  -9.305 -10.449
  677    H3   PN7 101           2H1      SAT  38  -2.157 -10.103 -11.280
  678    H5   PN7 101          3HE1      SAT  38  -2.969  -7.700  -8.840
  679    H6   PN7 101          1HE1      SAT  38  -2.229  -6.292  -9.603
  680    H7   PN7 101          2HE1      SAT  38  -1.271  -7.329  -8.546
  681    H8   PN7 101          2HE2      SAT  38  -3.077  -7.317 -11.857
  682    H9   PN7 101          3HE2      SAT  38  -1.642  -7.995 -12.622
  683    H10  PN7 101          1HE2      SAT  38  -1.541  -6.454 -11.770
  684    H11  PN7 101           3H       SAT  38   0.136  -8.929 -11.362
  685    H12  PN7 101           5H       SAT  38   2.058  -7.029 -11.620
  686    H13  PN7 101           2H6      SAT  38   3.897  -7.083 -10.142
  687    H14  PN7 101           1H6      SAT  38   2.831  -7.708  -8.886
  688    H15  PN7 101           1H7      SAT  38   1.876  -5.150  -9.236
  689    H16  PN7 101           2H7      SAT  38   3.606  -4.931  -9.483
  690    H17  PN7 101           9H       SAT  38   1.484  -4.491  -7.200
  691    H18  PN7 101          2H10      SAT  38   2.234  -6.285  -5.084
  692    H19  PN7 101          1H10      SAT  38   1.286  -4.814  -4.885
  693    H20  PN7 101          1H11      SAT  38   4.078  -4.228  -5.492
  694    H21  PN7 101          2H11      SAT  38   3.917  -5.206  -4.033
  695    H22  PN7 101          2HS1      SAT  38   2.300  -3.362  -3.063
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1   1.289  11.363   1.457
    2    H2   MET   1           H2       MET   1   0.428  11.964   2.792
    3    H3   MET   1           H3       MET   1  -0.218  10.699   1.860
    4    HA   MET   1           HA       MET   1   1.291   9.141   2.664
    5    HB2  MET   1           HB3      MET   1   2.828  11.530   3.731
    6    HB3  MET   1           HB2      MET   1   3.262   9.844   4.020
    7    HG2  MET   1           HG3      MET   1   3.348   9.525   1.522
    8    HG3  MET   1           HG2      MET   1   3.142  11.267   1.351
    9    HE1  MET   1           HE1      MET   1   4.360  12.900   2.620
   10    HE2  MET   1           HE2      MET   1   6.104  12.893   2.865
   11    HE3  MET   1           HE3      MET   1   5.031  12.228   4.104
   12    H    GLN   2           H        GLN   2  -1.015  10.900   3.716
   13    HA   GLN   2           HA       GLN   2  -0.820  11.123   6.544
   14    HB2  GLN   2           HB3      GLN   2  -3.253  10.551   4.822
   15    HB3  GLN   2           HB2      GLN   2  -3.308  11.060   6.511
   16    HG2  GLN   2           HG3      GLN   2  -2.129  13.143   5.933
   17    HG3  GLN   2           HG2      GLN   2  -2.051  12.635   4.245
   18   HE21  GLN   2          HE22      GLN   2  -3.404  15.040   4.962
   19   HE22  GLN   2          HE21      GLN   2  -5.067  14.826   4.698
   20    H    HIS   3           H        HIS   3  -1.729   8.395   4.475
   21    HA   HIS   3           HA       HIS   3  -1.766   6.660   6.919
   22    HB2  HIS   3           HB3      HIS   3  -3.113   5.990   4.300
   23    HB3  HIS   3           HB2      HIS   3  -3.415   5.301   5.896
   24    HD1  HIS   3           HD1      HIS   3  -4.080   7.437   7.716
   25    HD2  HIS   3           HD2      HIS   3  -5.109   7.784   3.688
   26    HE1  HIS   3           HE1      HIS   3  -5.912   9.185   7.590
   27    HE2  HIS   3           HE2      HIS   3  -6.548   9.400   5.144
   28    H    ALA   4           H        ALA   4   0.316   7.534   4.706
   29    HA   ALA   4           HA       ALA   4   1.057   5.220   3.238
   30    HB1  ALA   4           HB1      ALA   4   2.394   7.731   4.085
   31    HB2  ALA   4           HB2      ALA   4   2.270   7.008   2.482
   32    HB3  ALA   4           HB3      ALA   4   3.456   6.398   3.635
   33    H    SER   5           H        SER   5   1.751   6.146   6.581
   34    HA   SER   5           HA       SER   5   3.845   4.305   7.087
   35    HB2  SER   5           HB3      SER   5   3.045   6.105   8.661
   36    HB3  SER   5           HB2      SER   5   1.661   5.084   9.037
   37    HG   SER   5           HG       SER   5   4.397   4.366   9.326
   38    H    VAL   6           H        VAL   6   0.318   3.853   7.369
   39    HA   VAL   6           HA       VAL   6   0.498   1.111   8.226
   40    HB   VAL   6           HB       VAL   6  -1.712   2.627   6.824
   41   HG11  VAL   6          HG11      VAL   6  -1.434  -0.224   7.606
   42   HG12  VAL   6          HG12      VAL   6  -2.439   0.505   6.353
   43   HG13  VAL   6          HG13      VAL   6  -2.958   0.552   8.038
   44   HG21  VAL   6          HG21      VAL   6  -1.794   1.647   9.653
   45   HG22  VAL   6          HG22      VAL   6  -2.565   3.064   8.939
   46   HG23  VAL   6          HG23      VAL   6  -0.836   3.083   9.290
   47    H    ILE   7           H        ILE   7   0.270   2.671   5.065
   48    HA   ILE   7           HA       ILE   7  -0.078   0.344   3.481
   49    HB   ILE   7           HB       ILE   7   1.404   2.910   2.844
   50   HG12  ILE   7          HG13      ILE   7  -1.442   2.059   2.217
   51   HG13  ILE   7          HG12      ILE   7  -1.000   3.126   3.549
   52   HG21  ILE   7          HG21      ILE   7   0.418   0.621   1.125
   53   HG22  ILE   7          HG22      ILE   7   2.044   1.299   1.200
   54   HG23  ILE   7          HG23      ILE   7   0.736   2.224   0.463
   55   HD11  ILE   7          HD11      ILE   7  -1.284   3.740   0.720
   56   HD12  ILE   7          HD12      ILE   7   0.303   4.215   1.327
   57   HD13  ILE   7          HD13      ILE   7  -1.158   4.838   2.095
   58    H    ALA   8           H        ALA   8   2.945   2.015   4.411
   59    HA   ALA   8           HA       ALA   8   4.687   0.095   3.189
   60    HB1  ALA   8           HB1      ALA   8   5.478   2.320   3.900
   61    HB2  ALA   8           HB2      ALA   8   6.430   1.050   4.669
   62    HB3  ALA   8           HB3      ALA   8   5.180   1.892   5.585
   63    H    GLN   9           H        GLN   9   3.386   0.402   6.469
   64    HA   GLN   9           HA       GLN   9   4.710  -1.895   7.561
   65    HB2  GLN   9           HB3      GLN   9   3.642  -0.119   8.936
   66    HB3  GLN   9           HB2      GLN   9   2.062  -0.651   8.362
   67    HG2  GLN   9           HG3      GLN   9   3.318  -2.987   9.271
   68    HG3  GLN   9           HG2      GLN   9   3.708  -1.763  10.478
   69   HE21  GLN   9          HE22      GLN   9   0.858  -2.913   8.581
   70   HE22  GLN   9          HE21      GLN   9  -0.256  -2.682   9.842
   71    H    PHE  10           H        PHE  10   1.589  -1.447   5.964
   72    HA   PHE  10           HA       PHE  10   0.575  -4.075   6.397
   73    HB2  PHE  10           HB3      PHE  10  -0.695  -2.036   5.562
   74    HB3  PHE  10           HB2      PHE  10   0.029  -2.335   3.983
   75    HD1  PHE  10           HD2      PHE  10  -2.321  -3.573   6.523
   76    HD2  PHE  10           HD1      PHE  10  -0.599  -4.289   2.656
   77    HE1  PHE  10           HE2      PHE  10  -4.079  -5.257   6.054
   78    HE2  PHE  10           HE1      PHE  10  -2.359  -5.973   2.185
   79    HZ   PHE  10           HZ       PHE  10  -4.100  -6.454   3.885
   80    H    VAL  11           H        VAL  11   2.294  -2.709   3.583
   81    HA   VAL  11           HA       VAL  11   2.423  -5.261   2.218
   82    HB   VAL  11           HB       VAL  11   2.494  -3.081   1.031
   83   HG11  VAL  11          HG11      VAL  11   4.367  -1.634   1.166
   84   HG12  VAL  11          HG12      VAL  11   5.345  -2.844   1.997
   85   HG13  VAL  11          HG13      VAL  11   4.011  -2.057   2.839
   86   HG21  VAL  11          HG21      VAL  11   3.376  -5.058  -0.099
   87   HG22  VAL  11          HG22      VAL  11   4.935  -4.853   0.698
   88   HG23  VAL  11          HG23      VAL  11   4.389  -3.669  -0.489
   89    H    VAL  12           H        VAL  12   4.873  -3.334   3.984
   90    HA   VAL  12           HA       VAL  12   7.031  -5.142   3.622
   91    HB   VAL  12           HB       VAL  12   6.436  -3.208   5.857
   92   HG11  VAL  12          HG11      VAL  12   8.579  -5.200   5.513
   93   HG12  VAL  12          HG12      VAL  12   8.064  -4.344   6.966
   94   HG13  VAL  12          HG13      VAL  12   9.159  -3.564   5.824
   95   HG21  VAL  12          HG21      VAL  12   8.680  -2.540   4.210
   96   HG22  VAL  12          HG22      VAL  12   7.159  -1.664   4.385
   97   HG23  VAL  12          HG23      VAL  12   7.316  -2.920   3.158
   98    H    GLU  13           H        GLU  13   4.467  -5.107   6.052
   99    HA   GLU  13           HA       GLU  13   5.571  -7.031   7.819
  100    HB2  GLU  13           HB3      GLU  13   3.547  -5.680   8.314
  101    HB3  GLU  13           HB2      GLU  13   2.654  -6.639   7.141
  102    HG2  GLU  13           HG3      GLU  13   3.213  -8.689   8.453
  103    HG3  GLU  13           HG2      GLU  13   3.968  -7.654   9.662
  104    H    GLU  14           H        GLU  14   3.816  -7.429   4.791
  105    HA   GLU  14           HA       GLU  14   3.371 -10.249   5.037
  106    HB2  GLU  14           HB3      GLU  14   3.615  -8.493   2.583
  107    HB3  GLU  14           HB2      GLU  14   3.053 -10.165   2.561
  108    HG2  GLU  14           HG3      GLU  14   1.234  -9.551   4.141
  109    HG3  GLU  14           HG2      GLU  14   1.772  -7.872   4.078
  110    H    PHE  15           H        PHE  15   6.139  -8.391   3.823
  111    HA   PHE  15           HA       PHE  15   7.462 -10.967   3.096
  112    HB2  PHE  15           HB3      PHE  15   8.392  -8.164   2.444
  113    HB3  PHE  15           HB2      PHE  15   8.953  -9.677   1.727
  114    HD1  PHE  15           HD2      PHE  15   7.467 -10.985   0.219
  115    HD2  PHE  15           HD1      PHE  15   6.317  -7.169   1.803
  116    HE1  PHE  15           HE2      PHE  15   5.639 -10.841  -1.453
  117    HE2  PHE  15           HE1      PHE  15   4.486  -7.024   0.147
  118    HZ   PHE  15           HZ       PHE  15   4.146  -8.859  -1.490
  119    H    LEU  16           H        LEU  16   8.392  -7.853   4.642
  120    HA   LEU  16           HA       LEU  16  10.290  -9.443   6.333
  121    HB2  LEU  16           HB3      LEU  16  10.687  -7.073   4.651
  122    HB3  LEU  16           HB2      LEU  16  11.318  -6.888   6.286
  123    HG   LEU  16           HG       LEU  16  12.551  -9.020   6.046
  124   HD11  LEU  16          HD11      LEU  16  10.945  -9.104   3.564
  125   HD12  LEU  16          HD12      LEU  16  11.596 -10.428   4.529
  126   HD13  LEU  16          HD13      LEU  16  12.631  -9.585   3.376
  127   HD21  LEU  16          HD21      LEU  16  13.468  -6.732   5.295
  128   HD22  LEU  16          HD22      LEU  16  13.146  -7.275   3.648
  129   HD23  LEU  16          HD23      LEU  16  14.286  -8.160   4.662
  130    HA   PRO  17           HA       PRO  17   7.659  -7.111   9.278
  131    HB2  PRO  17           HB2      PRO  17   6.874  -9.332  10.723
  132    HB3  PRO  17           HB3      PRO  17   5.983  -8.663   9.348
  133    HG2  PRO  17           HG3      PRO  17   7.419 -11.145   9.529
  134    HG3  PRO  17           HG2      PRO  17   6.390 -10.545   8.226
  135    HD2  PRO  17           HD3      PRO  17   9.316 -10.582   8.378
  136    HD3  PRO  17           HD2      PRO  17   8.271 -10.278   6.973
  137    H    ASP  18           H        ASP  18  10.312  -9.312   9.603
  138    HA   ASP  18           HA       ASP  18  10.627  -9.032  12.481
  139    HB2  ASP  18           HB3      ASP  18  12.757 -10.174  12.130
  140    HB3  ASP  18           HB2      ASP  18  11.497 -10.983  11.203
  141    H    VAL  19           H        VAL  19  11.042  -6.898   9.975
  142    HA   VAL  19           HA       VAL  19  13.189  -5.404  11.434
  143    HB   VAL  19           HB       VAL  19  13.668  -6.103   9.024
  144   HG11  VAL  19          HG11      VAL  19  11.785  -3.883   8.268
  145   HG12  VAL  19          HG12      VAL  19  11.191  -5.535   8.422
  146   HG13  VAL  19          HG13      VAL  19  12.457  -5.160   7.254
  147   HG21  VAL  19          HG21      VAL  19  13.823  -3.406  10.221
  148   HG22  VAL  19          HG22      VAL  19  14.024  -3.444   8.469
  149   HG23  VAL  19          HG23      VAL  19  15.096  -4.391   9.502
  150    H    ALA  20           H        ALA  20  12.747  -3.140  11.827
  151    HA   ALA  20           HA       ALA  20  10.021  -2.518  12.346
  152    HB1  ALA  20           HB1      ALA  20  12.596  -1.129  12.465
  153    HB2  ALA  20           HB2      ALA  20  11.205  -1.004  13.542
  154    HB3  ALA  20           HB3      ALA  20  11.258  -0.056  12.056
  155    HA   PRO  21           HA       PRO  21   9.054  -1.781   7.974
  156    HB2  PRO  21           HB2      PRO  21   6.422  -0.883   8.662
  157    HB3  PRO  21           HB3      PRO  21   6.896  -2.433   7.952
  158    HG2  PRO  21           HG3      PRO  21   5.983  -1.916  10.585
  159    HG3  PRO  21           HG2      PRO  21   6.484  -3.456   9.879
  160    HD2  PRO  21           HD3      PRO  21   7.882  -1.846  11.823
  161    HD3  PRO  21           HD2      PRO  21   8.337  -3.428  11.164
  162    H    ALA  22           H        ALA  22   8.556   0.466  10.617
  163    HA   ALA  22           HA       ALA  22   8.009   2.790   8.995
  164    HB1  ALA  22           HB1      ALA  22   7.497   2.672  11.427
  165    HB2  ALA  22           HB2      ALA  22   8.504   4.065  11.032
  166    HB3  ALA  22           HB3      ALA  22   9.227   2.636  11.771
  167    H    ASP  23           H        ASP  23  10.857   0.993   9.662
  168    HA   ASP  23           HA       ASP  23  12.709   3.210   9.170
  169    HB2  ASP  23           HB3      ASP  23  13.278   1.254  10.644
  170    HB3  ASP  23           HB2      ASP  23  13.270   0.229   9.208
  171    H    VAL  24           H        VAL  24  10.734   1.302   7.250
  172    HA   VAL  24           HA       VAL  24  12.449   0.810   4.996
  173    HB   VAL  24           HB       VAL  24   9.451   1.291   5.014
  174   HG11  VAL  24          HG11      VAL  24   9.788   1.157   2.772
  175   HG12  VAL  24          HG12      VAL  24  10.043  -0.563   3.065
  176   HG13  VAL  24          HG13      VAL  24  11.425   0.529   2.968
  177   HG21  VAL  24          HG21      VAL  24   9.137  -0.862   5.729
  178   HG22  VAL  24          HG22      VAL  24  10.730  -0.631   6.450
  179   HG23  VAL  24          HG23      VAL  24  10.576  -1.453   4.897
  180    H    ASP  25           H        ASP  25  13.053   2.194   3.342
  181    HA   ASP  25           HA       ASP  25  12.785   5.027   3.765
  182    HB2  ASP  25           HB3      ASP  25  14.665   3.881   2.513
  183    HB3  ASP  25           HB2      ASP  25  13.538   3.643   1.176
  184    H    VAL  26           H        VAL  26  10.432   5.243   3.918
  185    HA   VAL  26           HA       VAL  26   8.624   4.522   1.847
  186    HB   VAL  26           HB       VAL  26   7.765   5.171   3.992
  187   HG11  VAL  26          HG11      VAL  26   9.454   6.609   4.847
  188   HG12  VAL  26          HG12      VAL  26   8.032   7.638   4.680
  189   HG13  VAL  26          HG13      VAL  26   9.320   7.711   3.477
  190   HG21  VAL  26          HG21      VAL  26   7.065   7.577   2.348
  191   HG22  VAL  26          HG22      VAL  26   6.011   6.533   3.301
  192   HG23  VAL  26          HG23      VAL  26   6.635   5.975   1.749
  193    H    ASP  27           H        ASP  27  11.245   6.431   1.468
  194    HA   ASP  27           HA       ASP  27   9.898   8.382  -0.337
  195    HB2  ASP  27           HB3      ASP  27  12.748   8.232   0.696
  196    HB3  ASP  27           HB2      ASP  27  12.162   9.456  -0.429
  197    H    LEU  28           H        LEU  28  10.938   5.332  -0.532
  198    HA   LEU  28           HA       LEU  28  12.348   5.619  -3.137
  199    HB2  LEU  28           HB3      LEU  28  13.309   4.109  -1.396
  200    HB3  LEU  28           HB2      LEU  28  11.845   3.133  -1.476
  201    HG   LEU  28           HG       LEU  28  12.587   3.370  -4.138
  202   HD11  LEU  28          HD11      LEU  28  14.928   2.973  -4.309
  203   HD12  LEU  28          HD12      LEU  28  15.089   2.732  -2.569
  204   HD13  LEU  28          HD13      LEU  28  14.766   4.343  -3.210
  205   HD21  LEU  28          HD21      LEU  28  13.136   1.226  -2.068
  206   HD22  LEU  28          HD22      LEU  28  13.378   0.979  -3.798
  207   HD23  LEU  28          HD23      LEU  28  11.764   1.324  -3.173
  208    H    ASP  29           H        ASP  29  11.384   4.951  -5.045
  209    HA   ASP  29           HA       ASP  29   8.545   4.697  -5.152
  210    HB2  ASP  29           HB3      ASP  29  10.673   3.858  -7.149
  211    HB3  ASP  29           HB2      ASP  29   8.944   3.888  -7.499
  212    H    LEU  30           H        LEU  30   7.348   2.970  -4.523
  213    HA   LEU  30           HA       LEU  30   8.586   0.509  -3.705
  214    HB2  LEU  30           HB3      LEU  30   6.345  -0.259  -3.226
  215    HB3  LEU  30           HB2      LEU  30   6.449   1.439  -2.761
  216    HG   LEU  30           HG       LEU  30   5.697   1.503  -5.455
  217   HD11  LEU  30          HD11      LEU  30   5.139  -0.863  -5.427
  218   HD12  LEU  30          HD12      LEU  30   3.640   0.065  -5.428
  219   HD13  LEU  30          HD13      LEU  30   4.220  -0.667  -3.934
  220   HD21  LEU  30          HD21      LEU  30   3.474   2.201  -4.455
  221   HD22  LEU  30          HD22      LEU  30   4.876   3.055  -3.809
  222   HD23  LEU  30          HD23      LEU  30   4.127   1.757  -2.878
  223    H    VAL  31           H        VAL  31   8.337   1.565  -6.745
  224    HA   VAL  31           HA       VAL  31   7.024  -0.419  -8.245
  225    HB   VAL  31           HB       VAL  31   8.242   1.683  -9.095
  226   HG11  VAL  31          HG11      VAL  31  10.417   0.919  -7.962
  227   HG12  VAL  31          HG12      VAL  31  10.558   1.518  -9.615
  228   HG13  VAL  31          HG13      VAL  31  10.583  -0.218  -9.301
  229   HG21  VAL  31          HG21      VAL  31   8.643   0.672 -11.288
  230   HG22  VAL  31          HG22      VAL  31   7.206  -0.050 -10.563
  231   HG23  VAL  31          HG23      VAL  31   8.734  -0.931 -10.558
  232    H    ASP  32           H        ASP  32  10.228  -0.483  -6.744
  233    HA   ASP  32           HA       ASP  32  11.130  -2.953  -7.834
  234    HB2  ASP  32           HB3      ASP  32  11.628  -1.711  -5.108
  235    HB3  ASP  32           HB2      ASP  32  12.501  -3.114  -5.727
  236    H    ASN  33           H        ASN  33   8.989  -2.177  -5.155
  237    HA   ASN  33           HA       ASN  33   8.636  -5.000  -4.423
  238    HB2  ASN  33           HB3      ASN  33   7.169  -2.534  -3.470
  239    HB3  ASN  33           HB2      ASN  33   7.073  -4.137  -2.745
  240   HD21  ASN  33          HD22      ASN  33   8.356  -1.311  -1.999
  241   HD22  ASN  33          HD21      ASN  33   9.851  -1.770  -1.341
  242    H    GLY  34           H        GLY  34   7.809  -3.574  -7.073
  243    HA2  GLY  34           HA3      GLY  34   5.084  -3.399  -7.465
  244    HA3  GLY  34           HA2      GLY  34   6.156  -4.122  -8.666
  245    H    VAL  35           H        VAL  35   6.791  -6.134  -6.342
  246    HA   VAL  35           HA       VAL  35   5.295  -8.320  -7.288
  247    HB   VAL  35           HB       VAL  35   6.453  -7.784  -4.538
  248   HG11  VAL  35          HG11      VAL  35   6.281 -10.520  -4.814
  249   HG12  VAL  35          HG12      VAL  35   4.762  -9.980  -5.528
  250   HG13  VAL  35          HG13      VAL  35   5.167  -9.531  -3.871
  251   HG21  VAL  35          HG21      VAL  35   7.833  -8.075  -6.778
  252   HG22  VAL  35          HG22      VAL  35   7.469  -9.783  -6.532
  253   HG23  VAL  35          HG23      VAL  35   8.357  -8.884  -5.301
  254    H    ILE  36           H        ILE  36   4.479  -5.910  -4.849
  255    HA   ILE  36           HA       ILE  36   2.095  -7.215  -3.895
  256    HB   ILE  36           HB       ILE  36   3.474  -5.224  -2.879
  257   HG12  ILE  36          HG13      ILE  36   0.443  -5.365  -2.883
  258   HG13  ILE  36          HG12      ILE  36   1.537  -6.195  -1.781
  259   HG21  ILE  36          HG21      ILE  36   2.795  -3.052  -3.499
  260   HG22  ILE  36          HG22      ILE  36   1.346  -3.641  -4.314
  261   HG23  ILE  36          HG23      ILE  36   2.932  -3.887  -5.047
  262   HD11  ILE  36          HD11      ILE  36   1.215  -4.402  -0.424
  263   HD12  ILE  36          HD12      ILE  36   0.605  -3.404  -1.743
  264   HD13  ILE  36          HD13      ILE  36   2.343  -3.583  -1.505
  265    H    ASP  37           H        ASP  37   2.810  -5.274  -6.667
  266    HA   ASP  37           HA       ASP  37   0.328  -4.109  -7.247
  267    HB2  ASP  37           HB3      ASP  37   2.379  -5.247  -9.156
  268    HB3  ASP  37           HB2      ASP  37   1.036  -4.216  -9.640
  269    H    SER  38           H        SER  38   1.323  -7.477  -7.856
  270    HA   SER  38           HA       SER  38  -1.434  -7.954  -8.914
  271    HB2  SER  38           2HB      SER  38   1.106  -9.511  -9.411
  272    HB3  SER  38           1HB      SER  38  -0.482  -9.942 -10.036
  273    H    LEU  39           H        LEU  39   1.080  -9.944  -7.315
  274    HA   LEU  39           HA       LEU  39  -0.814 -11.767  -6.229
  275    HB2  LEU  39           HB3      LEU  39   1.638 -12.210  -6.484
  276    HB3  LEU  39           HB2      LEU  39   1.921 -11.130  -5.124
  277    HG   LEU  39           HG       LEU  39  -0.107 -13.221  -4.638
  278   HD11  LEU  39          HD11      LEU  39   2.791 -13.852  -5.212
  279   HD12  LEU  39          HD12      LEU  39   1.353 -14.654  -5.846
  280   HD13  LEU  39          HD13      LEU  39   1.811 -14.870  -4.156
  281   HD21  LEU  39          HD21      LEU  39   1.167 -13.353  -2.497
  282   HD22  LEU  39          HD22      LEU  39   0.665 -11.705  -2.872
  283   HD23  LEU  39          HD23      LEU  39   2.334 -12.203  -3.148
  284    H    GLY  40           H        GLY  40   0.931  -9.102  -4.632
  285    HA2  GLY  40           HA3      GLY  40  -0.557  -9.380  -2.174
  286    HA3  GLY  40           HA2      GLY  40   0.446  -8.005  -2.613
  287    H    LEU  41           H        LEU  41  -0.896  -7.328  -5.048
  288    HA   LEU  41           HA       LEU  41  -2.936  -5.616  -4.059
  289    HB2  LEU  41           HB3      LEU  41  -1.733  -5.327  -6.237
  290    HB3  LEU  41           HB2      LEU  41  -2.671  -6.670  -6.889
  291    HG   LEU  41           HG       LEU  41  -4.729  -5.265  -6.035
  292   HD11  LEU  41          HD11      LEU  41  -4.252  -2.812  -6.274
  293   HD12  LEU  41          HD12      LEU  41  -2.532  -3.197  -6.298
  294   HD13  LEU  41          HD13      LEU  41  -3.494  -3.545  -4.861
  295   HD21  LEU  41          HD21      LEU  41  -4.169  -5.810  -8.404
  296   HD22  LEU  41          HD22      LEU  41  -3.128  -4.387  -8.456
  297   HD23  LEU  41          HD23      LEU  41  -4.866  -4.201  -8.225
  298    H    LEU  42           H        LEU  42  -3.152  -8.817  -5.593
  299    HA   LEU  42           HA       LEU  42  -6.004  -8.924  -5.703
  300    HB2  LEU  42           HB3      LEU  42  -4.433 -10.538  -6.835
  301    HB3  LEU  42           HB2      LEU  42  -4.119 -11.255  -5.261
  302    HG   LEU  42           HG       LEU  42  -6.738 -11.421  -5.125
  303   HD11  LEU  42          HD11      LEU  42  -7.916 -11.221  -7.070
  304   HD12  LEU  42          HD12      LEU  42  -6.594 -11.856  -8.050
  305   HD13  LEU  42          HD13      LEU  42  -6.573 -10.173  -7.526
  306   HD21  LEU  42          HD21      LEU  42  -5.755 -13.498  -5.084
  307   HD22  LEU  42          HD22      LEU  42  -4.711 -13.144  -6.461
  308   HD23  LEU  42          HD23      LEU  42  -6.401 -13.574  -6.723
  309    H    LYS  43           H        LYS  43  -3.701  -9.946  -3.182
  310    HA   LYS  43           HA       LYS  43  -5.713 -10.909  -1.369
  311    HB2  LYS  43           HB3      LYS  43  -2.900  -9.917  -0.879
  312    HB3  LYS  43           HB2      LYS  43  -3.892 -10.732   0.324
  313    HG2  LYS  43           HG3      LYS  43  -4.089 -12.685  -1.218
  314    HG3  LYS  43           HG2      LYS  43  -2.985 -11.876  -2.331
  315    HD2  LYS  43           HD3      LYS  43  -1.277 -11.791  -0.509
  316    HD3  LYS  43           HD2      LYS  43  -2.372 -12.720   0.516
  317    HE2  LYS  43           HE3      LYS  43  -2.409 -14.487  -1.303
  318    HE3  LYS  43           HE2      LYS  43  -1.102 -13.600  -2.087
  319    HZ1  LYS  43           HZ1      LYS  43  -0.799 -14.224   0.749
  320    HZ2  LYS  43           HZ2      LYS  43   0.372 -14.153  -0.476
  321    HZ3  LYS  43           HZ3      LYS  43  -0.644 -15.509  -0.351
  322    H    VAL  44           H        VAL  44  -4.102  -7.776  -1.789
  323    HA   VAL  44           HA       VAL  44  -5.225  -6.517   0.526
  324    HB   VAL  44           HB       VAL  44  -4.285  -5.343  -2.103
  325   HG11  VAL  44          HG11      VAL  44  -5.027  -4.058   0.537
  326   HG12  VAL  44          HG12      VAL  44  -5.735  -3.738  -1.046
  327   HG13  VAL  44          HG13      VAL  44  -4.077  -3.241  -0.704
  328   HG21  VAL  44          HG21      VAL  44  -2.206  -5.627  -1.278
  329   HG22  VAL  44          HG22      VAL  44  -2.907  -6.563   0.043
  330   HG23  VAL  44          HG23      VAL  44  -2.655  -4.826   0.228
  331    H    ILE  45           H        ILE  45  -6.300  -6.609  -2.869
  332    HA   ILE  45           HA       ILE  45  -8.580  -4.937  -2.538
  333    HB   ILE  45           HB       ILE  45  -7.614  -6.913  -4.526
  334   HG12  ILE  45          HG13      ILE  45  -8.022  -5.088  -6.044
  335   HG13  ILE  45          HG12      ILE  45  -9.028  -4.255  -4.860
  336   HG21  ILE  45          HG21      ILE  45  -9.808  -7.825  -4.341
  337   HG22  ILE  45          HG22      ILE  45  -9.864  -6.734  -5.725
  338   HG23  ILE  45          HG23      ILE  45 -10.538  -6.227  -4.177
  339   HD11  ILE  45          HD11      ILE  45  -7.225  -3.489  -3.665
  340   HD12  ILE  45          HD12      ILE  45  -6.426  -3.656  -5.228
  341   HD13  ILE  45          HD13      ILE  45  -6.256  -4.920  -4.012
  342    H    ALA  46           H        ALA  46  -8.285  -8.494  -2.408
  343    HA   ALA  46           HA       ALA  46 -11.032  -8.990  -1.787
  344    HB1  ALA  46           HB1      ALA  46  -9.968 -11.140  -0.733
  345    HB2  ALA  46           HB2      ALA  46  -8.467 -10.519  -1.423
  346    HB3  ALA  46           HB3      ALA  46  -9.836 -10.885  -2.474
  347    H    TRP  47           H        TRP  47  -8.187  -8.515   0.307
  348    HA   TRP  47           HA       TRP  47  -9.680  -8.897   2.759
  349    HB2  TRP  47           HB3      TRP  47  -7.417  -9.239   3.108
  350    HB3  TRP  47           HB2      TRP  47  -6.946  -7.930   2.025
  351    HD1  TRP  47           HD1      TRP  47  -8.197  -8.577   5.585
  352    HE1  TRP  47           HE1      TRP  47  -7.714  -6.484   7.014
  353    HE3  TRP  47           HE3      TRP  47  -6.568  -5.388   1.952
  354    HZ2  TRP  47           HZ2      TRP  47  -6.756  -3.808   6.656
  355    HZ3  TRP  47           HZ3      TRP  47  -5.874  -3.081   2.516
  356    HH2  TRP  47           HH2      TRP  47  -5.966  -2.288   4.858
  357    H    LEU  48           H        LEU  48  -8.638  -6.050   0.902
  358    HA   LEU  48           HA       LEU  48  -9.515  -4.075   2.738
  359    HB2  LEU  48           HB3      LEU  48  -8.124  -3.675   0.679
  360    HB3  LEU  48           HB2      LEU  48  -9.573  -3.900  -0.285
  361    HG   LEU  48           HG       LEU  48 -10.586  -2.073   1.280
  362   HD11  LEU  48          HD11      LEU  48  -7.871  -0.932   1.383
  363   HD12  LEU  48          HD12      LEU  48  -8.138  -2.292   2.470
  364   HD13  LEU  48          HD13      LEU  48  -9.164  -0.863   2.579
  365   HD21  LEU  48          HD21      LEU  48  -9.101  -0.375  -0.248
  366   HD22  LEU  48          HD22      LEU  48 -10.472  -1.296  -0.868
  367   HD23  LEU  48          HD23      LEU  48  -8.830  -1.897  -1.098
  368    H    GLU  49           H        GLU  49 -11.256  -5.649   0.045
  369    HA   GLU  49           HA       GLU  49 -13.718  -4.226   0.473
  370    HB2  GLU  49           HB3      GLU  49 -13.265  -5.417  -1.627
  371    HB3  GLU  49           HB2      GLU  49 -13.222  -6.950  -0.770
  372    HG2  GLU  49           HG3      GLU  49 -15.573  -6.616  -0.086
  373    HG3  GLU  49           HG2      GLU  49 -15.611  -5.114  -0.998
  374    H    ASP  50           H        ASP  50 -12.438  -7.292   1.694
  375    HA   ASP  50           HA       ASP  50 -14.795  -8.100   3.099
  376    HB2  ASP  50           HB3      ASP  50 -12.808  -9.551   2.563
  377    HB3  ASP  50           HB2      ASP  50 -11.935  -8.711   3.843
  378    H    ARG  51           H        ARG  51 -12.042  -6.081   4.038
  379    HA   ARG  51           HA       ARG  51 -13.023  -5.860   6.792
  380    HB2  ARG  51           HB3      ARG  51 -10.594  -5.916   6.248
  381    HB3  ARG  51           HB2      ARG  51 -10.771  -4.358   5.440
  382    HG2  ARG  51           HG3      ARG  51 -11.597  -3.366   7.553
  383    HG3  ARG  51           HG2      ARG  51 -11.376  -4.919   8.359
  384    HD2  ARG  51           HD3      ARG  51  -8.952  -4.838   7.745
  385    HD3  ARG  51           HD2      ARG  51  -9.210  -3.223   7.086
  386    HE   ARG  51           HE       ARG  51 -10.169  -2.959   9.635
  387   HH11  ARG  51          HH22      ARG  51  -7.305  -4.304   8.266
  388   HH12  ARG  51          HH21      ARG  51  -6.316  -3.935   9.639
  389   HH21  ARG  51          HH11      ARG  51  -8.894  -2.469  11.436
  390   HH22  ARG  51          HH12      ARG  51  -7.215  -2.896  11.434
  391    H    PHE  52           H        PHE  52 -12.585  -3.514   4.083
  392    HA   PHE  52           HA       PHE  52 -14.189  -1.582   5.653
  393    HB2  PHE  52           HB3      PHE  52 -12.586  -1.299   3.103
  394    HB3  PHE  52           HB2      PHE  52 -13.482   0.012   3.864
  395    HD1  PHE  52           HD2      PHE  52 -12.855   0.803   6.151
  396    HD2  PHE  52           HD1      PHE  52 -10.498  -2.072   3.998
  397    HE1  PHE  52           HE2      PHE  52 -10.951   1.214   7.686
  398    HE2  PHE  52           HE1      PHE  52  -8.594  -1.661   5.534
  399    HZ   PHE  52           HZ       PHE  52  -8.821  -0.018   7.378
  400    H    GLY  53           H        GLY  53 -14.821  -3.937   3.333
  401    HA2  GLY  53           HA3      GLY  53 -16.798  -4.327   2.095
  402    HA3  GLY  53           HA2      GLY  53 -17.502  -2.937   2.921
  403    H    ILE  54           H        ILE  54 -14.488  -2.670   1.157
  404    HA   ILE  54           HA       ILE  54 -15.817  -0.741  -0.668
  405    HB   ILE  54           HB       ILE  54 -12.875  -1.361  -0.263
  406   HG12  ILE  54          HG13      ILE  54 -14.471   1.028   0.698
  407   HG13  ILE  54          HG12      ILE  54 -14.143  -0.378   1.711
  408   HG21  ILE  54          HG21      ILE  54 -13.102  -0.391  -2.413
  409   HG22  ILE  54          HG22      ILE  54 -12.722   0.972  -1.360
  410   HG23  ILE  54          HG23      ILE  54 -14.385   0.695  -1.879
  411   HD11  ILE  54          HD11      ILE  54 -12.467   1.391   2.097
  412   HD12  ILE  54          HD12      ILE  54 -12.045   1.365   0.384
  413   HD13  ILE  54          HD13      ILE  54 -11.720  -0.044   1.394
  414    H    ALA  55           H        ALA  55 -15.959  -1.077  -2.866
  415    HA   ALA  55           HA       ALA  55 -15.876  -3.733  -3.890
  416    HB1  ALA  55           HB1      ALA  55 -16.221  -1.006  -5.043
  417    HB2  ALA  55           HB2      ALA  55 -17.252  -2.429  -5.193
  418    HB3  ALA  55           HB3      ALA  55 -15.783  -2.299  -6.160
  419    H    ALA  56           H        ALA  56 -14.400  -4.695  -5.381
  420    HA   ALA  56           HA       ALA  56 -11.650  -4.337  -4.798
  421    HB1  ALA  56           HB1      ALA  56 -12.216  -6.431  -5.711
  422    HB2  ALA  56           HB2      ALA  56 -11.374  -5.635  -7.041
  423    HB3  ALA  56           HB3      ALA  56 -13.136  -5.709  -7.031
  424    H    ASP  57           H        ASP  57 -13.697  -2.858  -7.251
  425    HA   ASP  57           HA       ASP  57 -13.236  -1.173  -8.818
  426    HB2  ASP  57           HB3      ASP  57 -11.086  -0.574  -6.777
  427    HB3  ASP  57           HB2      ASP  57 -11.532   0.503  -8.098
  428    H    ASP  58           H        ASP  58 -12.215  -3.655  -9.516
  429    HA   ASP  58           HA       ASP  58  -9.420  -3.220 -10.388
  430    HB2  ASP  58           HB3      ASP  58 -11.258  -5.611 -10.575
  431    HB3  ASP  58           HB2      ASP  58  -9.609  -5.588 -11.194
  432    H    VAL  59           H        VAL  59 -12.034  -1.941 -11.522
  433    HA   VAL  59           HA       VAL  59 -12.515  -2.899 -14.127
  434    HB   VAL  59           HB       VAL  59 -12.562  -0.085 -13.039
  435   HG11  VAL  59          HG11      VAL  59 -13.207  -1.186 -15.756
  436   HG12  VAL  59          HG12      VAL  59 -12.413   0.330 -15.330
  437   HG13  VAL  59          HG13      VAL  59 -14.156   0.158 -15.121
  438   HG21  VAL  59          HG21      VAL  59 -14.210  -1.473 -11.988
  439   HG22  VAL  59          HG22      VAL  59 -14.641  -2.231 -13.521
  440   HG23  VAL  59          HG23      VAL  59 -15.065  -0.546 -13.220
  441    H    GLU  60           H        GLU  60 -10.037  -0.588 -13.020
  442    HA   GLU  60           HA       GLU  60  -8.468  -1.271 -15.445
  443    HB2  GLU  60           HB3      GLU  60  -9.779   0.799 -15.956
  444    HB3  GLU  60           HB2      GLU  60  -8.992   1.591 -14.596
  445    HG2  GLU  60           HG3      GLU  60  -6.790   1.123 -15.647
  446    HG3  GLU  60           HG2      GLU  60  -7.630   0.449 -17.039
  447    H    LEU  61           H        LEU  61  -6.444  -1.771 -14.779
  448    HA   LEU  61           HA       LEU  61  -5.340  -0.339 -12.404
  449    HB2  LEU  61           HB3      LEU  61  -4.846  -3.255 -13.048
  450    HB3  LEU  61           HB2      LEU  61  -4.349  -2.384 -11.599
  451    HG   LEU  61           HG       LEU  61  -7.020  -1.906 -11.560
  452   HD11  LEU  61          HD11      LEU  61  -8.135  -4.078 -12.075
  453   HD12  LEU  61          HD12      LEU  61  -6.625  -4.658 -12.774
  454   HD13  LEU  61          HD13      LEU  61  -7.475  -3.300 -13.512
  455   HD21  LEU  61          HD21      LEU  61  -7.098  -3.913  -9.971
  456   HD22  LEU  61          HD22      LEU  61  -5.858  -2.705  -9.633
  457   HD23  LEU  61          HD23      LEU  61  -5.424  -4.215 -10.435
  458    H    SER  62           H        SER  62  -3.188   0.316 -12.639
  459    HA   SER  62           HA       SER  62  -1.667  -0.729 -14.950
  460    HB2  SER  62           HB3      SER  62  -2.991   1.789 -14.985
  461    HB3  SER  62           HB2      SER  62  -1.264   2.110 -14.853
  462    HG   SER  62           HG       SER  62  -1.385   1.772 -16.946
  463    HA   PRO  63           HA       PRO  63   1.701  -0.538 -12.090
  464    HB2  PRO  63           HB2      PRO  63   3.771   0.101 -13.824
  465    HB3  PRO  63           HB3      PRO  63   3.121  -1.529 -13.583
  466    HG2  PRO  63           HG3      PRO  63   2.603   0.414 -15.763
  467    HG3  PRO  63           HG2      PRO  63   2.716  -1.353 -15.822
  468    HD2  PRO  63           HD3      PRO  63   0.332  -0.037 -15.904
  469    HD3  PRO  63           HD2      PRO  63   0.510  -1.652 -15.183
  470    H    GLU  64           H        GLU  64   1.082   2.192 -14.187
  471    HA   GLU  64           HA       GLU  64   2.961   4.043 -13.135
  472    HB2  GLU  64           HB3      GLU  64   0.194   4.513 -14.244
  473    HB3  GLU  64           HB2      GLU  64   1.378   5.780 -13.957
  474    HG2  GLU  64           HG3      GLU  64   2.946   4.625 -15.485
  475    HG3  GLU  64           HG2      GLU  64   1.705   3.422 -15.816
  476    H    HIS  65           H        HIS  65  -0.171   2.980 -11.937
  477    HA   HIS  65           HA       HIS  65  -0.418   5.062  -9.938
  478    HB2  HIS  65           HB3      HIS  65  -2.358   3.780 -10.804
  479    HB3  HIS  65           HB2      HIS  65  -1.722   2.328 -10.031
  480    HD1  HIS  65           HD1      HIS  65  -2.491   5.913  -8.934
  481    HD2  HIS  65           HD2      HIS  65  -2.808   2.001  -7.520
  482    HE1  HIS  65           HE1      HIS  65  -3.577   6.061  -6.650
  483    HE2  HIS  65           HE2      HIS  65  -3.777   3.687  -5.781
  484    H    PHE  66           H        PHE  66   1.210   1.962 -10.027
  485    HA   PHE  66           HA       PHE  66   1.564   1.994  -7.085
  486    HB2  PHE  66           HB3      PHE  66   2.430  -0.016  -9.182
  487    HB3  PHE  66           HB2      PHE  66   2.625  -0.220  -7.442
  488    HD1  PHE  66           HD1      PHE  66   0.582  -0.269  -5.961
  489    HD2  PHE  66           HD2      PHE  66   0.335  -0.413 -10.247
  490    HE1  PHE  66           HE1      PHE  66  -1.744  -1.113  -5.798
  491    HE2  PHE  66           HE2      PHE  66  -1.991  -1.259 -10.084
  492    HZ   PHE  66           HZ       PHE  66  -3.031  -1.608  -7.861
  493    H    ARG  67           H        ARG  67   3.054   3.614  -9.469
  494    HA   ARG  67           HA       ARG  67   5.812   2.973  -9.206
  495    HB2  ARG  67           HB3      ARG  67   4.479   5.631  -9.786
  496    HB3  ARG  67           HB2      ARG  67   6.205   5.329  -9.960
  497    HG2  ARG  67           HG3      ARG  67   4.206   3.553 -11.319
  498    HG3  ARG  67           HG2      ARG  67   4.690   5.076 -12.060
  499    HD2  ARG  67           HD3      ARG  67   7.098   4.311 -11.796
  500    HD3  ARG  67           HD2      ARG  67   6.468   2.729 -11.338
  501    HE   ARG  67           HE       ARG  67   5.354   3.665 -13.852
  502   HH11  ARG  67          HH22      ARG  67   8.033   2.179 -12.271
  503   HH12  ARG  67          HH21      ARG  67   8.556   1.317 -13.679
  504   HH21  ARG  67          HH11      ARG  67   6.022   2.548 -15.700
  505   HH22  ARG  67          HH12      ARG  67   7.418   1.526 -15.620
  506    H    SER  68           H        SER  68   3.745   5.076  -7.205
  507    HA   SER  68           HA       SER  68   5.912   5.016  -5.168
  508    HB2  SER  68           HB3      SER  68   5.778   7.404  -4.782
  509    HB3  SER  68           HB2      SER  68   6.108   7.138  -6.491
  510    HG   SER  68           HG       SER  68   3.463   7.340  -5.541
  511    H    ILE  69           H        ILE  69   5.157   5.396  -3.006
  512    HA   ILE  69           HA       ILE  69   2.570   4.323  -2.429
  513    HB   ILE  69           HB       ILE  69   4.456   5.914  -0.666
  514   HG12  ILE  69          HG13      ILE  69   4.117   2.924  -0.920
  515   HG13  ILE  69          HG12      ILE  69   5.389   3.831  -1.725
  516   HG21  ILE  69          HG21      ILE  69   2.184   4.038  -0.012
  517   HG22  ILE  69          HG22      ILE  69   2.192   5.782   0.248
  518   HG23  ILE  69          HG23      ILE  69   3.287   4.746   1.164
  519   HD11  ILE  69          HD11      ILE  69   5.652   2.748   0.760
  520   HD12  ILE  69          HD12      ILE  69   5.106   4.376   1.164
  521   HD13  ILE  69          HD13      ILE  69   6.565   4.149   0.201
  522    H    ARG  70           H        ARG  70   3.820   7.630  -2.630
  523    HA   ARG  70           HA       ARG  70   1.618   8.973  -1.443
  524    HB2  ARG  70           HB3      ARG  70   3.472   9.883  -3.663
  525    HB3  ARG  70           HB2      ARG  70   2.388  10.944  -2.761
  526    HG2  ARG  70           HG3      ARG  70   3.518  10.227  -0.649
  527    HG3  ARG  70           HG2      ARG  70   4.663   9.300  -1.617
  528    HD2  ARG  70           HD3      ARG  70   4.219  12.296  -1.753
  529    HD3  ARG  70           HD2      ARG  70   5.629  11.480  -1.078
  530    HE   ARG  70           HE       ARG  70   5.138  10.748  -3.852
  531   HH11  ARG  70          HH22      ARG  70   6.499  13.042  -1.668
  532   HH12  ARG  70          HH21      ARG  70   7.676  13.621  -2.800
  533   HH21  ARG  70          HH11      ARG  70   6.666  11.490  -5.343
  534   HH22  ARG  70          HH12      ARG  70   7.770  12.742  -4.881
  535    H    SER  71           H        SER  71   2.092   7.864  -4.798
  536    HA   SER  71           HA       SER  71  -0.157   9.182  -5.933
  537    HB2  SER  71           HB3      SER  71   1.613   7.899  -7.201
  538    HB3  SER  71           HB2      SER  71   0.837   6.412  -6.664
  539    HG   SER  71           HG       SER  71  -0.016   8.345  -8.485
  540    H    ILE  72           H        ILE  72   0.088   5.977  -4.388
  541    HA   ILE  72           HA       ILE  72  -2.698   5.341  -4.667
  542    HB   ILE  72           HB       ILE  72  -0.650   4.329  -2.671
  543   HG12  ILE  72          HG13      ILE  72  -1.549   3.168  -5.328
  544   HG13  ILE  72          HG12      ILE  72  -0.032   4.034  -5.081
  545   HG21  ILE  72          HG21      ILE  72  -3.347   3.287  -3.561
  546   HG22  ILE  72          HG22      ILE  72  -2.890   3.804  -1.939
  547   HG23  ILE  72          HG23      ILE  72  -2.187   2.342  -2.629
  548   HD11  ILE  72          HD11      ILE  72  -0.264   2.042  -3.040
  549   HD12  ILE  72          HD12      ILE  72   0.934   2.148  -4.330
  550   HD13  ILE  72          HD13      ILE  72  -0.575   1.275  -4.597
  551    H    ASP  73           H        ASP  73  -0.776   6.909  -2.137
  552    HA   ASP  73           HA       ASP  73  -2.673   6.967  -0.062
  553    HB2  ASP  73           HB3      ASP  73  -0.632   9.060  -0.862
  554    HB3  ASP  73           HB2      ASP  73  -1.480   9.028   0.682
  555    H    ALA  74           H        ALA  74  -2.301   9.205  -2.819
  556    HA   ALA  74           HA       ALA  74  -4.361  11.008  -1.958
  557    HB1  ALA  74           HB1      ALA  74  -4.422  11.456  -4.564
  558    HB2  ALA  74           HB2      ALA  74  -2.969  10.456  -4.555
  559    HB3  ALA  74           HB3      ALA  74  -3.020  11.945  -3.612
  560    H    PHE  75           H        PHE  75  -4.414   8.232  -4.192
  561    HA   PHE  75           HA       PHE  75  -7.194   8.448  -4.835
  562    HB2  PHE  75           HB3      PHE  75  -5.556   7.047  -6.094
  563    HB3  PHE  75           HB2      PHE  75  -5.515   5.936  -4.727
  564    HD1  PHE  75           HD2      PHE  75  -7.652   7.356  -7.398
  565    HD2  PHE  75           HD1      PHE  75  -7.335   4.422  -4.276
  566    HE1  PHE  75           HE2      PHE  75  -9.691   6.230  -8.248
  567    HE2  PHE  75           HE1      PHE  75  -9.374   3.297  -5.127
  568    HZ   PHE  75           HZ       PHE  75 -10.552   4.201  -7.113
  569    H    VAL  76           H        VAL  76  -5.486   6.536  -2.355
  570    HA   VAL  76           HA       VAL  76  -7.848   5.349  -1.259
  571    HB   VAL  76           HB       VAL  76  -5.100   5.877  -0.103
  572   HG11  VAL  76          HG11      VAL  76  -7.484   4.406   1.031
  573   HG12  VAL  76          HG12      VAL  76  -6.582   5.730   1.768
  574   HG13  VAL  76          HG13      VAL  76  -5.836   4.141   1.599
  575   HG21  VAL  76          HG21      VAL  76  -6.487   3.416  -1.213
  576   HG22  VAL  76          HG22      VAL  76  -4.906   3.400  -0.433
  577   HG23  VAL  76          HG23      VAL  76  -5.134   4.278  -1.946
  578    H    VAL  77           H        VAL  77  -5.983   8.263  -0.328
  579    HA   VAL  77           HA       VAL  77  -7.573   8.928   1.940
  580    HB   VAL  77           HB       VAL  77  -5.903  10.606   0.056
  581   HG11  VAL  77          HG11      VAL  77  -7.501  12.124   0.959
  582   HG12  VAL  77          HG12      VAL  77  -6.058  12.303   1.957
  583   HG13  VAL  77          HG13      VAL  77  -7.430  11.365   2.549
  584   HG21  VAL  77          HG21      VAL  77  -4.239  10.469   1.740
  585   HG22  VAL  77          HG22      VAL  77  -4.907   8.838   1.668
  586   HG23  VAL  77          HG23      VAL  77  -5.397   9.935   2.958
  587    H    GLY  78           H        GLY  78  -7.876   9.793  -1.490
  588    HA2  GLY  78           HA3      GLY  78  -9.983  11.666  -1.253
  589    HA3  GLY  78           HA2      GLY  78  -9.695  10.667  -2.676
  590    H    ALA  79           H        ALA  79 -10.068   8.124  -1.225
  591    HA   ALA  79           HA       ALA  79 -13.036   8.245  -1.061
  592    HB1  ALA  79           HB1      ALA  79 -12.346   6.692  -2.724
  593    HB2  ALA  79           HB2      ALA  79 -12.815   5.714  -1.333
  594    HB3  ALA  79           HB3      ALA  79 -11.108   6.006  -1.671
  595    H    THR  80           H        THR  80 -10.286   6.650   0.578
  596    HA   THR  80           HA       THR  80 -11.915   6.716   3.082
  597    HB   THR  80           HB       THR  80 -10.130   4.438   2.215
  598    HG1  THR  80           HG1      THR  80 -11.821   3.781   1.196
  599   HG21  THR  80          HG21      THR  80 -11.403   5.211   4.726
  600   HG22  THR  80          HG22      THR  80 -10.162   3.994   4.427
  601   HG23  THR  80          HG23      THR  80 -11.865   3.590   4.207
  602    H    THR  81           H        THR  81 -10.793   7.364   4.895
  603    HA   THR  81           HA       THR  81  -7.837   7.677   4.627
  604    HB   THR  81           HB       THR  81  -8.671   9.888   4.378
  605    HG1  THR  81           HG1      THR  81  -7.244  10.342   5.842
  606   HG21  THR  81          HG21      THR  81 -10.727   8.916   6.290
  607   HG22  THR  81          HG22      THR  81 -10.900   9.975   4.890
  608   HG23  THR  81          HG23      THR  81 -10.284  10.619   6.412
  609    HA   PRO  82           HA       PRO  82  -8.806   5.160   8.387
  610    HB2  PRO  82           HB2      PRO  82  -6.069   4.173   7.908
  611    HB3  PRO  82           HB3      PRO  82  -7.578   3.260   8.074
  612    HG2  PRO  82           HG3      PRO  82  -6.297   3.535   5.727
  613    HG3  PRO  82           HG2      PRO  82  -8.059   3.392   5.850
  614    HD2  PRO  82           HD3      PRO  82  -6.397   5.829   5.341
  615    HD3  PRO  82           HD2      PRO  82  -8.002   5.402   4.705
  616    HA   PRO  83           HA       PRO  83  -6.432   7.210  11.514
  617    HB2  PRO  83           HB2      PRO  83  -4.894   4.836  12.364
  618    HB3  PRO  83           HB3      PRO  83  -6.082   5.789  13.269
  619    HG2  PRO  83           HG3      PRO  83  -6.593   3.307  12.372
  620    HG3  PRO  83           HG2      PRO  83  -7.845   4.552  12.522
  621    HD2  PRO  83           HD3      PRO  83  -6.480   3.539  10.060
  622    HD3  PRO  83           HD2      PRO  83  -8.153   4.100  10.276
  623    H    VAL  84           H        VAL  84  -4.421   8.269  11.855
  624    HA   VAL  84           HA       VAL  84  -2.281   7.516   9.907
  625    HB   VAL  84           HB       VAL  84  -2.793  10.182  11.259
  626   HG11  VAL  84          HG11      VAL  84  -0.642  10.532  10.638
  627   HG12  VAL  84          HG12      VAL  84  -1.263  10.578   8.988
  628   HG13  VAL  84          HG13      VAL  84  -0.607   9.077   9.642
  629   HG21  VAL  84          HG21      VAL  84  -3.474   9.109   8.508
  630   HG22  VAL  84          HG22      VAL  84  -3.441  10.833   8.881
  631   HG23  VAL  84          HG23      VAL  84  -4.582   9.774   9.709
  632    H    GLU  85           H        GLU  85  -0.310   6.938  10.694
  633    HA   GLU  85           HA       GLU  85   0.217   7.387  13.600
  634    HB2  GLU  85           HB3      GLU  85   1.050   5.025  11.889
  635    HB3  GLU  85           HB2      GLU  85   1.463   5.254  13.588
  636    HG2  GLU  85           HG3      GLU  85  -0.961   5.284  14.147
  637    HG3  GLU  85           HG2      GLU  85  -1.334   4.964  12.453
  638    H    ALA  86           H        ALA  86   2.449   7.814  14.143
  639    HA   ALA  86           HA       ALA  86   3.904   9.139  11.946
  640    HB1  ALA  86           HB1      ALA  86   5.523   9.553  14.016
  641    HB2  ALA  86           HB2      ALA  86   4.082   9.115  14.934
  642    HB3  ALA  86           HB3      ALA  86   4.039  10.487  13.827
  643    H    LYS  87           H        LYS  87   5.563   8.171  10.876
  644    HA   LYS  87           HA       LYS  87   6.304   5.460  11.315
  645    HB2  LYS  87           HB3      LYS  87   7.810   7.681   9.899
  646    HB3  LYS  87           HB2      LYS  87   8.224   5.970   9.796
  647    HG2  LYS  87           HG3      LYS  87   5.925   5.509   8.931
  648    HG3  LYS  87           HG2      LYS  87   5.616   7.246   8.924
  649    HD2  LYS  87           HD3      LYS  87   7.575   7.548   7.405
  650    HD3  LYS  87           HD2      LYS  87   7.758   5.795   7.343
  651    HE2  LYS  87           HE3      LYS  87   6.297   5.804   5.625
  652    HE3  LYS  87           HE2      LYS  87   5.050   6.231   6.795
  653    HZ1  LYS  87           HZ1      LYS  87   5.106   8.405   6.209
  654    HZ2  LYS  87           HZ2      LYS  87   5.593   7.745   4.725
  655    HZ3  LYS  87           HZ3      LYS  87   6.753   8.381   5.791
  656    H    LEU  88           H        LEU  88   7.693   8.485  12.509
  657    HA   LEU  88           HA       LEU  88  10.120   7.466  13.563
  658    HB2  LEU  88           HB3      LEU  88   9.508   9.891  13.448
  659    HB3  LEU  88           HB2      LEU  88   8.375   9.632  14.773
  660    HG   LEU  88           HG       LEU  88  10.300   8.759  16.149
  661   HD11  LEU  88          HD11      LEU  88  12.478   9.978  14.914
  662   HD12  LEU  88          HD12      LEU  88  11.649   9.164  13.587
  663   HD13  LEU  88          HD13      LEU  88  12.174   8.243  14.996
  664   HD21  LEU  88          HD21      LEU  88   9.467  11.087  16.350
  665   HD22  LEU  88          HD22      LEU  88  10.590  11.587  15.085
  666   HD23  LEU  88          HD23      LEU  88  11.207  10.995  16.628
  667    H    GLN  89           H        GLN  89   6.837   7.462  14.900
  668    HA   GLN  89           HA       GLN  89   7.786   5.502  16.939
  669    HB2  GLN  89           HB3      GLN  89   5.960   7.872  17.444
  670    HB3  GLN  89           HB2      GLN  89   6.278   6.585  18.607
  671    HG2  GLN  89           HG3      GLN  89   8.671   7.132  18.592
  672    HG3  GLN  89           HG2      GLN  89   8.389   8.390  17.387
  673   HE21  GLN  89          HE22      GLN  89   9.512   9.050  19.925
  674   HE22  GLN  89          HE21      GLN  89   8.382   9.969  20.797
  675    H1   PN7 101           3HO      SAT  38   1.977  -4.947 -11.202
  676    H2   PN7 101           1H1      SAT  38  -1.070  -6.029 -11.387
  677    H3   PN7 101           2H1      SAT  38  -2.200  -5.997 -12.741
  678    H5   PN7 101          3HE1      SAT  38  -0.190  -3.510 -11.433
  679    H6   PN7 101          1HE1      SAT  38  -1.822  -3.611 -12.094
  680    H7   PN7 101          2HE1      SAT  38  -0.565  -2.743 -12.975
  681    H8   PN7 101          2HE2      SAT  38  -0.295  -3.857 -14.956
  682    H9   PN7 101          3HE2      SAT  38  -1.825  -4.683 -14.660
  683    H10  PN7 101          1HE2      SAT  38  -0.390  -5.613 -15.091
  684    H11  PN7 101           3H       SAT  38   1.413  -5.883 -13.649
  685    H12  PN7 101           5H       SAT  38   2.341  -2.796 -11.572
  686    H13  PN7 101           2H6      SAT  38   4.623  -3.337 -11.446
  687    H14  PN7 101           1H6      SAT  38   4.557  -3.301 -13.208
  688    H15  PN7 101           1H7      SAT  38   5.322  -5.489 -12.669
  689    H16  PN7 101           2H7      SAT  38   3.613  -5.690 -13.054
  690    H17  PN7 101           9H       SAT  38   2.513  -6.937 -11.516
  691    H18  PN7 101          2H10      SAT  38   2.530  -7.754  -9.092
  692    H19  PN7 101          1H10      SAT  38   4.285  -7.614  -9.204
  693    H20  PN7 101          1H11      SAT  38   2.674  -9.366 -11.070
  694    H21  PN7 101          2H11      SAT  38   3.344  -9.960  -9.550
  695    H22  PN7 101          2HS1      SAT  38   5.276  -8.664 -11.626
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1  -1.676  14.900   0.639
    2    H2   MET   1           H2       MET   1  -0.759  15.252   2.026
    3    H3   MET   1           H3       MET   1  -2.441  15.493   2.032
    4    HA   MET   1           HA       MET   1  -2.624  13.009   1.564
    5    HB2  MET   1           HB3      MET   1   0.239  13.290   2.517
    6    HB3  MET   1           HB2      MET   1  -0.653  11.768   2.548
    7    HG2  MET   1           HG3      MET   1  -1.048  11.990   0.098
    8    HG3  MET   1           HG2      MET   1  -0.051  13.444   0.097
    9    HE1  MET   1           HE1      MET   1   2.346  12.370   2.386
   10    HE2  MET   1           HE2      MET   1   2.083  13.607   1.159
   11    HE3  MET   1           HE3      MET   1   3.395  12.435   0.972
   12    H    GLN   2           H        GLN   2  -3.795  12.245   3.258
   13    HA   GLN   2           HA       GLN   2  -3.438  13.600   5.890
   14    HB2  GLN   2           HB3      GLN   2  -5.742  11.937   4.817
   15    HB3  GLN   2           HB2      GLN   2  -5.706  12.734   6.391
   16    HG2  GLN   2           HG3      GLN   2  -5.390  14.923   5.227
   17    HG3  GLN   2           HG2      GLN   2  -5.573  14.089   3.683
   18   HE21  GLN   2          HE22      GLN   2  -7.542  12.400   5.735
   19   HE22  GLN   2          HE21      GLN   2  -8.999  13.237   5.493
   20    H    HIS   3           H        HIS   3  -2.683  12.420   7.620
   21    HA   HIS   3           HA       HIS   3  -1.745  10.586   8.756
   22    HB2  HIS   3           HB3      HIS   3  -3.908   9.030   7.309
   23    HB3  HIS   3           HB2      HIS   3  -3.116   8.593   8.822
   24    HD1  HIS   3           HD1      HIS   3  -3.458  10.484  10.814
   25    HD2  HIS   3           HD2      HIS   3  -6.227  10.490   7.693
   26    HE1  HIS   3           HE1      HIS   3  -5.478  11.770  11.648
   27    HE2  HIS   3           HE2      HIS   3  -7.168  11.779   9.756
   28    H    ALA   4           H        ALA   4  -0.616  11.279   6.189
   29    HA   ALA   4           HA       ALA   4  -0.211   9.045   4.480
   30    HB1  ALA   4           HB1      ALA   4   0.626  11.672   4.517
   31    HB2  ALA   4           HB2      ALA   4   1.160  10.456   3.357
   32    HB3  ALA   4           HB3      ALA   4   2.130  10.793   4.791
   33    H    SER   5           H        SER   5   1.368   9.975   7.502
   34    HA   SER   5           HA       SER   5   3.601   8.212   7.330
   35    HB2  SER   5           HB3      SER   5   3.792   8.486   9.730
   36    HB3  SER   5           HB2      SER   5   3.299  10.030   9.040
   37    HG   SER   5           HG       SER   5   1.541   8.076  10.122
   38    H    VAL   6           H        VAL   6   0.258   7.665   8.343
   39    HA   VAL   6           HA       VAL   6   0.691   5.045   9.441
   40    HB   VAL   6           HB       VAL   6  -1.762   6.345   8.255
   41   HG11  VAL   6          HG11      VAL   6  -2.084   3.975   8.013
   42   HG12  VAL   6          HG12      VAL   6  -2.966   4.458   9.461
   43   HG13  VAL   6          HG13      VAL   6  -1.400   3.661   9.609
   44   HG21  VAL   6          HG21      VAL   6  -1.894   5.696  11.051
   45   HG22  VAL   6          HG22      VAL   6  -1.956   7.287  10.293
   46   HG23  VAL   6          HG23      VAL   6  -0.402   6.584  10.742
   47    H    ILE   7           H        ILE   7  -0.089   6.208   6.194
   48    HA   ILE   7           HA       ILE   7  -0.550   3.686   4.978
   49    HB   ILE   7           HB       ILE   7   0.673   6.187   3.784
   50   HG12  ILE   7          HG13      ILE   7  -2.190   5.184   3.720
   51   HG13  ILE   7          HG12      ILE   7  -1.607   6.399   4.858
   52   HG21  ILE   7          HG21      ILE   7   0.050   3.530   2.706
   53   HG22  ILE   7          HG22      ILE   7   1.025   4.823   2.009
   54   HG23  ILE   7          HG23      ILE   7  -0.729   4.836   1.815
   55   HD11  ILE   7          HD11      ILE   7  -2.482   7.688   3.092
   56   HD12  ILE   7          HD12      ILE   7  -1.848   6.595   1.861
   57   HD13  ILE   7          HD13      ILE   7  -0.752   7.651   2.753
   58    H    ALA   8           H        ALA   8   2.485   5.506   5.416
   59    HA   ALA   8           HA       ALA   8   4.142   3.646   4.014
   60    HB1  ALA   8           HB1      ALA   8   4.656   6.051   4.989
   61    HB2  ALA   8           HB2      ALA   8   5.949   4.861   4.836
   62    HB3  ALA   8           HB3      ALA   8   5.182   5.134   6.401
   63    H    GLN   9           H        GLN   9   3.351   3.928   7.474
   64    HA   GLN   9           HA       GLN   9   4.835   1.563   8.196
   65    HB2  GLN   9           HB3      GLN   9   4.266   2.077  10.338
   66    HB3  GLN   9           HB2      GLN   9   3.756   3.606   9.631
   67    HG2  GLN   9           HG3      GLN   9   1.907   2.907  10.926
   68    HG3  GLN   9           HG2      GLN   9   1.472   2.476   9.279
   69   HE21  GLN   9          HE22      GLN   9   0.203   0.601   9.691
   70   HE22  GLN   9          HE21      GLN   9   0.807  -0.784  10.464
   71    H    PHE  10           H        PHE  10   1.528   2.196   7.208
   72    HA   PHE  10           HA       PHE  10   0.456  -0.387   7.830
   73    HB2  PHE  10           HB3      PHE  10  -0.888   1.657   7.267
   74    HB3  PHE  10           HB2      PHE  10  -0.355   1.495   5.596
   75    HD1  PHE  10           HD1      PHE  10  -2.215  -0.222   8.327
   76    HD2  PHE  10           HD2      PHE  10  -1.389  -0.046   4.116
   77    HE1  PHE  10           HE1      PHE  10  -4.059  -1.825   7.898
   78    HE2  PHE  10           HE2      PHE  10  -3.231  -1.650   3.687
   79    HZ   PHE  10           HZ       PHE  10  -4.567  -2.535   5.579
   80    H    VAL  11           H        VAL  11   1.742   0.945   4.783
   81    HA   VAL  11           HA       VAL  11   1.571  -1.564   3.365
   82    HB   VAL  11           HB       VAL  11   3.330   0.844   2.817
   83   HG11  VAL  11          HG11      VAL  11   2.404  -0.581   0.497
   84   HG12  VAL  11          HG12      VAL  11   3.191  -1.713   1.597
   85   HG13  VAL  11          HG13      VAL  11   4.063  -0.291   1.022
   86   HG21  VAL  11          HG21      VAL  11   1.544   1.732   1.536
   87   HG22  VAL  11          HG22      VAL  11   0.780   1.178   3.026
   88   HG23  VAL  11          HG23      VAL  11   0.660   0.206   1.558
   89    H    VAL  12           H        VAL  12   4.214   0.142   5.015
   90    HA   VAL  12           HA       VAL  12   6.264  -1.748   4.400
   91    HB   VAL  12           HB       VAL  12   6.010   0.134   6.749
   92   HG11  VAL  12          HG11      VAL  12   8.462  -1.204   5.571
   93   HG12  VAL  12          HG12      VAL  12   7.688  -1.679   7.078
   94   HG13  VAL  12          HG13      VAL  12   8.438  -0.092   6.939
   95   HG21  VAL  12          HG21      VAL  12   6.063   0.854   4.158
   96   HG22  VAL  12          HG22      VAL  12   7.794   0.644   4.420
   97   HG23  VAL  12          HG23      VAL  12   6.885   1.787   5.408
   98    H    GLU  13           H        GLU  13   3.874  -1.628   6.998
   99    HA   GLU  13           HA       GLU  13   4.974  -3.542   8.746
  100    HB2  GLU  13           HB3      GLU  13   2.914  -2.235   9.219
  101    HB3  GLU  13           HB2      GLU  13   2.053  -3.223   8.046
  102    HG2  GLU  13           HG3      GLU  13   2.638  -5.250   9.370
  103    HG3  GLU  13           HG2      GLU  13   3.391  -4.203  10.571
  104    H    GLU  14           H        GLU  14   3.302  -3.991   5.683
  105    HA   GLU  14           HA       GLU  14   2.873  -6.814   5.943
  106    HB2  GLU  14           HB3      GLU  14   1.793  -5.372   4.208
  107    HB3  GLU  14           HB2      GLU  14   3.352  -5.248   3.393
  108    HG2  GLU  14           HG3      GLU  14   3.420  -7.719   3.194
  109    HG3  GLU  14           HG2      GLU  14   1.825  -7.806   3.942
  110    H    PHE  15           H        PHE  15   5.670  -4.911   4.950
  111    HA   PHE  15           HA       PHE  15   7.254  -7.431   4.962
  112    HB2  PHE  15           HB3      PHE  15   8.412  -6.827   2.917
  113    HB3  PHE  15           HB2      PHE  15   6.678  -6.826   2.593
  114    HD1  PHE  15           HD2      PHE  15   5.420  -4.617   2.650
  115    HD2  PHE  15           HD1      PHE  15   9.710  -4.853   2.647
  116    HE1  PHE  15           HE2      PHE  15   5.551  -2.245   1.939
  117    HE2  PHE  15           HE1      PHE  15   9.840  -2.480   1.940
  118    HZ   PHE  15           HZ       PHE  15   7.760  -1.177   1.585
  119    H    LEU  16           H        LEU  16   7.143  -5.552   7.055
  120    HA   LEU  16           HA       LEU  16   9.358  -3.694   6.758
  121    HB2  LEU  16           HB3      LEU  16   8.692  -2.783   8.739
  122    HB3  LEU  16           HB2      LEU  16   7.205  -3.610   8.335
  123    HG   LEU  16           HG       LEU  16   9.377  -4.685  10.168
  124   HD11  LEU  16          HD11      LEU  16   7.160  -4.472  11.685
  125   HD12  LEU  16          HD12      LEU  16   6.886  -3.129  10.575
  126   HD13  LEU  16          HD13      LEU  16   8.356  -3.183  11.547
  127   HD21  LEU  16          HD21      LEU  16   8.283  -6.681  10.188
  128   HD22  LEU  16          HD22      LEU  16   7.520  -6.140   8.697
  129   HD23  LEU  16          HD23      LEU  16   6.703  -5.901  10.237
  130    HA   PRO  17           HA       PRO  17  12.367  -6.786   7.988
  131    HB2  PRO  17           HB2      PRO  17  14.567  -5.185   8.053
  132    HB3  PRO  17           HB3      PRO  17  13.813  -5.685   6.529
  133    HG2  PRO  17           HG3      PRO  17  13.581  -3.104   7.994
  134    HG3  PRO  17           HG2      PRO  17  13.733  -3.406   6.256
  135    HD2  PRO  17           HD3      PRO  17  11.344  -2.849   7.500
  136    HD3  PRO  17           HD2      PRO  17  11.484  -3.779   5.993
  137    H    ASP  18           H        ASP  18  14.614  -5.848   9.668
  138    HA   ASP  18           HA       ASP  18  13.258  -5.932  12.246
  139    HB2  ASP  18           HB3      ASP  18  15.522  -5.960  13.173
  140    HB3  ASP  18           HB2      ASP  18  15.424  -7.096  11.832
  141    H    VAL  19           H        VAL  19  13.313  -3.539  10.191
  142    HA   VAL  19           HA       VAL  19  14.060  -1.429  12.179
  143    HB   VAL  19           HB       VAL  19  13.757  -1.138   9.178
  144   HG11  VAL  19          HG11      VAL  19  15.276   0.652  11.073
  145   HG12  VAL  19          HG12      VAL  19  13.544   0.866  10.816
  146   HG13  VAL  19          HG13      VAL  19  14.662   1.022   9.461
  147   HG21  VAL  19          HG21      VAL  19  16.112  -1.850  10.915
  148   HG22  VAL  19          HG22      VAL  19  16.361  -0.927   9.433
  149   HG23  VAL  19          HG23      VAL  19  15.634  -2.532   9.360
  150    H    ALA  20           H        ALA  20  12.464  -0.003  12.819
  151    HA   ALA  20           HA       ALA  20   9.715  -0.633  12.186
  152    HB1  ALA  20           HB1      ALA  20  10.113   0.245  14.361
  153    HB2  ALA  20           HB2      ALA  20   9.289   1.536  13.488
  154    HB3  ALA  20           HB3      ALA  20  11.035   1.605  13.723
  155    HA   PRO  21           HA       PRO  21   9.320   1.691   8.363
  156    HB2  PRO  21           HB2      PRO  21   6.693   2.565   9.454
  157    HB3  PRO  21           HB3      PRO  21   7.075   1.802   7.900
  158    HG2  PRO  21           HG3      PRO  21   5.920   0.473   9.937
  159    HG3  PRO  21           HG2      PRO  21   6.989  -0.300   8.758
  160    HD2  PRO  21           HD3      PRO  21   7.497   0.318  11.604
  161    HD3  PRO  21           HD2      PRO  21   8.277  -0.873  10.539
  162    H    ALA  22           H        ALA  22   8.507   3.189  11.462
  163    HA   ALA  22           HA       ALA  22   8.537   5.912  10.552
  164    HB1  ALA  22           HB1      ALA  22   7.632   5.842  12.662
  165    HB2  ALA  22           HB2      ALA  22   9.303   6.156  13.132
  166    HB3  ALA  22           HB3      ALA  22   8.670   4.510  13.173
  167    H    ASP  23           H        ASP  23  11.040   3.628  11.345
  168    HA   ASP  23           HA       ASP  23  13.107   5.763  11.284
  169    HB2  ASP  23           HB3      ASP  23  13.261   2.814  11.979
  170    HB3  ASP  23           HB2      ASP  23  14.652   3.898  11.951
  171    H    VAL  24           H        VAL  24  11.453   4.033   9.101
  172    HA   VAL  24           HA       VAL  24  13.815   3.485   7.361
  173    HB   VAL  24           HB       VAL  24  10.927   2.613   7.018
  174   HG11  VAL  24          HG11      VAL  24  13.373   2.436   5.372
  175   HG12  VAL  24          HG12      VAL  24  11.681   2.330   4.888
  176   HG13  VAL  24          HG13      VAL  24  12.498   0.916   5.555
  177   HG21  VAL  24          HG21      VAL  24  13.188   0.755   7.671
  178   HG22  VAL  24          HG22      VAL  24  11.468   0.587   8.022
  179   HG23  VAL  24          HG23      VAL  24  12.460   1.688   8.978
  180    H    ASP  25           H        ASP  25  14.065   4.669   5.480
  181    HA   ASP  25           HA       ASP  25  12.665   7.161   5.239
  182    HB2  ASP  25           HB3      ASP  25  14.408   5.659   3.263
  183    HB3  ASP  25           HB2      ASP  25  13.839   7.312   3.026
  184    H    VAL  26           H        VAL  26  10.440   6.872   4.993
  185    HA   VAL  26           HA       VAL  26   9.198   4.941   3.294
  186    HB   VAL  26           HB       VAL  26   7.188   6.271   3.526
  187   HG11  VAL  26          HG11      VAL  26   7.096   6.507   5.939
  188   HG12  VAL  26          HG12      VAL  26   8.852   6.637   6.035
  189   HG13  VAL  26          HG13      VAL  26   8.106   5.111   5.562
  190   HG21  VAL  26          HG21      VAL  26   7.724   8.477   3.019
  191   HG22  VAL  26          HG22      VAL  26   9.183   8.458   4.010
  192   HG23  VAL  26          HG23      VAL  26   7.599   8.574   4.776
  193    H    ASP  27           H        ASP  27  11.319   7.213   2.337
  194    HA   ASP  27           HA       ASP  27   9.885   8.055  -0.111
  195    HB2  ASP  27           HB3      ASP  27  12.667   8.673   0.936
  196    HB3  ASP  27           HB2      ASP  27  12.007   9.315  -0.569
  197    H    LEU  28           H        LEU  28  11.145   5.270   0.772
  198    HA   LEU  28           HA       LEU  28  12.964   4.764  -1.484
  199    HB2  LEU  28           HB3      LEU  28  13.271   3.691   0.762
  200    HB3  LEU  28           HB2      LEU  28  11.767   2.812   0.503
  201    HG   LEU  28           HG       LEU  28  12.891   2.047  -1.735
  202   HD11  LEU  28          HD11      LEU  28  15.389   1.831  -1.426
  203   HD12  LEU  28          HD12      LEU  28  15.257   2.956  -0.075
  204   HD13  LEU  28          HD13      LEU  28  14.831   3.480  -1.704
  205   HD21  LEU  28          HD21      LEU  28  13.283   1.094   1.059
  206   HD22  LEU  28          HD22      LEU  28  14.295   0.353  -0.180
  207   HD23  LEU  28          HD23      LEU  28  12.538   0.276  -0.314
  208    H    ASP  29           H        ASP  29  12.340   3.911  -3.415
  209    HA   ASP  29           HA       ASP  29   9.534   3.630  -4.019
  210    HB2  ASP  29           HB3      ASP  29  12.020   2.796  -5.546
  211    HB3  ASP  29           HB2      ASP  29  10.386   2.705  -6.203
  212    H    LEU  30           H        LEU  30   8.297   1.888  -3.503
  213    HA   LEU  30           HA       LEU  30   9.469  -0.509  -2.401
  214    HB2  LEU  30           HB3      LEU  30   7.108  -1.381  -2.493
  215    HB3  LEU  30           HB2      LEU  30   7.248   0.177  -1.677
  216    HG   LEU  30           HG       LEU  30   6.879   0.478  -4.553
  217   HD11  LEU  30          HD11      LEU  30   5.543  -1.483  -4.530
  218   HD12  LEU  30          HD12      LEU  30   4.390  -0.161  -4.346
  219   HD13  LEU  30          HD13      LEU  30   4.878  -1.108  -2.940
  220   HD21  LEU  30          HD21      LEU  30   5.290   1.394  -2.135
  221   HD22  LEU  30          HD22      LEU  30   5.127   2.032  -3.771
  222   HD23  LEU  30          HD23      LEU  30   6.626   2.276  -2.875
  223    H    VAL  31           H        VAL  31   9.654   0.505  -5.450
  224    HA   VAL  31           HA       VAL  31   8.642  -1.506  -7.129
  225    HB   VAL  31           HB       VAL  31   9.925   0.627  -7.775
  226   HG11  VAL  31          HG11      VAL  31  11.919  -0.060  -6.332
  227   HG12  VAL  31          HG12      VAL  31  12.304   0.495  -7.962
  228   HG13  VAL  31          HG13      VAL  31  12.307  -1.230  -7.594
  229   HG21  VAL  31          HG21      VAL  31  10.193  -2.077  -9.051
  230   HG22  VAL  31          HG22      VAL  31  11.049  -0.709  -9.762
  231   HG23  VAL  31          HG23      VAL  31   9.293  -0.666  -9.608
  232    H    ASP  32           H        ASP  32  11.614  -1.488  -5.197
  233    HA   ASP  32           HA       ASP  32  12.697  -3.952  -6.127
  234    HB2  ASP  32           HB3      ASP  32  13.835  -2.303  -4.569
  235    HB3  ASP  32           HB2      ASP  32  12.819  -2.933  -3.273
  236    H    ASN  33           H        ASN  33  10.249  -3.200  -3.711
  237    HA   ASN  33           HA       ASN  33   9.841  -6.040  -3.054
  238    HB2  ASN  33           HB3      ASN  33   8.316  -3.578  -2.177
  239    HB3  ASN  33           HB2      ASN  33   8.138  -5.194  -1.499
  240   HD21  ASN  33          HD22      ASN  33   9.982  -2.277  -1.332
  241   HD22  ASN  33          HD21      ASN  33  11.157  -2.826  -0.238
  242    H    GLY  34           H        GLY  34   9.270  -4.534  -5.724
  243    HA2  GLY  34           HA3      GLY  34   6.608  -4.304  -6.371
  244    HA3  GLY  34           HA2      GLY  34   7.778  -5.011  -7.484
  245    H    VAL  35           H        VAL  35   8.127  -7.159  -5.208
  246    HA   VAL  35           HA       VAL  35   6.641  -9.218  -6.405
  247    HB   VAL  35           HB       VAL  35   8.454  -9.362  -4.561
  248   HG11  VAL  35          HG11      VAL  35   6.049  -9.432  -2.755
  249   HG12  VAL  35          HG12      VAL  35   6.911  -7.924  -3.049
  250   HG13  VAL  35          HG13      VAL  35   7.751  -9.291  -2.316
  251   HG21  VAL  35          HG21      VAL  35   5.976 -11.109  -4.382
  252   HG22  VAL  35          HG22      VAL  35   7.590 -11.548  -3.823
  253   HG23  VAL  35          HG23      VAL  35   7.285 -11.320  -5.545
  254    H    ILE  36           H        ILE  36   5.683  -6.844  -4.015
  255    HA   ILE  36           HA       ILE  36   3.151  -8.050  -3.326
  256    HB   ILE  36           HB       ILE  36   4.489  -6.162  -2.113
  257   HG12  ILE  36          HG13      ILE  36   1.493  -5.875  -2.523
  258   HG13  ILE  36          HG12      ILE  36   2.251  -7.035  -1.435
  259   HG21  ILE  36          HG21      ILE  36   4.096  -3.946  -2.819
  260   HG22  ILE  36          HG22      ILE  36   2.719  -4.414  -3.818
  261   HG23  ILE  36          HG23      ILE  36   4.359  -4.804  -4.338
  262   HD11  ILE  36          HD11      ILE  36   3.084  -5.336  -0.011
  263   HD12  ILE  36          HD12      ILE  36   1.444  -4.819  -0.400
  264   HD13  ILE  36          HD13      ILE  36   2.817  -4.077  -1.217
  265    H    ASP  37           H        ASP  37   4.273  -6.080  -5.956
  266    HA   ASP  37           HA       ASP  37   1.899  -4.821  -6.778
  267    HB2  ASP  37           HB3      ASP  37   4.171  -5.896  -8.459
  268    HB3  ASP  37           HB2      ASP  37   2.915  -4.815  -9.059
  269    H    SER  38           H        SER  38   2.896  -8.184  -7.369
  270    HA   SER  38           HA       SER  38   0.333  -8.540  -8.869
  271    HB2  SER  38           2HB      SER  38   2.882 -10.157  -8.998
  272    HB3  SER  38           1HB      SER  38   1.407 -10.529  -9.884
  273    H    LEU  39           H        LEU  39   2.496 -10.668  -6.964
  274    HA   LEU  39           HA       LEU  39   0.379 -12.436  -6.248
  275    HB2  LEU  39           HB3      LEU  39   2.819 -12.999  -6.168
  276    HB3  LEU  39           HB2      LEU  39   2.953 -11.980  -4.739
  277    HG   LEU  39           HG       LEU  39   0.782 -13.981  -4.636
  278   HD11  LEU  39          HD11      LEU  39   3.708 -14.754  -4.709
  279   HD12  LEU  39          HD12      LEU  39   2.406 -15.388  -5.715
  280   HD13  LEU  39          HD13      LEU  39   2.459 -15.774  -3.995
  281   HD21  LEU  39          HD21      LEU  39   3.002 -13.607  -2.644
  282   HD22  LEU  39          HD22      LEU  39   1.304 -13.987  -2.356
  283   HD23  LEU  39          HD23      LEU  39   1.776 -12.352  -2.817
  284    H    GLY  40           H        GLY  40   1.996  -9.918  -4.317
  285    HA2  GLY  40           HA3      GLY  40   0.163 -10.195  -2.105
  286    HA3  GLY  40           HA2      GLY  40   1.283  -8.861  -2.349
  287    H    LEU  41           H        LEU  41   0.336  -8.023  -4.907
  288    HA   LEU  41           HA       LEU  41  -1.743  -6.244  -4.148
  289    HB2  LEU  41           HB3      LEU  41  -0.213  -5.958  -6.128
  290    HB3  LEU  41           HB2      LEU  41  -1.141  -7.206  -6.957
  291    HG   LEU  41           HG       LEU  41  -3.189  -5.672  -6.295
  292   HD11  LEU  41          HD11      LEU  41  -1.758  -4.121  -4.956
  293   HD12  LEU  41          HD12      LEU  41  -2.615  -3.303  -6.261
  294   HD13  LEU  41          HD13      LEU  41  -0.903  -3.687  -6.436
  295   HD21  LEU  41          HD21      LEU  41  -2.483  -6.216  -8.596
  296   HD22  LEU  41          HD22      LEU  41  -1.233  -4.975  -8.508
  297   HD23  LEU  41          HD23      LEU  41  -2.936  -4.517  -8.467
  298    H    LEU  42           H        LEU  42  -1.872  -9.370  -5.820
  299    HA   LEU  42           HA       LEU  42  -4.675  -9.323  -6.380
  300    HB2  LEU  42           HB3      LEU  42  -3.020 -10.968  -7.331
  301    HB3  LEU  42           HB2      LEU  42  -2.988 -11.762  -5.764
  302    HG   LEU  42           HG       LEU  42  -5.592 -11.826  -6.029
  303   HD11  LEU  42          HD11      LEU  42  -5.092 -12.119  -8.920
  304   HD12  LEU  42          HD12      LEU  42  -5.002 -10.464  -8.322
  305   HD13  LEU  42          HD13      LEU  42  -6.472 -11.408  -8.083
  306   HD21  LEU  42          HD21      LEU  42  -3.701 -13.570  -7.640
  307   HD22  LEU  42          HD22      LEU  42  -5.373 -13.989  -7.267
  308   HD23  LEU  42          HD23      LEU  42  -4.193 -13.828  -5.966
  309    H    LYS  43           H        LYS  43  -2.857 -10.568  -3.575
  310    HA   LYS  43           HA       LYS  43  -5.177 -11.512  -2.168
  311    HB2  LYS  43           HB3      LYS  43  -2.452 -10.668  -1.170
  312    HB3  LYS  43           HB2      LYS  43  -3.661 -11.489  -0.189
  313    HG2  LYS  43           HG3      LYS  43  -3.670 -13.363  -1.841
  314    HG3  LYS  43           HG2      LYS  43  -2.361 -12.558  -2.709
  315    HD2  LYS  43           HD3      LYS  43  -0.990 -12.628  -0.620
  316    HD3  LYS  43           HD2      LYS  43  -2.278 -13.552   0.154
  317    HE2  LYS  43           HE3      LYS  43  -1.032 -14.454  -2.443
  318    HE3  LYS  43           HE2      LYS  43  -0.339 -14.896  -0.882
  319    HZ1  LYS  43           HZ1      LYS  43  -2.823 -15.541  -0.402
  320    HZ2  LYS  43           HZ2      LYS  43  -1.769 -16.618  -1.181
  321    HZ3  LYS  43           HZ3      LYS  43  -2.876 -15.707  -2.093
  322    H    VAL  44           H        VAL  44  -3.379  -8.447  -2.093
  323    HA   VAL  44           HA       VAL  44  -4.915  -7.275   0.035
  324    HB   VAL  44           HB       VAL  44  -3.304  -5.999  -2.190
  325   HG11  VAL  44          HG11      VAL  44  -4.536  -4.837   0.323
  326   HG12  VAL  44          HG12      VAL  44  -4.883  -4.371  -1.342
  327   HG13  VAL  44          HG13      VAL  44  -3.306  -4.015  -0.637
  328   HG21  VAL  44          HG21      VAL  44  -2.476  -7.537  -0.048
  329   HG22  VAL  44          HG22      VAL  44  -2.356  -5.897   0.590
  330   HG23  VAL  44          HG23      VAL  44  -1.483  -6.338  -0.877
  331    H    ILE  45           H        ILE  45  -5.240  -7.140  -3.508
  332    HA   ILE  45           HA       ILE  45  -7.363  -5.248  -3.565
  333    HB   ILE  45           HB       ILE  45  -6.207  -7.248  -5.412
  334   HG12  ILE  45          HG13      ILE  45  -6.151  -5.371  -6.897
  335   HG13  ILE  45          HG12      ILE  45  -7.355  -4.500  -5.950
  336   HG21  ILE  45          HG21      ILE  45  -8.156  -6.892  -7.011
  337   HG22  ILE  45          HG22      ILE  45  -9.084  -6.331  -5.623
  338   HG23  ILE  45          HG23      ILE  45  -8.470  -7.985  -5.665
  339   HD11  ILE  45          HD11      ILE  45  -5.824  -3.815  -4.391
  340   HD12  ILE  45          HD12      ILE  45  -4.695  -4.064  -5.719
  341   HD13  ILE  45          HD13      ILE  45  -4.899  -5.313  -4.494
  342    H    ALA  46           H        ALA  46  -7.454  -8.816  -3.390
  343    HA   ALA  46           HA       ALA  46 -10.305  -9.015  -3.428
  344    HB1  ALA  46           HB1      ALA  46  -9.192 -11.044  -3.787
  345    HB2  ALA  46           HB2      ALA  46  -9.759 -11.219  -2.126
  346    HB3  ALA  46           HB3      ALA  46  -8.080 -10.780  -2.443
  347    H    TRP  47           H        TRP  47  -8.011  -8.817  -0.697
  348    HA   TRP  47           HA       TRP  47 -10.162  -8.833   1.269
  349    HB2  TRP  47           HB3      TRP  47  -8.266  -9.695   2.226
  350    HB3  TRP  47           HB2      TRP  47  -7.196  -8.629   1.316
  351    HD1  TRP  47           HD1      TRP  47 -10.112  -7.787   3.731
  352    HE1  TRP  47           HE1      TRP  47  -9.207  -6.144   5.504
  353    HE3  TRP  47           HE3      TRP  47  -5.246  -7.549   2.282
  354    HZ2  TRP  47           HZ2      TRP  47  -6.725  -4.894   6.212
  355    HZ3  TRP  47           HZ3      TRP  47  -3.619  -6.132   3.512
  356    HH2  TRP  47           HH2      TRP  47  -4.355  -4.805   5.475
  357    H    LEU  48           H        LEU  48  -7.876  -6.362   0.102
  358    HA   LEU  48           HA       LEU  48  -8.820  -4.216   1.672
  359    HB2  LEU  48           HB3      LEU  48  -6.746  -4.257   0.228
  360    HB3  LEU  48           HB2      LEU  48  -7.789  -3.999  -1.162
  361    HG   LEU  48           HG       LEU  48  -8.711  -2.003   0.275
  362   HD11  LEU  48          HD11      LEU  48  -6.965  -2.962   2.088
  363   HD12  LEU  48          HD12      LEU  48  -7.398  -1.255   1.997
  364   HD13  LEU  48          HD13      LEU  48  -5.911  -1.830   1.244
  365   HD21  LEU  48          HD21      LEU  48  -6.469  -0.754  -0.590
  366   HD22  LEU  48          HD22      LEU  48  -7.757  -1.267  -1.681
  367   HD23  LEU  48          HD23      LEU  48  -6.323  -2.273  -1.474
  368    H    GLU  49           H        GLU  49  -9.901  -5.260  -1.577
  369    HA   GLU  49           HA       GLU  49 -11.790  -3.143  -1.924
  370    HB2  GLU  49           HB3      GLU  49 -11.678  -5.947  -3.054
  371    HB3  GLU  49           HB2      GLU  49 -12.839  -4.736  -3.570
  372    HG2  GLU  49           HG3      GLU  49  -9.842  -4.381  -3.669
  373    HG3  GLU  49           HG2      GLU  49 -10.848  -4.801  -5.047
  374    H    ASP  50           H        ASP  50 -12.039  -6.365  -0.472
  375    HA   ASP  50           HA       ASP  50 -14.870  -6.269   0.012
  376    HB2  ASP  50           HB3      ASP  50 -13.418  -8.333   0.064
  377    HB3  ASP  50           HB2      ASP  50 -12.797  -7.767   1.613
  378    H    ARG  51           H        ARG  51 -12.050  -5.339   1.938
  379    HA   ARG  51           HA       ARG  51 -13.377  -4.787   4.377
  380    HB2  ARG  51           HB3      ARG  51 -10.904  -4.856   4.081
  381    HB3  ARG  51           HB2      ARG  51 -10.992  -3.317   3.223
  382    HG2  ARG  51           HG3      ARG  51 -12.024  -2.278   5.228
  383    HG3  ARG  51           HG2      ARG  51 -11.863  -3.811   6.086
  384    HD2  ARG  51           HD3      ARG  51  -9.396  -3.724   5.689
  385    HD3  ARG  51           HD2      ARG  51  -9.603  -2.129   4.966
  386    HE   ARG  51           HE       ARG  51 -10.811  -2.058   7.529
  387   HH11  ARG  51          HH22      ARG  51  -7.737  -2.490   6.028
  388   HH12  ARG  51          HH21      ARG  51  -6.847  -1.817   7.353
  389   HH21  ARG  51          HH11      ARG  51  -9.666  -1.176   9.267
  390   HH22  ARG  51          HH12      ARG  51  -7.939  -1.073   9.187
  391    H    PHE  52           H        PHE  52 -12.871  -2.672   1.541
  392    HA   PHE  52           HA       PHE  52 -14.516  -0.599   2.900
  393    HB2  PHE  52           HB3      PHE  52 -12.689  -0.510   0.491
  394    HB3  PHE  52           HB2      PHE  52 -13.699   0.842   0.994
  395    HD1  PHE  52           HD2      PHE  52 -13.337   1.937   3.195
  396    HD2  PHE  52           HD1      PHE  52 -10.718  -1.135   1.729
  397    HE1  PHE  52           HE2      PHE  52 -11.636   2.583   4.879
  398    HE2  PHE  52           HE1      PHE  52  -9.017  -0.489   3.415
  399    HZ   PHE  52           HZ       PHE  52  -9.476   1.370   4.989
  400    H    GLY  53           H        GLY  53 -14.976  -3.161   0.831
  401    HA2  GLY  53           HA3      GLY  53 -16.805  -3.730  -0.535
  402    HA3  GLY  53           HA2      GLY  53 -17.626  -2.306   0.110
  403    H    ILE  54           H        ILE  54 -14.526  -2.298  -1.582
  404    HA   ILE  54           HA       ILE  54 -15.718  -0.447  -3.581
  405    HB   ILE  54           HB       ILE  54 -12.817  -1.135  -3.021
  406   HG12  ILE  54          HG13      ILE  54 -14.313   1.397  -2.308
  407   HG13  ILE  54          HG12      ILE  54 -14.137   0.052  -1.181
  408   HG21  ILE  54          HG21      ILE  54 -12.921   1.339  -4.231
  409   HG22  ILE  54          HG22      ILE  54 -14.197   0.460  -5.072
  410   HG23  ILE  54          HG23      ILE  54 -12.551  -0.173  -5.060
  411   HD11  ILE  54          HD11      ILE  54 -11.649   0.189  -1.502
  412   HD12  ILE  54          HD12      ILE  54 -12.344   1.630  -0.758
  413   HD13  ILE  54          HD13      ILE  54 -11.902   1.645  -2.466
  414    H    ALA  55           H        ALA  55 -15.626  -0.903  -5.808
  415    HA   ALA  55           HA       ALA  55 -15.586  -3.695  -6.548
  416    HB1  ALA  55           HB1      ALA  55 -16.362  -1.209  -7.750
  417    HB2  ALA  55           HB2      ALA  55 -16.759  -2.846  -8.271
  418    HB3  ALA  55           HB3      ALA  55 -15.296  -2.062  -8.866
  419    H    ALA  56           H        ALA  56 -13.923  -4.885  -7.444
  420    HA   ALA  56           HA       ALA  56 -11.223  -3.958  -7.148
  421    HB1  ALA  56           HB1      ALA  56 -12.215  -6.398  -7.268
  422    HB2  ALA  56           HB2      ALA  56 -10.581  -6.083  -7.854
  423    HB3  ALA  56           HB3      ALA  56 -11.918  -6.217  -8.997
  424    H    ASP  57           H        ASP  57 -13.450  -4.035  -9.880
  425    HA   ASP  57           HA       ASP  57 -11.326  -3.112 -11.717
  426    HB2  ASP  57           HB3      ASP  57 -14.248  -3.747 -12.148
  427    HB3  ASP  57           HB2      ASP  57 -13.159  -3.207 -13.423
  428    H    ASP  58           H        ASP  58 -13.082  -1.619  -9.427
  429    HA   ASP  58           HA       ASP  58 -14.372   0.559 -10.675
  430    HB2  ASP  58           HB3      ASP  58 -14.381   0.013  -8.207
  431    HB3  ASP  58           HB2      ASP  58 -12.774   0.729  -8.119
  432    H    VAL  59           H        VAL  59 -10.951   0.090  -9.893
  433    HA   VAL  59           HA       VAL  59 -10.336   2.421 -11.659
  434    HB   VAL  59           HB       VAL  59  -8.516   3.070 -10.149
  435   HG11  VAL  59          HG11      VAL  59 -11.132   3.592  -9.766
  436   HG12  VAL  59          HG12      VAL  59  -9.876   4.223  -8.701
  437   HG13  VAL  59          HG13      VAL  59 -10.782   2.782  -8.239
  438   HG21  VAL  59          HG21      VAL  59  -9.154   0.456  -8.988
  439   HG22  VAL  59          HG22      VAL  59  -9.018   1.726  -7.771
  440   HG23  VAL  59          HG23      VAL  59  -7.672   1.404  -8.865
  441    H    GLU  60           H        GLU  60  -8.164   2.270 -12.645
  442    HA   GLU  60           HA       GLU  60  -7.425  -0.573 -13.100
  443    HB2  GLU  60           HB3      GLU  60  -7.872   0.891 -15.071
  444    HB3  GLU  60           HB2      GLU  60  -6.518   1.906 -14.587
  445    HG2  GLU  60           HG3      GLU  60  -5.022  -0.056 -14.739
  446    HG3  GLU  60           HG2      GLU  60  -6.379  -1.026 -15.296
  447    H    LEU  61           H        LEU  61  -5.427  -1.369 -12.508
  448    HA   LEU  61           HA       LEU  61  -3.694   0.481 -10.947
  449    HB2  LEU  61           HB3      LEU  61  -3.661  -2.548 -10.965
  450    HB3  LEU  61           HB2      LEU  61  -2.876  -1.480  -9.804
  451    HG   LEU  61           HG       LEU  61  -5.846  -1.831 -10.218
  452   HD11  LEU  61          HD11      LEU  61  -3.921  -2.508  -7.992
  453   HD12  LEU  61          HD12      LEU  61  -4.992  -3.600  -8.869
  454   HD13  LEU  61          HD13      LEU  61  -5.663  -2.425  -7.737
  455   HD21  LEU  61          HD21      LEU  61  -4.240   0.219  -8.710
  456   HD22  LEU  61          HD22      LEU  61  -5.845  -0.243  -8.144
  457   HD23  LEU  61          HD23      LEU  61  -5.645   0.461  -9.749
  458    H    SER  62           H        SER  62  -1.590   0.835 -11.585
  459    HA   SER  62           HA       SER  62  -0.534  -0.790 -13.847
  460    HB2  SER  62           HB3      SER  62   0.599   1.657 -14.264
  461    HB3  SER  62           HB2      SER  62  -0.857   1.097 -15.080
  462    HG   SER  62           HG       SER  62  -0.590   3.149 -13.441
  463    HA   PRO  63           HA       PRO  63   3.142  -1.259 -11.469
  464    HB2  PRO  63           HB2      PRO  63   5.092  -0.763 -13.394
  465    HB3  PRO  63           HB3      PRO  63   4.261  -2.310 -13.162
  466    HG2  PRO  63           HG3      PRO  63   3.780  -0.185 -15.171
  467    HG3  PRO  63           HG2      PRO  63   3.624  -1.943 -15.320
  468    HD2  PRO  63           HD3      PRO  63   1.467  -0.300 -15.063
  469    HD3  PRO  63           HD2      PRO  63   1.481  -1.964 -14.440
  470    H    GLU  64           H        GLU  64   2.980   1.635 -13.490
  471    HA   GLU  64           HA       GLU  64   5.077   3.091 -12.187
  472    HB2  GLU  64           HB3      GLU  64   2.624   4.068 -13.653
  473    HB3  GLU  64           HB2      GLU  64   3.967   5.094 -13.173
  474    HG2  GLU  64           HG3      GLU  64   5.494   3.671 -14.506
  475    HG3  GLU  64           HG2      GLU  64   4.111   2.719 -15.035
  476    H    HIS  65           H        HIS  65   1.735   2.486 -11.429
  477    HA   HIS  65           HA       HIS  65   1.364   4.595  -9.509
  478    HB2  HIS  65           HB3      HIS  65  -0.472   3.277 -10.594
  479    HB3  HIS  65           HB2      HIS  65   0.002   1.889  -9.617
  480    HD1  HIS  65           HD1      HIS  65  -0.319   2.111  -6.998
  481    HD2  HIS  65           HD2      HIS  65  -1.968   5.225  -9.230
  482    HE1  HIS  65           HE1      HIS  65  -1.891   3.354  -5.445
  483    HE2  HIS  65           HE2      HIS  65  -2.897   5.252  -6.793
  484    H    PHE  66           H        PHE  66   2.878   1.442  -9.326
  485    HA   PHE  66           HA       PHE  66   2.936   1.581  -6.362
  486    HB2  PHE  66           HB3      PHE  66   3.895  -0.582  -8.256
  487    HB3  PHE  66           HB2      PHE  66   3.828  -0.711  -6.499
  488    HD1  PHE  66           HD2      PHE  66   1.629  -0.677  -5.318
  489    HD2  PHE  66           HD1      PHE  66   1.918  -0.762  -9.602
  490    HE1  PHE  66           HE2      PHE  66  -0.754  -1.349  -5.466
  491    HE2  PHE  66           HE1      PHE  66  -0.464  -1.432  -9.751
  492    HZ   PHE  66           HZ       PHE  66  -1.799  -1.724  -7.684
  493    H    ARG  67           H        ARG  67   4.752   3.004  -8.644
  494    HA   ARG  67           HA       ARG  67   7.415   2.166  -8.119
  495    HB2  ARG  67           HB3      ARG  67   6.287   4.844  -8.950
  496    HB3  ARG  67           HB2      ARG  67   8.018   4.544  -8.810
  497    HG2  ARG  67           HG3      ARG  67   6.363   2.619 -10.381
  498    HG3  ARG  67           HG2      ARG  67   6.776   4.168 -11.116
  499    HD2  ARG  67           HD3      ARG  67   8.829   2.332  -9.856
  500    HD3  ARG  67           HD2      ARG  67   8.430   2.300 -11.573
  501    HE   ARG  67           HE       ARG  67   9.950   4.398 -10.192
  502   HH11  ARG  67          HH22      ARG  67   8.062   3.426 -12.908
  503   HH12  ARG  67          HH21      ARG  67   8.717   4.633 -13.963
  504   HH21  ARG  67          HH11      ARG  67  10.816   5.980 -11.554
  505   HH22  ARG  67          HH12      ARG  67  10.276   6.079 -13.197
  506    H    SER  68           H        SER  68   5.402   4.551  -6.398
  507    HA   SER  68           HA       SER  68   7.333   4.333  -4.142
  508    HB2  SER  68           HB3      SER  68   7.410   6.736  -3.832
  509    HB3  SER  68           HB2      SER  68   7.884   6.374  -5.489
  510    HG   SER  68           HG       SER  68   5.803   7.825  -4.568
  511    H    ILE  69           H        ILE  69   6.402   4.793  -2.076
  512    HA   ILE  69           HA       ILE  69   3.646   4.067  -1.797
  513    HB   ILE  69           HB       ILE  69   5.529   5.378   0.185
  514   HG12  ILE  69          HG13      ILE  69   4.819   2.464  -0.172
  515   HG13  ILE  69          HG12      ILE  69   6.284   3.197  -0.809
  516   HG21  ILE  69          HG21      ILE  69   2.970   3.822   0.560
  517   HG22  ILE  69          HG22      ILE  69   3.179   5.549   0.847
  518   HG23  ILE  69          HG23      ILE  69   4.023   4.377   1.857
  519   HD11  ILE  69          HD11      ILE  69   7.026   3.801   1.418
  520   HD12  ILE  69          HD12      ILE  69   6.615   2.085   1.417
  521   HD13  ILE  69          HD13      ILE  69   5.498   3.260   2.112
  522    H    ARG  70           H        ARG  70   5.344   7.181  -1.777
  523    HA   ARG  70           HA       ARG  70   3.190   8.788  -0.840
  524    HB2  ARG  70           HB3      ARG  70   5.430   9.472  -2.767
  525    HB3  ARG  70           HB2      ARG  70   4.372  10.657  -1.998
  526    HG2  ARG  70           HG3      ARG  70   5.103   9.797   0.233
  527    HG3  ARG  70           HG2      ARG  70   6.244   8.732  -0.590
  528    HD2  ARG  70           HD3      ARG  70   6.205  11.761  -0.729
  529    HD3  ARG  70           HD2      ARG  70   7.394  10.772   0.119
  530    HE   ARG  70           HE       ARG  70   7.525   9.843  -2.479
  531   HH11  ARG  70          HH22      ARG  70   7.666  12.922  -0.935
  532   HH12  ARG  70          HH21      ARG  70   8.720  13.617  -2.121
  533   HH21  ARG  70          HH11      ARG  70   8.900  10.733  -4.037
  534   HH22  ARG  70          HH12      ARG  70   9.418  12.378  -3.877
  535    H    SER  71           H        SER  71   4.014   7.702  -4.132
  536    HA   SER  71           HA       SER  71   2.060   9.263  -5.502
  537    HB2  SER  71           HB3      SER  71   3.903   7.923  -6.585
  538    HB3  SER  71           HB2      SER  71   2.974   6.468  -6.239
  539    HG   SER  71           HG       SER  71   1.784   8.651  -7.561
  540    H    ILE  72           H        ILE  72   1.865   6.006  -4.075
  541    HA   ILE  72           HA       ILE  72  -0.823   5.458  -4.829
  542    HB   ILE  72           HB       ILE  72   0.706   4.523  -2.382
  543   HG12  ILE  72          HG13      ILE  72   0.426   3.235  -5.117
  544   HG13  ILE  72          HG12      ILE  72   1.859   4.106  -4.570
  545   HG21  ILE  72          HG21      ILE  72  -1.164   3.391  -1.882
  546   HG22  ILE  72          HG22      ILE  72  -1.080   2.583  -3.447
  547   HG23  ILE  72          HG23      ILE  72  -1.975   4.093  -3.280
  548   HD11  ILE  72          HD11      ILE  72   2.205   1.727  -4.197
  549   HD12  ILE  72          HD12      ILE  72   0.678   1.608  -3.323
  550   HD13  ILE  72          HD13      ILE  72   2.019   2.524  -2.635
  551    H    ASP  73           H        ASP  73   0.578   7.099  -2.018
  552    HA   ASP  73           HA       ASP  73  -1.740   7.335  -0.429
  553    HB2  ASP  73           HB3      ASP  73   0.571   9.262  -0.798
  554    HB3  ASP  73           HB2      ASP  73  -0.622   9.375   0.493
  555    H    ALA  74           H        ALA  74  -0.627   9.331  -3.153
  556    HA   ALA  74           HA       ALA  74  -2.637  11.352  -2.867
  557    HB1  ALA  74           HB1      ALA  74  -1.246  10.451  -5.405
  558    HB2  ALA  74           HB2      ALA  74  -0.580  11.610  -4.254
  559    HB3  ALA  74           HB3      ALA  74  -2.051  11.999  -5.147
  560    H    PHE  75           H        PHE  75  -2.548   8.373  -4.835
  561    HA   PHE  75           HA       PHE  75  -5.110   8.810  -6.047
  562    HB2  PHE  75           HB3      PHE  75  -3.534   6.280  -5.514
  563    HB3  PHE  75           HB2      PHE  75  -5.037   6.311  -6.431
  564    HD1  PHE  75           HD2      PHE  75  -5.179   7.909  -8.452
  565    HD2  PHE  75           HD1      PHE  75  -1.487   6.792  -6.565
  566    HE1  PHE  75           HE2      PHE  75  -3.932   8.612 -10.477
  567    HE2  PHE  75           HE1      PHE  75  -0.238   7.499  -8.588
  568    HZ   PHE  75           HZ       PHE  75  -1.461   8.408 -10.545
  569    H    VAL  76           H        VAL  76  -4.135   6.943  -3.159
  570    HA   VAL  76           HA       VAL  76  -6.789   6.104  -2.489
  571    HB   VAL  76           HB       VAL  76  -4.285   6.461  -0.822
  572   HG11  VAL  76          HG11      VAL  76  -7.038   5.470  -0.131
  573   HG12  VAL  76          HG12      VAL  76  -5.996   6.564   0.778
  574   HG13  VAL  76          HG13      VAL  76  -5.623   4.842   0.712
  575   HG21  VAL  76          HG21      VAL  76  -3.811   4.275  -1.339
  576   HG22  VAL  76          HG22      VAL  76  -4.767   4.648  -2.774
  577   HG23  VAL  76          HG23      VAL  76  -5.513   3.816  -1.409
  578    H    VAL  77           H        VAL  77  -4.806   8.888  -1.435
  579    HA   VAL  77           HA       VAL  77  -6.704   9.951   0.404
  580    HB   VAL  77           HB       VAL  77  -4.533  11.246  -1.261
  581   HG11  VAL  77          HG11      VAL  77  -5.934  13.063  -0.829
  582   HG12  VAL  77          HG12      VAL  77  -4.870  13.077   0.577
  583   HG13  VAL  77          HG13      VAL  77  -6.491  12.395   0.704
  584   HG21  VAL  77          HG21      VAL  77  -4.416   9.590   0.960
  585   HG22  VAL  77          HG22      VAL  77  -4.342  11.203   1.668
  586   HG23  VAL  77          HG23      VAL  77  -3.153  10.715   0.461
  587    H    GLY  78           H        GLY  78  -6.282  10.370  -3.087
  588    HA2  GLY  78           HA3      GLY  78  -8.121  12.481  -3.490
  589    HA3  GLY  78           HA2      GLY  78  -7.742  11.250  -4.694
  590    H    ALA  79           H        ALA  79  -8.682   9.016  -3.010
  591    HA   ALA  79           HA       ALA  79 -11.599   9.490  -3.391
  592    HB1  ALA  79           HB1      ALA  79 -10.079   7.487  -4.388
  593    HB2  ALA  79           HB2      ALA  79 -11.798   7.308  -4.038
  594    HB3  ALA  79           HB3      ALA  79 -10.599   6.749  -2.873
  595    H    THR  80           H        THR  80  -9.380   7.855  -1.111
  596    HA   THR  80           HA       THR  80 -10.914   8.864   1.155
  597    HB   THR  80           HB       THR  80 -12.236   6.858   0.304
  598    HG1  THR  80           HG1      THR  80 -11.245   7.314   2.835
  599   HG21  THR  80          HG21      THR  80  -9.774   5.685   0.079
  600   HG22  THR  80          HG22      THR  80 -11.296   4.797   0.153
  601   HG23  THR  80          HG23      THR  80 -10.336   5.025   1.615
  602    H    THR  81           H        THR  81  -9.760   8.578   3.135
  603    HA   THR  81           HA       THR  81  -7.104   7.242   2.881
  604    HB   THR  81           HB       THR  81  -6.652   9.590   2.672
  605    HG1  THR  81           HG1      THR  81  -5.939   9.853   5.119
  606   HG21  THR  81          HG21      THR  81  -8.970   9.807   4.349
  607   HG22  THR  81          HG22      THR  81  -8.138  11.079   3.455
  608   HG23  THR  81          HG23      THR  81  -7.637  10.685   5.100
  609    HA   PRO  82           HA       PRO  82  -9.062   5.837   6.779
  610    HB2  PRO  82           HB2      PRO  82  -9.039   3.201   6.290
  611    HB3  PRO  82           HB3      PRO  82 -10.233   4.268   5.525
  612    HG2  PRO  82           HG3      PRO  82  -7.837   2.982   4.365
  613    HG3  PRO  82           HG2      PRO  82  -9.366   3.432   3.595
  614    HD2  PRO  82           HD3      PRO  82  -6.912   4.906   3.545
  615    HD3  PRO  82           HD2      PRO  82  -8.484   5.415   2.893
  616    HA   PRO  83           HA       PRO  83  -4.755   4.908   8.083
  617    HB2  PRO  83           HB2      PRO  83  -4.937   5.952  10.589
  618    HB3  PRO  83           HB3      PRO  83  -4.662   6.949   9.149
  619    HG2  PRO  83           HG3      PRO  83  -7.132   6.555  10.732
  620    HG3  PRO  83           HG2      PRO  83  -6.559   7.986   9.861
  621    HD2  PRO  83           HD3      PRO  83  -8.514   6.211   8.940
  622    HD3  PRO  83           HD2      PRO  83  -7.619   7.367   7.930
  623    H    VAL  84           H        VAL  84  -4.139   2.958   8.938
  624    HA   VAL  84           HA       VAL  84  -5.904   1.712  11.011
  625    HB   VAL  84           HB       VAL  84  -4.454   0.243   8.790
  626   HG11  VAL  84          HG11      VAL  84  -5.603  -1.700   9.584
  627   HG12  VAL  84          HG12      VAL  84  -6.628  -0.740  10.650
  628   HG13  VAL  84          HG13      VAL  84  -4.913  -0.928  11.012
  629   HG21  VAL  84          HG21      VAL  84  -6.770  -0.130   7.899
  630   HG22  VAL  84          HG22      VAL  84  -6.266   1.559   7.832
  631   HG23  VAL  84          HG23      VAL  84  -7.371   1.018   9.095
  632    H    GLU  85           H        GLU  85  -4.808   1.023  12.803
  633    HA   GLU  85           HA       GLU  85  -2.024   1.644  13.133
  634    HB2  GLU  85           HB3      GLU  85  -3.861  -0.129  14.771
  635    HB3  GLU  85           HB2      GLU  85  -2.251   0.384  15.279
  636    HG2  GLU  85           HG3      GLU  85  -2.967   2.755  15.080
  637    HG3  GLU  85           HG2      GLU  85  -4.589   2.211  14.651
  638    H    ALA  86           H        ALA  86  -3.746  -1.343  12.324
  639    HA   ALA  86           HA       ALA  86  -1.213  -2.498  11.366
  640    HB1  ALA  86           HB1      ALA  86  -1.371  -4.517  12.716
  641    HB2  ALA  86           HB2      ALA  86  -2.859  -3.938  13.467
  642    HB3  ALA  86           HB3      ALA  86  -1.331  -3.119  13.791
  643    H    LYS  87           H        LYS  87  -1.621  -4.516  10.116
  644    HA   LYS  87           HA       LYS  87  -4.125  -4.302   8.625
  645    HB2  LYS  87           HB3      LYS  87  -1.838  -6.288   8.439
  646    HB3  LYS  87           HB2      LYS  87  -3.194  -6.214   7.314
  647    HG2  LYS  87           HG3      LYS  87  -2.588  -3.837   6.817
  648    HG3  LYS  87           HG2      LYS  87  -1.162  -4.026   7.837
  649    HD2  LYS  87           HD3      LYS  87  -0.439  -5.937   6.389
  650    HD3  LYS  87           HD2      LYS  87  -1.803  -5.595   5.323
  651    HE2  LYS  87           HE3      LYS  87   0.720  -4.066   5.722
  652    HE3  LYS  87           HE2      LYS  87  -0.226  -4.308   4.253
  653    HZ1  LYS  87           HZ1      LYS  87  -0.628  -2.112   4.752
  654    HZ2  LYS  87           HZ2      LYS  87  -0.641  -2.369   6.428
  655    HZ3  LYS  87           HZ3      LYS  87  -1.959  -2.873   5.483
  656    H    LEU  88           H        LEU  88  -5.821  -5.816   8.629
  657    HA   LEU  88           HA       LEU  88  -6.436  -7.130  11.060
  658    HB2  LEU  88           HB3      LEU  88  -8.101  -6.536   9.291
  659    HB3  LEU  88           HB2      LEU  88  -7.461  -7.844   8.296
  660    HG   LEU  88           HG       LEU  88  -7.972  -9.432  10.190
  661   HD11  LEU  88          HD11      LEU  88  -9.036  -6.868  11.332
  662   HD12  LEU  88          HD12      LEU  88  -8.162  -8.172  12.136
  663   HD13  LEU  88          HD13      LEU  88  -9.860  -8.380  11.711
  664   HD21  LEU  88          HD21      LEU  88 -10.642  -8.690   9.836
  665   HD22  LEU  88          HD22      LEU  88  -9.718  -9.774   8.797
  666   HD23  LEU  88          HD23      LEU  88  -9.826  -8.058   8.406
  667    H    GLN  89           H        GLN  89  -4.852  -8.338   8.127
  668    HA   GLN  89           HA       GLN  89  -3.741 -10.367   7.721
  669    HB2  GLN  89           HB3      GLN  89  -3.372 -10.162  10.726
  670    HB3  GLN  89           HB2      GLN  89  -2.499 -11.284   9.683
  671    HG2  GLN  89           HG3      GLN  89  -1.561  -9.405   8.410
  672    HG3  GLN  89           HG2      GLN  89  -2.464  -8.264   9.408
  673   HE21  GLN  89          HE22      GLN  89   0.381  -8.144   9.312
  674   HE22  GLN  89          HE21      GLN  89   0.998  -8.612  10.823
  675    H1   PN7 101           3HO      SAT  38   1.639  -5.199 -14.940
  676    H2   PN7 101           1H1      SAT  38   1.798  -6.490 -10.569
  677    H3   PN7 101           2H1      SAT  38   0.090  -6.819 -10.859
  678    H5   PN7 101          3HE1      SAT  38   0.810  -4.482  -9.896
  679    H6   PN7 101          1HE1      SAT  38   0.372  -3.234 -11.062
  680    H7   PN7 101          2HE1      SAT  38   2.060  -3.710 -10.872
  681    H8   PN7 101          2HE2      SAT  38  -0.614  -4.065 -13.084
  682    H9   PN7 101          3HE2      SAT  38  -1.280  -5.040 -11.773
  683    H10  PN7 101          1HE2      SAT  38  -0.702  -5.819 -13.246
  684    H11  PN7 101           3H       SAT  38   1.942  -3.898 -13.321
  685    H12  PN7 101           5H       SAT  38   3.739  -3.515 -11.910
  686    H13  PN7 101           2H6      SAT  38   6.070  -3.674 -12.232
  687    H14  PN7 101           1H6      SAT  38   5.811  -5.223 -13.034
  688    H15  PN7 101           1H7      SAT  38   5.509  -4.941 -10.045
  689    H16  PN7 101           2H7      SAT  38   7.085  -5.239 -10.779
  690    H17  PN7 101           9H       SAT  38   3.801  -7.012 -10.395
  691    H18  PN7 101          2H10      SAT  38   4.216  -8.367  -8.500
  692    H19  PN7 101          1H10      SAT  38   5.938  -8.032  -8.688
  693    H20  PN7 101          1H11      SAT  38   4.482  -9.839 -10.616
  694    H21  PN7 101          2H11      SAT  38   5.146 -10.459  -9.105
  695    H22  PN7 101          2HS1      SAT  38   7.524  -9.546  -9.934
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1   4.850  12.725   2.688
    2    H2   MET   1           H2       MET   1   4.857  14.026   3.781
    3    H3   MET   1           H3       MET   1   5.369  14.257   2.177
    4    HA   MET   1           HA       MET   1   3.273  15.094   2.000
    5    HB2  MET   1           HB3      MET   1   2.820  12.102   1.740
    6    HB3  MET   1           HB2      MET   1   1.821  13.366   1.022
    7    HG2  MET   1           HG3      MET   1   3.844  14.175  -0.222
    8    HG3  MET   1           HG2      MET   1   4.728  12.782   0.403
    9    HE1  MET   1           HE1      MET   1   5.267  11.668  -2.074
   10    HE2  MET   1           HE2      MET   1   4.800  13.344  -2.350
   11    HE3  MET   1           HE3      MET   1   4.130  12.057  -3.362
   12    H    GLN   2           H        GLN   2   0.882  13.318   2.530
   13    HA   GLN   2           HA       GLN   2   0.563  14.082   5.383
   14    HB2  GLN   2           HB3      GLN   2  -1.170  14.769   3.703
   15    HB3  GLN   2           HB2      GLN   2  -1.512  13.062   3.417
   16    HG2  GLN   2           HG3      GLN   2  -3.129  13.806   5.019
   17    HG3  GLN   2           HG2      GLN   2  -1.946  12.855   5.918
   18   HE21  GLN   2          HE22      GLN   2  -1.197  13.866   7.781
   19   HE22  GLN   2          HE21      GLN   2  -1.156  15.544   8.034
   20    H    HIS   3           H        HIS   3   0.979  12.502   6.859
   21    HA   HIS   3           HA       HIS   3   1.249  10.349   7.768
   22    HB2  HIS   3           HB3      HIS   3  -1.074   9.676   5.936
   23    HB3  HIS   3           HB2      HIS   3  -0.607   8.827   7.410
   24    HD1  HIS   3           HD1      HIS   3  -3.428   9.975   7.285
   25    HD2  HIS   3           HD2      HIS   3  -0.173  12.136   8.747
   26    HE1  HIS   3           HE1      HIS   3  -4.381  11.780   8.789
   27    HE2  HIS   3           HE2      HIS   3  -2.408  13.100   9.683
   28    H    ALA   4           H        ALA   4   2.633  11.095   5.238
   29    HA   ALA   4           HA       ALA   4   2.677   8.926   3.393
   30    HB1  ALA   4           HB1      ALA   4   4.210  10.219   2.363
   31    HB2  ALA   4           HB2      ALA   4   5.291  10.151   3.755
   32    HB3  ALA   4           HB3      ALA   4   4.015  11.366   3.689
   33    H    SER   5           H        SER   5   4.383   9.439   6.454
   34    HA   SER   5           HA       SER   5   6.259   7.320   6.220
   35    HB2  SER   5           HB3      SER   5   4.882   8.268   8.748
   36    HB3  SER   5           HB2      SER   5   6.415   7.405   8.654
   37    HG   SER   5           HG       SER   5   6.315   9.871   8.774
   38    H    VAL   6           H        VAL   6   2.883   7.303   7.317
   39    HA   VAL   6           HA       VAL   6   2.852   4.581   8.201
   40    HB   VAL   6           HB       VAL   6   0.660   6.362   7.132
   41   HG11  VAL   6          HG11      VAL   6   0.547   3.565   8.287
   42   HG12  VAL   6          HG12      VAL   6  -0.068   4.107   6.725
   43   HG13  VAL   6          HG13      VAL   6  -0.857   4.630   8.212
   44   HG21  VAL   6          HG21      VAL   6   0.043   6.567   9.474
   45   HG22  VAL   6          HG22      VAL   6   1.755   6.957   9.314
   46   HG23  VAL   6          HG23      VAL   6   1.264   5.382   9.937
   47    H    ILE   7           H        ILE   7   2.201   6.072   5.055
   48    HA   ILE   7           HA       ILE   7   1.345   3.736   3.693
   49    HB   ILE   7           HB       ILE   7   2.925   6.089   2.617
   50   HG12  ILE   7          HG13      ILE   7  -0.071   5.607   2.701
   51   HG13  ILE   7          HG12      ILE   7   0.797   6.644   3.834
   52   HG21  ILE   7          HG21      ILE   7   1.904   5.466   0.460
   53   HG22  ILE   7          HG22      ILE   7   1.118   4.085   1.224
   54   HG23  ILE   7          HG23      ILE   7   2.875   4.136   1.091
   55   HD11  ILE   7          HD11      ILE   7   0.727   8.337   2.360
   56   HD12  ILE   7          HD12      ILE   7  -0.171   7.312   1.241
   57   HD13  ILE   7          HD13      ILE   7   1.591   7.353   1.179
   58    H    ALA   8           H        ALA   8   4.630   5.110   3.998
   59    HA   ALA   8           HA       ALA   8   5.935   3.030   2.527
   60    HB1  ALA   8           HB1      ALA   8   7.921   3.818   4.115
   61    HB2  ALA   8           HB2      ALA   8   6.799   5.132   4.469
   62    HB3  ALA   8           HB3      ALA   8   7.332   4.851   2.812
   63    H    GLN   9           H        GLN   9   5.355   3.449   6.012
   64    HA   GLN   9           HA       GLN   9   6.639   0.976   6.740
   65    HB2  GLN   9           HB3      GLN   9   6.193   1.589   8.884
   66    HB3  GLN   9           HB2      GLN   9   5.800   3.140   8.152
   67    HG2  GLN   9           HG3      GLN   9   3.938   2.659   9.518
   68    HG3  GLN   9           HG2      GLN   9   3.411   2.200   7.905
   69   HE21  GLN   9          HE22      GLN   9   2.067   0.404   8.302
   70   HE22  GLN   9          HE21      GLN   9   2.549  -0.972   9.170
   71    H    PHE  10           H        PHE  10   3.367   1.833   5.794
   72    HA   PHE  10           HA       PHE  10   2.020  -0.504   6.659
   73    HB2  PHE  10           HB3      PHE  10   0.951   1.558   5.707
   74    HB3  PHE  10           HB2      PHE  10   1.498   1.051   4.111
   75    HD1  PHE  10           HD1      PHE  10   0.524  -0.910   3.010
   76    HD2  PHE  10           HD2      PHE  10  -0.811   0.374   6.885
   77    HE1  PHE  10           HE1      PHE  10  -1.489  -2.342   2.792
   78    HE2  PHE  10           HE2      PHE  10  -2.821  -1.059   6.669
   79    HZ   PHE  10           HZ       PHE  10  -3.161  -2.413   4.621
   80    H    VAL  11           H        VAL  11   3.520   0.137   3.470
   81    HA   VAL  11           HA       VAL  11   3.082  -2.591   2.582
   82    HB   VAL  11           HB       VAL  11   3.278  -0.628   1.039
   83   HG11  VAL  11          HG11      VAL  11   6.252  -0.852   1.543
   84   HG12  VAL  11          HG12      VAL  11   5.244   0.347   2.353
   85   HG13  VAL  11          HG13      VAL  11   5.401   0.369   0.597
   86   HG21  VAL  11          HG21      VAL  11   3.587  -2.938   0.224
   87   HG22  VAL  11          HG22      VAL  11   5.301  -2.855   0.631
   88   HG23  VAL  11          HG23      VAL  11   4.645  -1.824  -0.640
   89    H    VAL  12           H        VAL  12   5.964  -0.809   3.709
   90    HA   VAL  12           HA       VAL  12   7.799  -2.967   3.388
   91    HB   VAL  12           HB       VAL  12   7.836  -0.588   5.237
   92   HG11  VAL  12          HG11      VAL  12  10.431  -1.275   4.981
   93   HG12  VAL  12          HG12      VAL  12   9.701  -2.879   4.898
   94   HG13  VAL  12          HG13      VAL  12   9.423  -1.855   6.307
   95   HG21  VAL  12          HG21      VAL  12   9.580   0.145   3.532
   96   HG22  VAL  12          HG22      VAL  12   7.923   0.076   2.931
   97   HG23  VAL  12          HG23      VAL  12   9.057  -1.216   2.540
   98    H    GLU  13           H        GLU  13   5.762  -2.065   6.147
   99    HA   GLU  13           HA       GLU  13   6.911  -3.811   8.063
  100    HB2  GLU  13           HB3      GLU  13   5.212  -2.064   8.579
  101    HB3  GLU  13           HB2      GLU  13   3.993  -3.072   7.809
  102    HG2  GLU  13           HG3      GLU  13   4.559  -4.901   9.421
  103    HG3  GLU  13           HG2      GLU  13   5.641  -3.775  10.237
  104    H    GLU  14           H        GLU  14   4.630  -4.436   5.468
  105    HA   GLU  14           HA       GLU  14   3.784  -7.024   6.344
  106    HB2  GLU  14           HB3      GLU  14   2.640  -5.668   4.590
  107    HB3  GLU  14           HB2      GLU  14   3.985  -6.005   3.501
  108    HG2  GLU  14           HG3      GLU  14   3.559  -8.443   3.784
  109    HG3  GLU  14           HG2      GLU  14   2.155  -8.055   4.778
  110    H    PHE  15           H        PHE  15   6.588  -5.995   4.422
  111    HA   PHE  15           HA       PHE  15   7.358  -8.873   4.169
  112    HB2  PHE  15           HB3      PHE  15   8.567  -6.551   2.663
  113    HB3  PHE  15           HB2      PHE  15   8.640  -8.269   2.260
  114    HD1  PHE  15           HD2      PHE  15   6.582  -9.469   1.505
  115    HD2  PHE  15           HD1      PHE  15   6.655  -5.224   2.133
  116    HE1  PHE  15           HE2      PHE  15   4.460  -9.246   0.239
  117    HE2  PHE  15           HE1      PHE  15   4.532  -4.996   0.878
  118    HZ   PHE  15           HZ       PHE  15   3.434  -7.009  -0.069
  119    H    LEU  16           H        LEU  16   8.854  -5.680   4.894
  120    HA   LEU  16           HA       LEU  16  10.883  -7.193   6.503
  121    HB2  LEU  16           HB3      LEU  16  11.219  -5.215   4.361
  122    HB3  LEU  16           HB2      LEU  16  12.137  -4.836   5.819
  123    HG   LEU  16           HG       LEU  16  12.166  -7.552   4.476
  124   HD11  LEU  16          HD11      LEU  16  14.320  -6.924   3.540
  125   HD12  LEU  16          HD12      LEU  16  14.250  -5.353   4.338
  126   HD13  LEU  16          HD13      LEU  16  13.122  -5.732   3.037
  127   HD21  LEU  16          HD21      LEU  16  14.480  -6.894   6.046
  128   HD22  LEU  16          HD22      LEU  16  13.311  -8.188   6.309
  129   HD23  LEU  16          HD23      LEU  16  13.036  -6.596   7.015
  130    HA   PRO  17           HA       PRO  17   9.044  -4.078   9.314
  131    HB2  PRO  17           HB2      PRO  17   8.160  -5.874  11.196
  132    HB3  PRO  17           HB3      PRO  17   7.204  -5.350   9.802
  133    HG2  PRO  17           HG3      PRO  17   8.385  -7.930  10.330
  134    HG3  PRO  17           HG2      PRO  17   7.233  -7.460   9.076
  135    HD2  PRO  17           HD3      PRO  17  10.125  -7.843   8.845
  136    HD3  PRO  17           HD2      PRO  17   8.917  -7.641   7.558
  137    H    ASP  18           H        ASP  18  11.358  -6.641   9.724
  138    HA   ASP  18           HA       ASP  18  12.160  -5.918  12.425
  139    HB2  ASP  18           HB3      ASP  18  13.498  -7.561  10.270
  140    HB3  ASP  18           HB2      ASP  18  14.137  -7.375  11.899
  141    H    VAL  19           H        VAL  19  12.458  -4.415   9.494
  142    HA   VAL  19           HA       VAL  19  14.992  -3.037  10.285
  143    HB   VAL  19           HB       VAL  19  13.703  -3.183   7.539
  144   HG11  VAL  19          HG11      VAL  19  16.195  -2.463   7.020
  145   HG12  VAL  19          HG12      VAL  19  16.149  -1.874   8.681
  146   HG13  VAL  19          HG13      VAL  19  15.002  -1.253   7.493
  147   HG21  VAL  19          HG21      VAL  19  14.560  -5.383   8.281
  148   HG22  VAL  19          HG22      VAL  19  16.119  -4.647   8.653
  149   HG23  VAL  19          HG23      VAL  19  15.554  -4.720   6.984
  150    H    ALA  20           H        ALA  20  14.888  -0.732  10.416
  151    HA   ALA  20           HA       ALA  20  12.366   0.381  11.091
  152    HB1  ALA  20           HB1      ALA  20  14.019   1.723  11.934
  153    HB2  ALA  20           HB2      ALA  20  13.767   2.595  10.422
  154    HB3  ALA  20           HB3      ALA  20  15.089   1.436  10.562
  155    HA   PRO  21           HA       PRO  21  10.970   0.645   6.785
  156    HB2  PRO  21           HB2      PRO  21   8.562   1.962   7.527
  157    HB3  PRO  21           HB3      PRO  21   8.778   0.250   7.140
  158    HG2  PRO  21           HG3      PRO  21   8.313   1.473   9.689
  159    HG3  PRO  21           HG2      PRO  21   8.385  -0.244   9.273
  160    HD2  PRO  21           HD3      PRO  21  10.321   1.289  10.714
  161    HD3  PRO  21           HD2      PRO  21  10.419  -0.417  10.238
  162    H    ALA  22           H        ALA  22  10.886   3.325   9.080
  163    HA   ALA  22           HA       ALA  22  10.635   5.385   7.050
  164    HB1  ALA  22           HB1      ALA  22  11.954   6.366   9.404
  165    HB2  ALA  22           HB2      ALA  22  10.669   5.263   9.897
  166    HB3  ALA  22           HB3      ALA  22  10.295   6.655   8.880
  167    H    ASP  23           H        ASP  23  13.169   3.377   8.119
  168    HA   ASP  23           HA       ASP  23  15.291   5.250   7.253
  169    HB2  ASP  23           HB3      ASP  23  15.401   2.461   8.441
  170    HB3  ASP  23           HB2      ASP  23  16.823   3.403   7.990
  171    H    VAL  24           H        VAL  24  13.179   3.355   5.713
  172    HA   VAL  24           HA       VAL  24  15.141   2.207   3.791
  173    HB   VAL  24           HB       VAL  24  12.133   1.826   3.955
  174   HG11  VAL  24          HG11      VAL  24  14.079   1.206   1.941
  175   HG12  VAL  24          HG12      VAL  24  12.355   0.836   1.948
  176   HG13  VAL  24          HG13      VAL  24  13.504  -0.302   2.651
  177   HG21  VAL  24          HG21      VAL  24  13.764   0.945   5.850
  178   HG22  VAL  24          HG22      VAL  24  14.153  -0.282   4.645
  179   HG23  VAL  24          HG23      VAL  24  12.494  -0.099   5.213
  180    H    ASP  25           H        ASP  25  15.248   2.998   1.684
  181    HA   ASP  25           HA       ASP  25  14.307   5.658   1.202
  182    HB2  ASP  25           HB3      ASP  25  16.279   4.581   0.066
  183    HB3  ASP  25           HB2      ASP  25  15.143   3.614  -0.876
  184    H    VAL  26           H        VAL  26  12.055   5.748   1.469
  185    HA   VAL  26           HA       VAL  26  10.182   3.919   0.339
  186    HB   VAL  26           HB       VAL  26   8.513   5.591   0.797
  187   HG11  VAL  26          HG11      VAL  26  10.802   5.891   2.767
  188   HG12  VAL  26          HG12      VAL  26   9.606   4.596   2.778
  189   HG13  VAL  26          HG13      VAL  26   9.109   6.258   3.097
  190   HG21  VAL  26          HG21      VAL  26   9.326   7.948   1.412
  191   HG22  VAL  26          HG22      VAL  26   9.389   7.522  -0.298
  192   HG23  VAL  26          HG23      VAL  26  10.861   7.495   0.672
  193    H    ASP  27           H        ASP  27  12.379   5.623  -1.344
  194    HA   ASP  27           HA       ASP  27  10.597   6.487  -3.539
  195    HB2  ASP  27           HB3      ASP  27  13.610   6.600  -3.203
  196    HB3  ASP  27           HB2      ASP  27  12.742   7.219  -4.608
  197    H    LEU  28           H        LEU  28  11.442   3.589  -2.571
  198    HA   LEU  28           HA       LEU  28  12.596   2.500  -5.045
  199    HB2  LEU  28           HB3      LEU  28  13.149   1.572  -2.785
  200    HB3  LEU  28           HB2      LEU  28  11.478   1.035  -2.642
  201    HG   LEU  28           HG       LEU  28  11.796  -0.244  -4.800
  202   HD11  LEU  28          HD11      LEU  28  14.569  -0.630  -4.764
  203   HD12  LEU  28          HD12      LEU  28  14.366   1.117  -4.637
  204   HD13  LEU  28          HD13      LEU  28  13.650   0.243  -5.990
  205   HD21  LEU  28          HD21      LEU  28  13.706  -1.020  -2.576
  206   HD22  LEU  28          HD22      LEU  28  12.911  -2.105  -3.718
  207   HD23  LEU  28          HD23      LEU  28  11.960  -1.257  -2.499
  208    H    ASP  29           H        ASP  29  11.435   1.632  -6.695
  209    HA   ASP  29           HA       ASP  29   8.588   1.979  -6.782
  210    HB2  ASP  29           HB3      ASP  29   8.751   0.643  -8.906
  211    HB3  ASP  29           HB2      ASP  29   9.867   2.007  -8.847
  212    H    LEU  30           H        LEU  30   7.090   0.700  -5.832
  213    HA   LEU  30           HA       LEU  30   7.780  -1.719  -4.473
  214    HB2  LEU  30           HB3      LEU  30   5.024  -0.832  -5.392
  215    HB3  LEU  30           HB2      LEU  30   5.373  -2.006  -4.124
  216    HG   LEU  30           HG       LEU  30   6.077   0.942  -4.092
  217   HD11  LEU  30          HD11      LEU  30   3.808  -0.619  -3.187
  218   HD12  LEU  30          HD12      LEU  30   4.026   1.131  -3.176
  219   HD13  LEU  30          HD13      LEU  30   4.607   0.161  -1.822
  220   HD21  LEU  30          HD21      LEU  30   7.855  -0.005  -2.914
  221   HD22  LEU  30          HD22      LEU  30   6.896  -1.385  -2.378
  222   HD23  LEU  30          HD23      LEU  30   6.666   0.194  -1.626
  223    H    VAL  31           H        VAL  31   7.503  -1.141  -7.749
  224    HA   VAL  31           HA       VAL  31   6.080  -3.300  -8.814
  225    HB   VAL  31           HB       VAL  31   7.346  -1.448 -10.067
  226   HG11  VAL  31          HG11      VAL  31   9.629  -1.821 -10.633
  227   HG12  VAL  31          HG12      VAL  31   9.594  -3.469 -10.007
  228   HG13  VAL  31          HG13      VAL  31   9.535  -2.102  -8.894
  229   HG21  VAL  31          HG21      VAL  31   8.096  -3.479 -11.796
  230   HG22  VAL  31          HG22      VAL  31   6.479  -2.784 -11.684
  231   HG23  VAL  31          HG23      VAL  31   6.871  -4.254 -10.792
  232    H    ASP  32           H        ASP  32   9.355  -3.273  -7.454
  233    HA   ASP  32           HA       ASP  32  10.072  -5.947  -8.125
  234    HB2  ASP  32           HB3      ASP  32  10.786  -4.279  -5.690
  235    HB3  ASP  32           HB2      ASP  32  11.554  -5.814  -6.096
  236    H    ASN  33           H        ASN  33   8.174  -4.581  -5.497
  237    HA   ASN  33           HA       ASN  33   7.653  -7.236  -4.332
  238    HB2  ASN  33           HB3      ASN  33   6.581  -4.509  -3.580
  239    HB3  ASN  33           HB2      ASN  33   6.365  -5.989  -2.648
  240   HD21  ASN  33          HD22      ASN  33   8.515  -3.348  -3.260
  241   HD22  ASN  33          HD21      ASN  33   9.809  -3.900  -2.311
  242    H    GLY  34           H        GLY  34   6.706  -6.065  -7.061
  243    HA2  GLY  34           HA3      GLY  34   4.006  -5.582  -7.236
  244    HA3  GLY  34           HA2      GLY  34   4.841  -6.606  -8.406
  245    H    VAL  35           H        VAL  35   5.458  -8.428  -5.944
  246    HA   VAL  35           HA       VAL  35   3.502 -10.394  -6.420
  247    HB   VAL  35           HB       VAL  35   5.698 -10.564  -5.063
  248   HG11  VAL  35          HG11      VAL  35   5.605 -10.105  -2.749
  249   HG12  VAL  35          HG12      VAL  35   3.844 -10.007  -2.755
  250   HG13  VAL  35          HG13      VAL  35   4.800  -8.721  -3.487
  251   HG21  VAL  35          HG21      VAL  35   3.110 -11.954  -4.704
  252   HG22  VAL  35          HG22      VAL  35   4.276 -12.212  -3.407
  253   HG23  VAL  35          HG23      VAL  35   4.703 -12.619  -5.069
  254    H    ILE  36           H        ILE  36   3.478  -7.654  -4.216
  255    HA   ILE  36           HA       ILE  36   1.049  -8.383  -2.828
  256    HB   ILE  36           HB       ILE  36   2.923  -6.623  -2.240
  257   HG12  ILE  36          HG13      ILE  36  -0.032  -6.110  -1.778
  258   HG13  ILE  36          HG12      ILE  36   0.999  -7.160  -0.809
  259   HG21  ILE  36          HG21      ILE  36   0.897  -4.787  -3.511
  260   HG22  ILE  36          HG22      ILE  36   2.288  -5.372  -4.425
  261   HG23  ILE  36          HG23      ILE  36   2.533  -4.413  -2.966
  262   HD11  ILE  36          HD11      ILE  36   0.977  -4.169  -0.978
  263   HD12  ILE  36          HD12      ILE  36   2.487  -4.992  -0.590
  264   HD13  ILE  36          HD13      ILE  36   1.076  -5.204   0.445
  265    H    ASP  37           H        ASP  37   1.749  -6.813  -5.845
  266    HA   ASP  37           HA       ASP  37  -0.600  -5.296  -6.215
  267    HB2  ASP  37           HB3      ASP  37   1.064  -6.763  -8.275
  268    HB3  ASP  37           HB2      ASP  37  -0.164  -5.559  -8.654
  269    H    SER  38           H        SER  38  -0.123  -8.784  -6.611
  270    HA   SER  38           HA       SER  38  -2.972  -8.961  -7.503
  271    HB2  SER  38           2HB      SER  38  -0.610 -10.775  -7.975
  272    HB3  SER  38           1HB      SER  38  -2.268 -11.278  -8.293
  273    H    LEU  39           H        LEU  39  -0.689 -11.118  -5.775
  274    HA   LEU  39           HA       LEU  39  -2.793 -12.484  -4.405
  275    HB2  LEU  39           HB3      LEU  39   0.161 -12.276  -3.855
  276    HB3  LEU  39           HB2      LEU  39  -0.911 -13.300  -2.910
  277    HG   LEU  39           HG       LEU  39  -1.642 -14.222  -5.256
  278   HD11  LEU  39          HD11      LEU  39  -0.460 -12.675  -6.673
  279   HD12  LEU  39          HD12      LEU  39   0.345 -14.236  -6.820
  280   HD13  LEU  39          HD13      LEU  39   1.056 -12.970  -5.822
  281   HD21  LEU  39          HD21      LEU  39  -0.620 -15.712  -3.744
  282   HD22  LEU  39          HD22      LEU  39   0.899 -14.816  -3.752
  283   HD23  LEU  39          HD23      LEU  39   0.433 -15.773  -5.158
  284    H    GLY  40           H        GLY  40  -0.494 -10.031  -3.225
  285    HA2  GLY  40           HA3      GLY  40  -1.774  -9.820  -0.648
  286    HA3  GLY  40           HA2      GLY  40  -0.608  -8.679  -1.310
  287    H    LEU  41           H        LEU  41  -2.030  -8.015  -3.682
  288    HA   LEU  41           HA       LEU  41  -3.673  -5.899  -2.752
  289    HB2  LEU  41           HB3      LEU  41  -2.607  -6.048  -5.031
  290    HB3  LEU  41           HB2      LEU  41  -3.836  -7.236  -5.465
  291    HG   LEU  41           HG       LEU  41  -5.507  -5.386  -4.616
  292   HD11  LEU  41          HD11      LEU  41  -4.616  -3.108  -5.134
  293   HD12  LEU  41          HD12      LEU  41  -3.008  -3.814  -5.296
  294   HD13  LEU  41          HD13      LEU  41  -3.836  -3.852  -3.739
  295   HD21  LEU  41          HD21      LEU  41  -3.994  -5.146  -7.236
  296   HD22  LEU  41          HD22      LEU  41  -5.593  -4.475  -6.913
  297   HD23  LEU  41          HD23      LEU  41  -5.357  -6.223  -6.934
  298    H    LEU  42           H        LEU  42  -4.545  -9.120  -3.989
  299    HA   LEU  42           HA       LEU  42  -7.364  -8.749  -3.935
  300    HB2  LEU  42           HB3      LEU  42  -6.166 -10.726  -4.936
  301    HB3  LEU  42           HB2      LEU  42  -5.879 -11.314  -3.305
  302    HG   LEU  42           HG       LEU  42  -8.465 -11.033  -3.021
  303   HD11  LEU  42          HD11      LEU  42  -8.243 -10.065  -5.570
  304   HD12  LEU  42          HD12      LEU  42  -9.724 -10.733  -4.888
  305   HD13  LEU  42          HD13      LEU  42  -8.670 -11.748  -5.872
  306   HD21  LEU  42          HD21      LEU  42  -8.771 -13.340  -4.012
  307   HD22  LEU  42          HD22      LEU  42  -7.396 -13.200  -2.917
  308   HD23  LEU  42          HD23      LEU  42  -7.137 -13.210  -4.661
  309    H    LYS  43           H        LYS  43  -5.131  -9.885  -1.402
  310    HA   LYS  43           HA       LYS  43  -7.180 -10.270   0.580
  311    HB2  LYS  43           HB3      LYS  43  -4.215  -9.751   0.852
  312    HB3  LYS  43           HB2      LYS  43  -5.266 -10.238   2.177
  313    HG2  LYS  43           HG3      LYS  43  -5.884 -12.282   0.883
  314    HG3  LYS  43           HG2      LYS  43  -4.718 -11.812  -0.354
  315    HD2  LYS  43           HD3      LYS  43  -2.926 -11.832   1.387
  316    HD3  LYS  43           HD2      LYS  43  -4.108 -12.432   2.550
  317    HE2  LYS  43           HE3      LYS  43  -3.279 -14.455   1.831
  318    HE3  LYS  43           HE2      LYS  43  -4.524 -14.227   0.603
  319    HZ1  LYS  43           HZ1      LYS  43  -2.627 -14.699  -0.615
  320    HZ2  LYS  43           HZ2      LYS  43  -1.616 -13.780   0.389
  321    HZ3  LYS  43           HZ3      LYS  43  -2.694 -13.002  -0.670
  322    H    VAL  44           H        VAL  44  -5.169  -7.527  -0.367
  323    HA   VAL  44           HA       VAL  44  -5.808  -5.839   1.857
  324    HB   VAL  44           HB       VAL  44  -4.986  -5.146  -0.973
  325   HG11  VAL  44          HG11      VAL  44  -5.153  -3.471   1.547
  326   HG12  VAL  44          HG12      VAL  44  -6.026  -3.208   0.037
  327   HG13  VAL  44          HG13      VAL  44  -4.279  -2.977   0.097
  328   HG21  VAL  44          HG21      VAL  44  -3.581  -6.462   1.006
  329   HG22  VAL  44          HG22      VAL  44  -3.115  -4.780   1.267
  330   HG23  VAL  44          HG23      VAL  44  -2.851  -5.535  -0.305
  331    H    ILE  45           H        ILE  45  -7.289  -6.028  -1.408
  332    HA   ILE  45           HA       ILE  45  -9.163  -3.940  -0.979
  333    HB   ILE  45           HB       ILE  45  -9.476  -6.427  -2.687
  334   HG12  ILE  45          HG13      ILE  45  -7.466  -5.226  -3.335
  335   HG13  ILE  45          HG12      ILE  45  -8.716  -4.882  -4.524
  336   HG21  ILE  45          HG21      ILE  45 -11.054  -3.943  -2.305
  337   HG22  ILE  45          HG22      ILE  45 -11.587  -5.558  -2.770
  338   HG23  ILE  45          HG23      ILE  45 -10.841  -4.497  -3.965
  339   HD11  ILE  45          HD11      ILE  45  -7.875  -2.750  -4.096
  340   HD12  ILE  45          HD12      ILE  45  -7.584  -3.097  -2.391
  341   HD13  ILE  45          HD13      ILE  45  -9.229  -2.825  -2.969
  342    H    ALA  46           H        ALA  46  -9.438  -7.440  -0.346
  343    HA   ALA  46           HA       ALA  46 -12.170  -7.327   0.528
  344    HB1  ALA  46           HB1      ALA  46  -9.906  -9.263   0.804
  345    HB2  ALA  46           HB2      ALA  46 -11.503  -9.502   0.093
  346    HB3  ALA  46           HB3      ALA  46 -11.313  -9.473   1.846
  347    H    TRP  47           H        TRP  47  -9.092  -7.188   2.337
  348    HA   TRP  47           HA       TRP  47 -10.483  -6.820   4.876
  349    HB2  TRP  47           HB3      TRP  47  -8.455  -7.815   5.278
  350    HB3  TRP  47           HB2      TRP  47  -7.651  -6.944   3.971
  351    HD1  TRP  47           HD1      TRP  47  -9.608  -5.515   6.993
  352    HE1  TRP  47           HE1      TRP  47  -8.046  -3.878   8.234
  353    HE3  TRP  47           HE3      TRP  47  -5.375  -6.133   4.258
  354    HZ2  TRP  47           HZ2      TRP  47  -5.331  -2.961   8.080
  355    HZ3  TRP  47           HZ3      TRP  47  -3.304  -4.879   4.811
  356    HH2  TRP  47           HH2      TRP  47  -3.280  -3.295   6.719
  357    H    LEU  48           H        LEU  48  -8.499  -4.745   2.772
  358    HA   LEU  48           HA       LEU  48  -8.723  -2.375   4.298
  359    HB2  LEU  48           HB3      LEU  48  -7.185  -2.774   2.328
  360    HB3  LEU  48           HB2      LEU  48  -8.572  -2.521   1.284
  361    HG   LEU  48           HG       LEU  48  -8.903  -0.304   2.511
  362   HD11  LEU  48          HD11      LEU  48  -6.109   0.023   3.086
  363   HD12  LEU  48          HD12      LEU  48  -6.726  -1.356   3.993
  364   HD13  LEU  48          HD13      LEU  48  -7.483   0.225   4.170
  365   HD21  LEU  48          HD21      LEU  48  -6.538   0.412   1.230
  366   HD22  LEU  48          HD22      LEU  48  -8.123   0.279   0.468
  367   HD23  LEU  48          HD23      LEU  48  -7.008  -1.087   0.429
  368    H    GLU  49           H        GLU  49 -10.860  -3.615   1.706
  369    HA   GLU  49           HA       GLU  49 -12.545  -1.301   1.651
  370    HB2  GLU  49           HB3      GLU  49 -14.101  -2.664   0.423
  371    HB3  GLU  49           HB2      GLU  49 -12.488  -3.143  -0.089
  372    HG2  GLU  49           HG3      GLU  49 -13.391  -5.224   0.322
  373    HG3  GLU  49           HG2      GLU  49 -12.763  -4.848   1.922
  374    H    ASP  50           H        ASP  50 -12.600  -4.280   3.572
  375    HA   ASP  50           HA       ASP  50 -15.112  -3.738   4.869
  376    HB2  ASP  50           HB3      ASP  50 -13.894  -5.963   4.817
  377    HB3  ASP  50           HB2      ASP  50 -12.786  -5.289   6.010
  378    H    ARG  51           H        ARG  51 -11.764  -2.889   5.550
  379    HA   ARG  51           HA       ARG  51 -12.080  -1.881   8.178
  380    HB2  ARG  51           HB3      ARG  51  -9.896  -2.277   7.084
  381    HB3  ARG  51           HB2      ARG  51 -10.195  -0.906   6.016
  382    HG2  ARG  51           HG3      ARG  51 -10.346   0.585   7.988
  383    HG3  ARG  51           HG2      ARG  51 -10.004  -0.788   9.040
  384    HD2  ARG  51           HD3      ARG  51  -7.836  -1.119   7.903
  385    HD3  ARG  51           HD2      ARG  51  -8.174   0.263   6.862
  386    HE   ARG  51           HE       ARG  51  -7.721   1.711   8.697
  387   HH11  ARG  51          HH22      ARG  51  -7.900  -1.614   9.594
  388   HH12  ARG  51          HH21      ARG  51  -7.249  -1.357  11.178
  389   HH21  ARG  51          HH11      ARG  51  -6.870   2.064  10.757
  390   HH22  ARG  51          HH12      ARG  51  -6.665   0.725  11.837
  391    H    PHE  52           H        PHE  52 -12.392  -0.139   5.047
  392    HA   PHE  52           HA       PHE  52 -13.646   2.095   6.593
  393    HB2  PHE  52           HB3      PHE  52 -11.913   2.091   4.130
  394    HB3  PHE  52           HB2      PHE  52 -12.948   3.458   4.526
  395    HD1  PHE  52           HD2      PHE  52 -12.695   4.580   6.790
  396    HD2  PHE  52           HD1      PHE  52  -9.854   1.739   5.269
  397    HE1  PHE  52           HE2      PHE  52 -11.015   5.384   8.427
  398    HE2  PHE  52           HE1      PHE  52  -8.174   2.544   6.907
  399    HZ   PHE  52           HZ       PHE  52  -8.756   4.365   8.487
  400    H    GLY  53           H        GLY  53 -14.377  -0.399   4.496
  401    HA2  GLY  53           HA3      GLY  53 -16.375  -0.848   3.325
  402    HA3  GLY  53           HA2      GLY  53 -17.025   0.651   3.992
  403    H    ILE  54           H        ILE  54 -14.117   0.227   1.986
  404    HA   ILE  54           HA       ILE  54 -15.238   2.250   0.117
  405    HB   ILE  54           HB       ILE  54 -12.431   1.117   0.314
  406   HG12  ILE  54          HG13      ILE  54 -13.461   3.811   1.245
  407   HG13  ILE  54          HG12      ILE  54 -13.273   2.427   2.322
  408   HG21  ILE  54          HG21      ILE  54 -13.586   3.492  -1.180
  409   HG22  ILE  54          HG22      ILE  54 -12.942   2.018  -1.903
  410   HG23  ILE  54          HG23      ILE  54 -11.866   3.126  -1.051
  411   HD11  ILE  54          HD11      ILE  54 -11.026   3.525   0.616
  412   HD12  ILE  54          HD12      ILE  54 -10.904   2.326   1.904
  413   HD13  ILE  54          HD13      ILE  54 -11.296   4.001   2.292
  414    H    ALA  55           H        ALA  55 -15.565   1.792  -2.063
  415    HA   ALA  55           HA       ALA  55 -16.111  -0.907  -2.816
  416    HB1  ALA  55           HB1      ALA  55 -17.268   0.740  -4.047
  417    HB2  ALA  55           HB2      ALA  55 -16.076   0.130  -5.195
  418    HB3  ALA  55           HB3      ALA  55 -15.798   1.661  -4.365
  419    H    ALA  56           H        ALA  56 -14.936  -2.342  -4.148
  420    HA   ALA  56           HA       ALA  56 -12.104  -2.368  -3.824
  421    HB1  ALA  56           HB1      ALA  56 -13.114  -4.467  -4.223
  422    HB2  ALA  56           HB2      ALA  56 -12.255  -4.122  -5.724
  423    HB3  ALA  56           HB3      ALA  56 -13.998  -3.871  -5.628
  424    H    ASP  57           H        ASP  57 -14.158  -1.047  -6.354
  425    HA   ASP  57           HA       ASP  57 -13.621   0.200  -8.268
  426    HB2  ASP  57           HB3      ASP  57 -11.177   0.776  -6.583
  427    HB3  ASP  57           HB2      ASP  57 -11.599   1.647  -8.054
  428    H    ASP  58           H        ASP  58 -13.107  -2.507  -8.537
  429    HA   ASP  58           HA       ASP  58 -10.386  -2.800  -9.648
  430    HB2  ASP  58           HB3      ASP  58 -10.990  -5.150  -9.952
  431    HB3  ASP  58           HB2      ASP  58 -11.412  -4.639  -8.318
  432    H    VAL  59           H        VAL  59 -12.827  -1.194 -10.820
  433    HA   VAL  59           HA       VAL  59 -13.665  -2.363 -13.234
  434    HB   VAL  59           HB       VAL  59 -13.086   0.521 -12.563
  435   HG11  VAL  59          HG11      VAL  59 -14.297  -0.737 -15.029
  436   HG12  VAL  59          HG12      VAL  59 -12.975   0.427 -14.942
  437   HG13  VAL  59          HG13      VAL  59 -14.624   0.935 -14.573
  438   HG21  VAL  59          HG21      VAL  59 -15.838  -0.368 -13.055
  439   HG22  VAL  59          HG22      VAL  59 -15.187   0.563 -11.707
  440   HG23  VAL  59          HG23      VAL  59 -15.077  -1.197 -11.698
  441    H    GLU  60           H        GLU  60 -10.686  -0.538 -12.562
  442    HA   GLU  60           HA       GLU  60  -9.376  -1.909 -14.797
  443    HB2  GLU  60           HB3      GLU  60 -10.471  -0.023 -15.946
  444    HB3  GLU  60           HB2      GLU  60  -9.688   1.103 -14.844
  445    HG2  GLU  60           HG3      GLU  60  -7.490   0.350 -15.612
  446    HG3  GLU  60           HG2      GLU  60  -8.255  -0.804 -16.692
  447    H    LEU  61           H        LEU  61  -7.724  -2.629 -13.496
  448    HA   LEU  61           HA       LEU  61  -6.191  -0.568 -11.973
  449    HB2  LEU  61           HB3      LEU  61  -6.195  -3.564 -11.524
  450    HB3  LEU  61           HB2      LEU  61  -5.482  -2.335 -10.484
  451    HG   LEU  61           HG       LEU  61  -8.418  -2.751 -11.053
  452   HD11  LEU  61          HD11      LEU  61  -6.632  -3.097  -8.648
  453   HD12  LEU  61          HD12      LEU  61  -7.731  -4.270  -9.377
  454   HD13  LEU  61          HD13      LEU  61  -8.376  -2.897  -8.476
  455   HD21  LEU  61          HD21      LEU  61  -6.908  -0.467  -9.809
  456   HD22  LEU  61          HD22      LEU  61  -8.533  -0.854  -9.244
  457   HD23  LEU  61          HD23      LEU  61  -8.267  -0.418 -10.931
  458    H    SER  62           H        SER  62  -3.973  -0.406 -12.381
  459    HA   SER  62           HA       SER  62  -2.801  -2.355 -14.300
  460    HB2  SER  62           HB3      SER  62  -3.390   0.437 -14.801
  461    HB3  SER  62           HB2      SER  62  -1.658   0.140 -14.921
  462    HG   SER  62           HG       SER  62  -3.515  -0.434 -16.687
  463    HA   PRO  63           HA       PRO  63   0.719  -2.387 -11.664
  464    HB2  PRO  63           HB2      PRO  63   2.784  -2.298 -13.518
  465    HB3  PRO  63           HB3      PRO  63   1.882  -3.758 -13.074
  466    HG2  PRO  63           HG3      PRO  63   1.591  -1.998 -15.445
  467    HG3  PRO  63           HG2      PRO  63   1.403  -3.754 -15.306
  468    HD2  PRO  63           HD3      PRO  63  -0.728  -2.066 -15.466
  469    HD3  PRO  63           HD2      PRO  63  -0.787  -3.599 -14.568
  470    H    GLU  64           H        GLU  64   0.448   0.190 -14.008
  471    HA   GLU  64           HA       GLU  64   2.660   1.793 -13.214
  472    HB2  GLU  64           HB3      GLU  64  -0.049   2.615 -14.268
  473    HB3  GLU  64           HB2      GLU  64   1.338   3.688 -14.147
  474    HG2  GLU  64           HG3      GLU  64   2.616   2.156 -15.613
  475    HG3  GLU  64           HG2      GLU  64   1.182   1.151 -15.780
  476    H    HIS  65           H        HIS  65  -0.508   1.310 -11.788
  477    HA   HIS  65           HA       HIS  65  -0.451   3.583 -10.026
  478    HB2  HIS  65           HB3      HIS  65  -2.519   2.322 -10.537
  479    HB3  HIS  65           HB2      HIS  65  -1.866   0.920  -9.688
  480    HD1  HIS  65           HD1      HIS  65  -2.454   4.620  -8.907
  481    HD2  HIS  65           HD2      HIS  65  -2.633   0.892  -7.043
  482    HE1  HIS  65           HE1      HIS  65  -3.283   5.035  -6.549
  483    HE2  HIS  65           HE2      HIS  65  -3.397   2.774  -5.406
  484    H    PHE  66           H        PHE  66   0.995   0.399  -9.886
  485    HA   PHE  66           HA       PHE  66   1.794   0.869  -7.053
  486    HB2  PHE  66           HB3      PHE  66   2.087  -1.616  -8.769
  487    HB3  PHE  66           HB2      PHE  66   2.430  -1.499  -7.043
  488    HD1  PHE  66           HD1      PHE  66   0.587  -1.104  -5.417
  489    HD2  PHE  66           HD2      PHE  66  -0.169  -1.755  -9.595
  490    HE1  PHE  66           HE1      PHE  66  -1.802  -1.548  -4.916
  491    HE2  PHE  66           HE2      PHE  66  -2.556  -2.200  -9.095
  492    HZ   PHE  66           HZ       PHE  66  -3.373  -2.095  -6.757
  493    H    ARG  67           H        ARG  67   2.938   1.731  -9.958
  494    HA   ARG  67           HA       ARG  67   5.583   0.767 -10.128
  495    HB2  ARG  67           HB3      ARG  67   4.449   2.189 -11.848
  496    HB3  ARG  67           HB2      ARG  67   4.641   3.577 -10.783
  497    HG2  ARG  67           HG3      ARG  67   6.504   3.761 -12.189
  498    HG3  ARG  67           HG2      ARG  67   7.169   2.912 -10.798
  499    HD2  ARG  67           HD3      ARG  67   6.859   0.753 -11.961
  500    HD3  ARG  67           HD2      ARG  67   6.190   1.603 -13.351
  501    HE   ARG  67           HE       ARG  67   8.628   2.807 -13.068
  502   HH11  ARG  67          HH22      ARG  67   7.550  -0.468 -13.082
  503   HH12  ARG  67          HH21      ARG  67   9.021  -1.089 -13.754
  504   HH21  ARG  67          HH11      ARG  67  10.555   2.015 -13.945
  505   HH22  ARG  67          HH12      ARG  67  10.723   0.317 -14.242
  506    H    SER  68           H        SER  68   4.277   3.452  -8.184
  507    HA   SER  68           HA       SER  68   6.738   3.296  -6.530
  508    HB2  SER  68           HB3      SER  68   7.093   5.690  -6.581
  509    HB3  SER  68           HB2      SER  68   7.051   5.108  -8.243
  510    HG   SER  68           HG       SER  68   4.919   5.812  -8.386
  511    H    ILE  69           H        ILE  69   6.437   4.161  -4.381
  512    HA   ILE  69           HA       ILE  69   3.841   3.701  -3.276
  513    HB   ILE  69           HB       ILE  69   6.202   5.195  -2.097
  514   HG12  ILE  69          HG13      ILE  69   5.411   2.297  -1.784
  515   HG13  ILE  69          HG12      ILE  69   6.657   2.852  -2.892
  516   HG21  ILE  69          HG21      ILE  69   4.801   5.552  -0.382
  517   HG22  ILE  69          HG22      ILE  69   4.775   3.806  -0.141
  518   HG23  ILE  69          HG23      ILE  69   3.545   4.576  -1.141
  519   HD11  ILE  69          HD11      ILE  69   7.067   4.001  -0.273
  520   HD12  ILE  69          HD12      ILE  69   8.162   2.999  -1.225
  521   HD13  ILE  69          HD13      ILE  69   6.974   2.244  -0.162
  522    H    ARG  70           H        ARG  70   5.562   6.648  -4.230
  523    HA   ARG  70           HA       ARG  70   3.783   8.536  -3.062
  524    HB2  ARG  70           HB3      ARG  70   5.460   8.739  -5.579
  525    HB3  ARG  70           HB2      ARG  70   4.676  10.106  -4.786
  526    HG2  ARG  70           HG3      ARG  70   5.933   9.562  -2.697
  527    HG3  ARG  70           HG2      ARG  70   6.785   8.293  -3.579
  528    HD2  ARG  70           HD3      ARG  70   6.814  11.254  -4.236
  529    HD3  ARG  70           HD2      ARG  70   8.146  10.327  -3.546
  530    HE   ARG  70           HE       ARG  70   7.213   9.229  -6.075
  531   HH11  ARG  70          HH22      ARG  70   9.178  11.580  -4.497
  532   HH12  ARG  70          HH21      ARG  70  10.289  11.732  -5.817
  533   HH21  ARG  70          HH11      ARG  70   8.651   9.414  -7.810
  534   HH22  ARG  70          HH12      ARG  70   9.991  10.506  -7.693
  535    H    SER  71           H        SER  71   3.641   6.851  -6.196
  536    HA   SER  71           HA       SER  71   1.498   8.350  -7.314
  537    HB2  SER  71           HB3      SER  71   2.881   6.621  -8.521
  538    HB3  SER  71           HB2      SER  71   1.977   5.377  -7.664
  539    HG   SER  71           HG       SER  71   1.306   6.614  -9.881
  540    H    ILE  72           H        ILE  72   1.428   5.410  -5.286
  541    HA   ILE  72           HA       ILE  72  -1.437   5.232  -5.210
  542    HB   ILE  72           HB       ILE  72   0.633   4.192  -3.252
  543   HG12  ILE  72          HG13      ILE  72  -0.707   2.820  -5.605
  544   HG13  ILE  72          HG12      ILE  72   0.943   3.444  -5.623
  545   HG21  ILE  72          HG21      ILE  72  -1.149   2.554  -2.698
  546   HG22  ILE  72          HG22      ILE  72  -2.250   3.422  -3.767
  547   HG23  ILE  72          HG23      ILE  72  -1.625   4.209  -2.319
  548   HD11  ILE  72          HD11      ILE  72  -0.032   0.942  -4.558
  549   HD12  ILE  72          HD12      ILE  72   0.734   1.884  -3.279
  550   HD13  ILE  72          HD13      ILE  72   1.633   1.491  -4.744
  551    H    ASP  73           H        ASP  73   0.978   6.784  -3.129
  552    HA   ASP  73           HA       ASP  73  -0.698   7.489  -0.967
  553    HB2  ASP  73           HB3      ASP  73   1.798   7.772  -1.061
  554    HB3  ASP  73           HB2      ASP  73   1.549   9.176  -2.099
  555    H    ALA  74           H        ALA  74  -0.143   9.205  -4.043
  556    HA   ALA  74           HA       ALA  74  -1.711  11.502  -3.342
  557    HB1  ALA  74           HB1      ALA  74  -1.748  11.962  -5.763
  558    HB2  ALA  74           HB2      ALA  74  -1.157  10.332  -6.085
  559    HB3  ALA  74           HB3      ALA  74  -0.130  11.492  -5.243
  560    H    PHE  75           H        PHE  75  -2.540   8.469  -5.003
  561    HA   PHE  75           HA       PHE  75  -5.246   9.168  -5.593
  562    HB2  PHE  75           HB3      PHE  75  -4.035   7.193  -6.539
  563    HB3  PHE  75           HB2      PHE  75  -4.165   6.418  -4.962
  564    HD1  PHE  75           HD1      PHE  75  -6.081   7.700  -7.859
  565    HD2  PHE  75           HD2      PHE  75  -6.250   5.505  -4.170
  566    HE1  PHE  75           HE1      PHE  75  -8.371   6.931  -8.422
  567    HE2  PHE  75           HE2      PHE  75  -8.539   4.735  -4.733
  568    HZ   PHE  75           HZ       PHE  75  -9.599   5.448  -6.859
  569    H    VAL  76           H        VAL  76  -3.852   7.405  -2.812
  570    HA   VAL  76           HA       VAL  76  -6.346   7.126  -1.432
  571    HB   VAL  76           HB       VAL  76  -3.472   7.091  -0.476
  572   HG11  VAL  76          HG11      VAL  76  -4.602   5.859   1.504
  573   HG12  VAL  76          HG12      VAL  76  -6.078   6.662   0.968
  574   HG13  VAL  76          HG13      VAL  76  -4.684   7.619   1.468
  575   HG21  VAL  76          HG21      VAL  76  -5.405   4.782  -0.676
  576   HG22  VAL  76          HG22      VAL  76  -3.642   4.740  -0.628
  577   HG23  VAL  76          HG23      VAL  76  -4.471   5.303  -2.079
  578    H    VAL  77           H        VAL  77  -3.688   9.516  -1.109
  579    HA   VAL  77           HA       VAL  77  -4.890  11.011   0.994
  580    HB   VAL  77           HB       VAL  77  -2.951  11.766  -1.201
  581   HG11  VAL  77          HG11      VAL  77  -4.087  13.399   1.070
  582   HG12  VAL  77          HG12      VAL  77  -4.013  13.818  -0.641
  583   HG13  VAL  77          HG13      VAL  77  -2.537  13.782   0.322
  584   HG21  VAL  77          HG21      VAL  77  -2.462  11.601   1.773
  585   HG22  VAL  77          HG22      VAL  77  -1.292  11.493   0.458
  586   HG23  VAL  77          HG23      VAL  77  -2.398  10.154   0.765
  587    H    GLY  78           H        GLY  78  -5.208  11.215  -2.528
  588    HA2  GLY  78           HA3      GLY  78  -6.696  13.617  -2.675
  589    HA3  GLY  78           HA2      GLY  78  -6.816  12.300  -3.841
  590    H    ALA  79           H        ALA  79  -7.722  10.336  -1.822
  591    HA   ALA  79           HA       ALA  79 -10.525  11.326  -1.608
  592    HB1  ALA  79           HB1      ALA  79  -9.770   8.456  -1.209
  593    HB2  ALA  79           HB2      ALA  79  -9.776   9.119  -2.843
  594    HB3  ALA  79           HB3      ALA  79 -11.253   9.138  -1.878
  595    H    THR  80           H        THR  80  -8.175   9.376   0.254
  596    HA   THR  80           HA       THR  80  -9.006  10.711   2.720
  597    HB   THR  80           HB       THR  80 -10.741   8.892   2.303
  598    HG1  THR  80           HG1      THR  80  -9.277   9.447   4.509
  599   HG21  THR  80          HG21      THR  80  -8.568   7.361   1.648
  600   HG22  THR  80          HG22      THR  80 -10.146   6.712   2.094
  601   HG23  THR  80          HG23      THR  80  -8.873   6.846   3.306
  602    H    THR  81           H        THR  81  -7.500  10.348   4.417
  603    HA   THR  81           HA       THR  81  -5.153   8.646   3.709
  604    HB   THR  81           HB       THR  81  -4.455  10.899   3.294
  605    HG1  THR  81           HG1      THR  81  -2.901  11.144   4.934
  606   HG21  THR  81          HG21      THR  81  -5.728  12.512   4.225
  607   HG22  THR  81          HG22      THR  81  -4.735  12.312   5.670
  608   HG23  THR  81          HG23      THR  81  -6.264  11.444   5.523
  609    HA   PRO  82           HA       PRO  82  -6.541   7.574   7.953
  610    HB2  PRO  82           HB2      PRO  82  -6.712   4.921   7.631
  611    HB3  PRO  82           HB3      PRO  82  -7.953   6.009   6.976
  612    HG2  PRO  82           HG3      PRO  82  -5.750   4.588   5.578
  613    HG3  PRO  82           HG2      PRO  82  -7.393   4.952   5.024
  614    HD2  PRO  82           HD3      PRO  82  -5.068   6.416   4.378
  615    HD3  PRO  82           HD2      PRO  82  -6.744   6.949   4.122
  616    HA   PRO  83           HA       PRO  83  -2.181   6.402   8.778
  617    HB2  PRO  83           HB2      PRO  83  -1.945   7.633  11.180
  618    HB3  PRO  83           HB3      PRO  83  -1.854   8.525   9.649
  619    HG2  PRO  83           HG3      PRO  83  -4.076   8.339  11.602
  620    HG3  PRO  83           HG2      PRO  83  -3.577   9.695  10.580
  621    HD2  PRO  83           HD3      PRO  83  -5.714   7.963  10.043
  622    HD3  PRO  83           HD2      PRO  83  -4.935   9.037   8.861
  623    H    VAL  84           H        VAL  84  -1.483   4.553   9.868
  624    HA   VAL  84           HA       VAL  84  -3.173   3.577  12.136
  625    HB   VAL  84           HB       VAL  84  -3.004   1.299  11.289
  626   HG11  VAL  84          HG11      VAL  84  -4.861   2.714  10.461
  627   HG12  VAL  84          HG12      VAL  84  -4.362   1.532   9.251
  628   HG13  VAL  84          HG13      VAL  84  -3.861   3.216   9.098
  629   HG21  VAL  84          HG21      VAL  84  -1.400   2.580   9.054
  630   HG22  VAL  84          HG22      VAL  84  -1.990   0.919   9.024
  631   HG23  VAL  84          HG23      VAL  84  -0.810   1.414  10.238
  632    H    GLU  85           H        GLU  85  -2.022   2.664  13.833
  633    HA   GLU  85           HA       GLU  85   0.746   3.327  14.114
  634    HB2  GLU  85           HB3      GLU  85  -0.845   2.968  16.018
  635    HB3  GLU  85           HB2      GLU  85  -0.817   1.240  15.663
  636    HG2  GLU  85           HG3      GLU  85   1.657   1.250  15.979
  637    HG3  GLU  85           HG2      GLU  85   1.563   2.950  16.440
  638    H    ALA  86           H        ALA  86  -0.908   0.373  13.093
  639    HA   ALA  86           HA       ALA  86   1.687  -0.639  12.077
  640    HB1  ALA  86           HB1      ALA  86   1.190  -1.573  14.424
  641    HB2  ALA  86           HB2      ALA  86   1.527  -2.751  13.155
  642    HB3  ALA  86           HB3      ALA  86  -0.135  -2.453  13.664
  643    H    LYS  87           H        LYS  87   1.399  -2.267  10.407
  644    HA   LYS  87           HA       LYS  87  -0.775  -1.782   8.645
  645    HB2  LYS  87           HB3      LYS  87   1.457  -2.815   8.043
  646    HB3  LYS  87           HB2      LYS  87   0.880  -4.318   8.763
  647    HG2  LYS  87           HG3      LYS  87  -1.062  -4.287   7.203
  648    HG3  LYS  87           HG2      LYS  87  -0.396  -2.838   6.446
  649    HD2  LYS  87           HD3      LYS  87   1.734  -4.178   6.049
  650    HD3  LYS  87           HD2      LYS  87   0.820  -5.607   6.523
  651    HE2  LYS  87           HE3      LYS  87  -0.751  -4.153   4.627
  652    HE3  LYS  87           HE2      LYS  87   0.877  -4.323   3.969
  653    HZ1  LYS  87           HZ1      LYS  87   0.252  -6.368   3.413
  654    HZ2  LYS  87           HZ2      LYS  87  -1.138  -6.314   4.383
  655    HZ3  LYS  87           HZ3      LYS  87   0.354  -6.757   5.063
  656    H    LEU  88           H        LEU  88  -0.286  -4.293  11.105
  657    HA   LEU  88           HA       LEU  88  -2.528  -5.918  10.489
  658    HB2  LEU  88           HB3      LEU  88  -0.745  -6.499  12.146
  659    HB3  LEU  88           HB2      LEU  88  -1.422  -5.299  13.245
  660    HG   LEU  88           HG       LEU  88  -3.624  -6.525  13.103
  661   HD11  LEU  88          HD11      LEU  88  -1.901  -8.310  11.411
  662   HD12  LEU  88          HD12      LEU  88  -3.580  -7.826  11.172
  663   HD13  LEU  88          HD13      LEU  88  -3.175  -9.030  12.395
  664   HD21  LEU  88          HD21      LEU  88  -2.939  -8.295  14.647
  665   HD22  LEU  88          HD22      LEU  88  -2.006  -6.836  14.976
  666   HD23  LEU  88          HD23      LEU  88  -1.272  -8.170  14.087
  667    H    GLN  89           H        GLN  89  -2.283  -2.934  12.390
  668    HA   GLN  89           HA       GLN  89  -5.210  -3.029  12.896
  669    HB2  GLN  89           HB3      GLN  89  -3.054  -1.154  13.914
  670    HB3  GLN  89           HB2      GLN  89  -4.760  -1.051  14.351
  671    HG2  GLN  89           HG3      GLN  89  -4.676  -3.312  15.302
  672    HG3  GLN  89           HG2      GLN  89  -2.984  -3.464  14.826
  673   HE21  GLN  89          HE22      GLN  89  -3.742  -3.667  17.571
  674   HE22  GLN  89          HE21      GLN  89  -3.134  -2.318  18.402
  675    H1   PN7 101           3HO      SAT  38  -0.850  -8.528 -13.430
  676    H2   PN7 101           1H1      SAT  38   1.157  -7.360 -10.794
  677    H3   PN7 101           2H1      SAT  38  -0.452  -7.326 -10.071
  678    H5   PN7 101          3HE1      SAT  38   0.073  -6.419 -14.186
  679    H6   PN7 101          1HE1      SAT  38   0.934  -7.732 -13.383
  680    H7   PN7 101          2HE1      SAT  38   1.425  -6.060 -13.111
  681    H8   PN7 101          2HE2      SAT  38  -0.487  -4.507 -12.444
  682    H9   PN7 101          3HE2      SAT  38   0.444  -4.963 -11.017
  683    H10  PN7 101          1HE2      SAT  38  -1.317  -5.044 -10.984
  684    H11  PN7 101           3H       SAT  38  -2.300  -7.496 -11.699
  685    H12  PN7 101           5H       SAT  38  -3.245  -4.369 -11.942
  686    H13  PN7 101           2H6      SAT  38  -4.519  -7.071 -12.058
  687    H14  PN7 101           1H6      SAT  38  -5.488  -5.611 -12.258
  688    H15  PN7 101           1H7      SAT  38  -5.175  -4.952 -10.018
  689    H16  PN7 101           2H7      SAT  38  -3.760  -5.986  -9.816
  690    H17  PN7 101           9H       SAT  38  -4.131  -8.291  -9.453
  691    H18  PN7 101          2H10      SAT  38  -6.852  -8.750  -8.338
  692    H19  PN7 101          1H10      SAT  38  -5.485  -8.662  -7.227
  693    H20  PN7 101          1H11      SAT  38  -5.001 -10.822  -7.633
  694    H21  PN7 101          2H11      SAT  38  -4.814 -10.467  -9.350
  695    H22  PN7 101          2HS1      SAT  38  -6.837 -11.915  -9.549
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1   2.778  12.083   0.622
    2    H2   MET   1           H2       MET   1   4.420  12.426   0.893
    3    H3   MET   1           H3       MET   1   3.223  13.215   1.804
    4    HA   MET   1           HA       MET   1   3.366  10.285   1.883
    5    HB2  MET   1           HB3      MET   1   5.159  12.206   3.396
    6    HB3  MET   1           HB2      MET   1   4.946  10.505   3.817
    7    HG2  MET   1           HG3      MET   1   5.678   9.903   1.494
    8    HG3  MET   1           HG2      MET   1   6.040  11.605   1.215
    9    HE1  MET   1           HE1      MET   1   7.178   9.295   4.716
   10    HE2  MET   1           HE2      MET   1   7.999   8.368   3.463
   11    HE3  MET   1           HE3      MET   1   6.268   8.701   3.331
   12    H    GLN   2           H        GLN   2   1.212  12.210   2.097
   13    HA   GLN   2           HA       GLN   2   0.627  12.954   4.780
   14    HB2  GLN   2           HB3      GLN   2  -1.262  12.166   2.539
   15    HB3  GLN   2           HB2      GLN   2  -1.752  12.966   4.032
   16    HG2  GLN   2           HG3      GLN   2  -0.291  14.875   3.505
   17    HG3  GLN   2           HG2      GLN   2   0.229  14.074   2.022
   18   HE21  GLN   2          HE22      GLN   2  -1.077  16.613   1.922
   19   HE22  GLN   2          HE21      GLN   2  -2.601  16.408   1.205
   20    H    HIS   3           H        HIS   3   0.108   9.922   3.027
   21    HA   HIS   3           HA       HIS   3  -0.427   8.608   5.648
   22    HB2  HIS   3           HB3      HIS   3  -2.472   9.112   3.931
   23    HB3  HIS   3           HB2      HIS   3  -1.925   7.554   3.313
   24    HD1  HIS   3           HD1      HIS   3  -2.713   5.532   4.560
   25    HD2  HIS   3           HD2      HIS   3  -3.025   8.991   6.870
   26    HE1  HIS   3           HE1      HIS   3  -3.878   4.858   6.708
   27    HE2  HIS   3           HE2      HIS   3  -4.071   6.955   8.121
   28    H    ALA   4           H        ALA   4   1.734   8.832   3.385
   29    HA   ALA   4           HA       ALA   4   2.024   6.280   2.169
   30    HB1  ALA   4           HB1      ALA   4   3.392   8.056   1.360
   31    HB2  ALA   4           HB2      ALA   4   4.502   6.915   2.119
   32    HB3  ALA   4           HB3      ALA   4   4.036   8.388   2.968
   33    H    SER   5           H        SER   5   2.942   7.432   5.390
   34    HA   SER   5           HA       SER   5   4.642   5.279   6.118
   35    HB2  SER   5           HB3      SER   5   2.712   6.763   7.924
   36    HB3  SER   5           HB2      SER   5   4.146   5.876   8.432
   37    HG   SER   5           HG       SER   5   5.418   7.381   7.459
   38    H    VAL   6           H        VAL   6   1.106   5.581   6.307
   39    HA   VAL   6           HA       VAL   6   0.705   3.010   7.558
   40    HB   VAL   6           HB       VAL   6  -1.141   4.739   5.900
   41   HG11  VAL   6          HG11      VAL   6  -1.422   2.005   6.906
   42   HG12  VAL   6          HG12      VAL   6  -2.441   2.889   5.770
   43   HG13  VAL   6          HG13      VAL   6  -2.685   3.079   7.507
   44   HG21  VAL   6          HG21      VAL   6  -0.190   4.864   8.597
   45   HG22  VAL   6          HG22      VAL   6  -1.904   4.451   8.636
   46   HG23  VAL   6          HG23      VAL   6  -1.368   5.914   7.809
   47    H    ILE   7           H        ILE   7   0.895   4.123   4.211
   48    HA   ILE   7           HA       ILE   7  -0.010   1.756   2.939
   49    HB   ILE   7           HB       ILE   7   2.120   3.713   2.031
   50   HG12  ILE   7          HG13      ILE   7  -0.846   3.573   1.397
   51   HG13  ILE   7          HG12      ILE   7  -0.126   4.693   2.552
   52   HG21  ILE   7          HG21      ILE   7   1.426   2.888  -0.253
   53   HG22  ILE   7          HG22      ILE   7   0.513   1.611   0.548
   54   HG23  ILE   7          HG23      ILE   7   2.266   1.682   0.721
   55   HD11  ILE   7          HD11      ILE   7   1.447   5.048   0.308
   56   HD12  ILE   7          HD12      ILE   7   0.113   6.095   0.791
   57   HD13  ILE   7          HD13      ILE   7  -0.158   4.802  -0.378
   58    H    ALA   8           H        ALA   8   3.317   2.702   3.856
   59    HA   ALA   8           HA       ALA   8   4.535   0.260   2.984
   60    HB1  ALA   8           HB1      ALA   8   5.575   2.567   3.806
   61    HB2  ALA   8           HB2      ALA   8   6.477   1.060   3.972
   62    HB3  ALA   8           HB3      ALA   8   5.616   1.730   5.358
   63    H    GLN   9           H        GLN   9   3.329   1.313   6.150
   64    HA   GLN   9           HA       GLN   9   3.919  -1.112   7.554
   65    HB2  GLN   9           HB3      GLN   9   3.340   1.053   8.651
   66    HB3  GLN   9           HB2      GLN   9   1.688   0.883   8.061
   67    HG2  GLN   9           HG3      GLN   9   2.201  -1.560   9.284
   68    HG3  GLN   9           HG2      GLN   9   2.972  -0.389  10.352
   69   HE21  GLN   9          HE22      GLN   9  -0.096  -0.580   8.446
   70   HE22  GLN   9          HE21      GLN   9  -1.076   0.023   9.695
   71    H    PHE  10           H        PHE  10   1.117  -0.018   5.715
   72    HA   PHE  10           HA       PHE  10  -0.626  -2.192   6.341
   73    HB2  PHE  10           HB3      PHE  10  -1.300  -0.019   5.280
   74    HB3  PHE  10           HB2      PHE  10  -0.537  -0.565   3.788
   75    HD1  PHE  10           HD2      PHE  10  -3.335  -1.081   6.126
   76    HD2  PHE  10           HD1      PHE  10  -1.500  -2.366   2.461
   77    HE1  PHE  10           HE2      PHE  10  -5.400  -2.315   5.527
   78    HE2  PHE  10           HE1      PHE  10  -3.566  -3.599   1.860
   79    HZ   PHE  10           HZ       PHE  10  -5.517  -3.570   3.394
   80    H    VAL  11           H        VAL  11   1.663  -1.695   3.665
   81    HA   VAL  11           HA       VAL  11   1.043  -4.123   2.279
   82    HB   VAL  11           HB       VAL  11   3.571  -2.458   2.360
   83   HG11  VAL  11          HG11      VAL  11   4.534  -4.212   1.311
   84   HG12  VAL  11          HG12      VAL  11   3.491  -3.822  -0.056
   85   HG13  VAL  11          HG13      VAL  11   2.990  -5.040   1.117
   86   HG21  VAL  11          HG21      VAL  11   0.989  -2.224   1.033
   87   HG22  VAL  11          HG22      VAL  11   2.311  -2.285  -0.133
   88   HG23  VAL  11          HG23      VAL  11   2.304  -1.054   1.128
   89    H    VAL  12           H        VAL  12   3.704  -3.398   4.580
   90    HA   VAL  12           HA       VAL  12   4.695  -6.088   4.599
   91    HB   VAL  12           HB       VAL  12   5.862  -5.401   6.686
   92   HG11  VAL  12          HG11      VAL  12   7.351  -4.597   5.212
   93   HG12  VAL  12          HG12      VAL  12   6.538  -3.033   5.299
   94   HG13  VAL  12          HG13      VAL  12   6.061  -4.208   4.073
   95   HG21  VAL  12          HG21      VAL  12   5.558  -2.838   7.146
   96   HG22  VAL  12          HG22      VAL  12   4.405  -3.983   7.833
   97   HG23  VAL  12          HG23      VAL  12   3.989  -3.078   6.381
   98    H    GLU  13           H        GLU  13   2.212  -4.428   6.474
   99    HA   GLU  13           HA       GLU  13   1.924  -6.236   8.596
  100    HB2  GLU  13           HB3      GLU  13   0.650  -4.107   8.357
  101    HB3  GLU  13           HB2      GLU  13  -0.330  -4.875   7.115
  102    HG2  GLU  13           HG3      GLU  13  -0.994  -6.622   8.760
  103    HG3  GLU  13           HG2      GLU  13  -0.092  -5.750   9.996
  104    H    GLU  14           H        GLU  14   0.846  -6.571   5.248
  105    HA   GLU  14           HA       GLU  14  -0.823  -8.876   5.688
  106    HB2  GLU  14           HB3      GLU  14   0.739  -8.014   3.230
  107    HB3  GLU  14           HB2      GLU  14  -0.478  -9.291   3.247
  108    HG2  GLU  14           HG3      GLU  14  -2.156  -7.642   4.061
  109    HG3  GLU  14           HG2      GLU  14  -0.937  -6.374   3.936
  110    H    PHE  15           H        PHE  15   2.607  -8.371   5.328
  111    HA   PHE  15           HA       PHE  15   3.201 -11.020   6.364
  112    HB2  PHE  15           HB3      PHE  15   4.765 -11.217   4.123
  113    HB3  PHE  15           HB2      PHE  15   3.211 -12.027   4.317
  114    HD1  PHE  15           HD2      PHE  15   4.353  -8.529   3.538
  115    HD2  PHE  15           HD1      PHE  15   1.806 -11.823   2.484
  116    HE1  PHE  15           HE2      PHE  15   3.422  -7.209   1.659
  117    HE2  PHE  15           HE1      PHE  15   0.873 -10.501   0.606
  118    HZ   PHE  15           HZ       PHE  15   1.681  -8.193   0.192
  119    H    LEU  16           H        LEU  16   3.977  -9.085   7.769
  120    HA   LEU  16           HA       LEU  16   6.324  -7.698   6.800
  121    HB2  LEU  16           HB3      LEU  16   6.328  -6.517   8.838
  122    HB3  LEU  16           HB2      LEU  16   4.634  -6.772   8.473
  123    HG   LEU  16           HG       LEU  16   6.297  -8.454  10.367
  124   HD11  LEU  16          HD11      LEU  16   3.951  -6.723  11.102
  125   HD12  LEU  16          HD12      LEU  16   5.568  -6.028  10.985
  126   HD13  LEU  16          HD13      LEU  16   5.248  -7.329  12.133
  127   HD21  LEU  16          HD21      LEU  16   3.379  -8.540   9.534
  128   HD22  LEU  16          HD22      LEU  16   3.993  -9.357  10.970
  129   HD23  LEU  16          HD23      LEU  16   4.567  -9.831   9.374
  130    HA   PRO  17           HA       PRO  17   9.135 -10.922   7.947
  131    HB2  PRO  17           HB2      PRO  17  11.467  -9.453   7.925
  132    HB3  PRO  17           HB3      PRO  17  10.674 -10.067   6.464
  133    HG2  PRO  17           HG3      PRO  17  10.645  -7.338   7.626
  134    HG3  PRO  17           HG2      PRO  17  10.655  -7.847   5.931
  135    HD2  PRO  17           HD3      PRO  17   8.412  -6.970   7.243
  136    HD3  PRO  17           HD2      PRO  17   8.367  -8.081   5.858
  137    H    ASP  18           H        ASP  18  11.500 -10.363   9.469
  138    HA   ASP  18           HA       ASP  18  10.308 -10.120  12.137
  139    HB2  ASP  18           HB3      ASP  18  13.132 -10.646  11.192
  140    HB3  ASP  18           HB2      ASP  18  12.657 -10.604  12.885
  141    H    VAL  19           H        VAL  19  10.731  -7.847  10.076
  142    HA   VAL  19           HA       VAL  19  12.299  -6.009  11.841
  143    HB   VAL  19           HB       VAL  19  11.587  -5.700   8.915
  144   HG11  VAL  19          HG11      VAL  19  13.480  -4.000   9.071
  145   HG12  VAL  19          HG12      VAL  19  13.383  -4.177  10.823
  146   HG13  VAL  19          HG13      VAL  19  11.999  -3.558   9.921
  147   HG21  VAL  19          HG21      VAL  19  13.758  -7.144  10.306
  148   HG22  VAL  19          HG22      VAL  19  14.311  -6.038   9.049
  149   HG23  VAL  19          HG23      VAL  19  13.169  -7.322   8.653
  150    H    ALA  20           H        ALA  20  11.276  -4.210  12.661
  151    HA   ALA  20           HA       ALA  20   8.390  -4.016  12.437
  152    HB1  ALA  20           HB1      ALA  20   9.624  -1.619  13.485
  153    HB2  ALA  20           HB2      ALA  20  10.368  -3.050  14.198
  154    HB3  ALA  20           HB3      ALA  20   8.626  -2.806  14.325
  155    HA   PRO  21           HA       PRO  21   8.206  -1.611   8.661
  156    HB2  PRO  21           HB2      PRO  21   6.190   0.049  10.105
  157    HB3  PRO  21           HB3      PRO  21   6.072  -0.743   8.522
  158    HG2  PRO  21           HG3      PRO  21   4.848  -1.702  10.709
  159    HG3  PRO  21           HG2      PRO  21   5.462  -2.746   9.420
  160    HD2  PRO  21           HD3      PRO  21   6.511  -2.360  12.162
  161    HD3  PRO  21           HD2      PRO  21   6.712  -3.729  11.045
  162    H    ALA  22           H        ALA  22   8.335   0.022  11.793
  163    HA   ALA  22           HA       ALA  22   9.228   2.574  10.774
  164    HB1  ALA  22           HB1      ALA  22   9.347   1.249  13.489
  165    HB2  ALA  22           HB2      ALA  22   8.291   2.563  12.967
  166    HB3  ALA  22           HB3      ALA  22  10.015   2.857  13.201
  167    H    ASP  23           H        ASP  23  10.745  -0.460  11.241
  168    HA   ASP  23           HA       ASP  23  13.458   0.748  11.261
  169    HB2  ASP  23           HB3      ASP  23  12.514  -2.108  11.648
  170    HB3  ASP  23           HB2      ASP  23  14.209  -1.619  11.637
  171    H    VAL  24           H        VAL  24  11.224  -0.002   9.024
  172    HA   VAL  24           HA       VAL  24  13.173  -1.190   7.105
  173    HB   VAL  24           HB       VAL  24  10.172  -0.816   6.827
  174   HG11  VAL  24          HG11      VAL  24  12.267  -2.232   5.160
  175   HG12  VAL  24          HG12      VAL  24  11.208  -0.913   4.660
  176   HG13  VAL  24          HG13      VAL  24  10.536  -2.513   4.974
  177   HG21  VAL  24          HG21      VAL  24  11.870  -3.178   7.668
  178   HG22  VAL  24          HG22      VAL  24  10.213  -3.355   7.094
  179   HG23  VAL  24          HG23      VAL  24  10.544  -2.432   8.559
  180    H    ASP  25           H        ASP  25  13.917   0.054   5.418
  181    HA   ASP  25           HA       ASP  25  13.472   2.900   5.494
  182    HB2  ASP  25           HB3      ASP  25  14.753   1.127   3.393
  183    HB3  ASP  25           HB2      ASP  25  14.780   2.890   3.350
  184    H    VAL  26           H        VAL  26  11.276   3.368   5.170
  185    HA   VAL  26           HA       VAL  26   9.607   2.163   3.201
  186    HB   VAL  26           HB       VAL  26   8.154   4.118   3.487
  187   HG11  VAL  26          HG11      VAL  26   8.241   2.422   5.290
  188   HG12  VAL  26          HG12      VAL  26   7.910   4.030   5.933
  189   HG13  VAL  26          HG13      VAL  26   9.526   3.337   6.078
  190   HG21  VAL  26          HG21      VAL  26  10.622   5.297   4.793
  191   HG22  VAL  26          HG22      VAL  26   9.008   5.982   4.986
  192   HG23  VAL  26          HG23      VAL  26   9.754   5.917   3.389
  193    H    ASP  27           H        ASP  27  12.403   3.722   2.596
  194    HA   ASP  27           HA       ASP  27  11.451   5.142   0.165
  195    HB2  ASP  27           HB3      ASP  27  14.181   4.985   1.485
  196    HB3  ASP  27           HB2      ASP  27  13.847   5.874  -0.001
  197    H    LEU  28           H        LEU  28  11.965   2.089   0.925
  198    HA   LEU  28           HA       LEU  28  13.746   1.323  -1.306
  199    HB2  LEU  28           HB3      LEU  28  13.836   0.147   0.901
  200    HB3  LEU  28           HB2      LEU  28  12.192  -0.420   0.630
  201    HG   LEU  28           HG       LEU  28  13.332  -1.198  -1.701
  202   HD11  LEU  28          HD11      LEU  28  15.508  -1.685   0.331
  203   HD12  LEU  28          HD12      LEU  28  15.546  -0.292  -0.750
  204   HD13  LEU  28          HD13      LEU  28  15.566  -1.925  -1.415
  205   HD21  LEU  28          HD21      LEU  28  13.671  -3.440  -0.511
  206   HD22  LEU  28          HD22      LEU  28  12.070  -2.717  -0.353
  207   HD23  LEU  28          HD23      LEU  28  13.225  -2.605   0.976
  208    H    ASP  29           H        ASP  29  13.002   0.468  -3.229
  209    HA   ASP  29           HA       ASP  29  10.288   0.892  -4.000
  210    HB2  ASP  29           HB3      ASP  29  12.411  -0.920  -5.199
  211    HB3  ASP  29           HB2      ASP  29  10.878  -0.533  -5.977
  212    H    LEU  30           H        LEU  30   8.541  -0.284  -3.384
  213    HA   LEU  30           HA       LEU  30   8.834  -2.687  -1.826
  214    HB2  LEU  30           HB3      LEU  30   6.355  -2.772  -1.916
  215    HB3  LEU  30           HB2      LEU  30   6.945  -1.168  -1.477
  216    HG   LEU  30           HG       LEU  30   6.699  -1.519  -4.370
  217   HD11  LEU  30          HD11      LEU  30   4.817  -2.906  -3.959
  218   HD12  LEU  30          HD12      LEU  30   4.140  -1.297  -4.210
  219   HD13  LEU  30          HD13      LEU  30   4.307  -1.938  -2.576
  220   HD21  LEU  30          HD21      LEU  30   5.691   0.660  -4.211
  221   HD22  LEU  30          HD22      LEU  30   7.012   0.621  -3.043
  222   HD23  LEU  30          HD23      LEU  30   5.345   0.436  -2.496
  223    H    VAL  31           H        VAL  31   9.517  -2.468  -4.958
  224    HA   VAL  31           HA       VAL  31   7.915  -4.338  -6.327
  225    HB   VAL  31           HB       VAL  31  10.890  -3.795  -6.515
  226   HG11  VAL  31          HG11      VAL  31  10.865  -5.910  -7.451
  227   HG12  VAL  31          HG12      VAL  31  10.391  -4.962  -8.860
  228   HG13  VAL  31          HG13      VAL  31   9.165  -5.802  -7.909
  229   HG21  VAL  31          HG21      VAL  31   9.713  -1.928  -7.335
  230   HG22  VAL  31          HG22      VAL  31   8.422  -2.917  -8.013
  231   HG23  VAL  31          HG23      VAL  31  10.005  -2.880  -8.788
  232    H    ASP  32           H        ASP  32  10.647  -4.899  -4.136
  233    HA   ASP  32           HA       ASP  32  10.818  -7.718  -4.418
  234    HB2  ASP  32           HB3      ASP  32  11.210  -5.983  -1.955
  235    HB3  ASP  32           HB2      ASP  32  11.654  -7.687  -2.042
  236    H    ASN  33           H        ASN  33   8.643  -5.659  -2.581
  237    HA   ASN  33           HA       ASN  33   7.184  -7.958  -1.463
  238    HB2  ASN  33           HB3      ASN  33   6.570  -5.000  -1.333
  239    HB3  ASN  33           HB2      ASN  33   5.800  -6.260  -0.374
  240   HD21  ASN  33          HD22      ASN  33   7.885  -3.880   0.103
  241   HD22  ASN  33          HD21      ASN  33   8.987  -4.599   1.175
  242    H    GLY  34           H        GLY  34   7.421  -6.990  -4.422
  243    HA2  GLY  34           HA3      GLY  34   5.069  -6.061  -5.516
  244    HA3  GLY  34           HA2      GLY  34   6.018  -7.334  -6.285
  245    H    VAL  35           H        VAL  35   5.419  -8.861  -3.600
  246    HA   VAL  35           HA       VAL  35   3.458 -10.614  -4.594
  247    HB   VAL  35           HB       VAL  35   4.154  -9.870  -1.738
  248   HG11  VAL  35          HG11      VAL  35   2.012 -11.575  -2.817
  249   HG12  VAL  35          HG12      VAL  35   2.217 -10.918  -1.193
  250   HG13  VAL  35          HG13      VAL  35   3.058 -12.397  -1.658
  251   HG21  VAL  35          HG21      VAL  35   5.463 -11.895  -1.780
  252   HG22  VAL  35          HG22      VAL  35   5.881 -10.977  -3.226
  253   HG23  VAL  35          HG23      VAL  35   4.793 -12.360  -3.344
  254    H    ILE  36           H        ILE  36   3.081  -7.619  -2.750
  255    HA   ILE  36           HA       ILE  36   0.234  -7.867  -2.376
  256    HB   ILE  36           HB       ILE  36   2.003  -6.290  -1.216
  257   HG12  ILE  36          HG13      ILE  36  -0.816  -5.446  -1.962
  258   HG13  ILE  36          HG12      ILE  36  -0.348  -6.423  -0.574
  259   HG21  ILE  36          HG21      ILE  36   0.890  -4.382  -3.269
  260   HG22  ILE  36          HG22      ILE  36   2.414  -5.225  -3.552
  261   HG23  ILE  36          HG23      ILE  36   2.248  -4.146  -2.168
  262   HD11  ILE  36          HD11      ILE  36  -0.069  -3.494  -1.004
  263   HD12  ILE  36          HD12      ILE  36   1.239  -4.299  -0.139
  264   HD13  ILE  36          HD13      ILE  36  -0.409  -4.384   0.480
  265    H    ASP  37           H        ASP  37   2.225  -6.741  -4.986
  266    HA   ASP  37           HA       ASP  37   0.473  -4.982  -6.304
  267    HB2  ASP  37           HB3      ASP  37   2.458  -6.933  -7.491
  268    HB3  ASP  37           HB2      ASP  37   1.681  -5.632  -8.389
  269    H    SER  38           H        SER  38   0.461  -8.533  -6.346
  270    HA   SER  38           HA       SER  38  -1.924  -8.385  -8.143
  271    HB2  SER  38           2HB      SER  38  -0.919 -11.048  -7.919
  272    HB3  SER  38           1HB      SER  38  -0.969 -10.007  -9.340
  273    H    LEU  39           H        LEU  39  -0.718 -10.669  -5.656
  274    HA   LEU  39           HA       LEU  39  -3.336 -11.622  -5.049
  275    HB2  LEU  39           HB3      LEU  39  -1.320 -12.911  -4.545
  276    HB3  LEU  39           HB2      LEU  39  -0.851 -11.708  -3.350
  277    HG   LEU  39           HG       LEU  39  -2.880 -12.170  -2.061
  278   HD11  LEU  39          HD11      LEU  39  -4.561 -12.813  -3.530
  279   HD12  LEU  39          HD12      LEU  39  -4.082 -14.385  -2.888
  280   HD13  LEU  39          HD13      LEU  39  -3.486 -13.855  -4.461
  281   HD21  LEU  39          HD21      LEU  39  -1.051 -13.511  -1.395
  282   HD22  LEU  39          HD22      LEU  39  -1.144 -14.497  -2.853
  283   HD23  LEU  39          HD23      LEU  39  -2.376 -14.657  -1.602
  284    H    GLY  40           H        GLY  40  -1.242  -9.405  -3.203
  285    HA2  GLY  40           HA3      GLY  40  -3.288  -8.826  -1.255
  286    HA3  GLY  40           HA2      GLY  40  -1.810  -7.904  -1.488
  287    H    LEU  41           H        LEU  41  -2.271  -7.292  -4.275
  288    HA   LEU  41           HA       LEU  41  -3.740  -4.876  -4.016
  289    HB2  LEU  41           HB3      LEU  41  -2.095  -5.400  -5.850
  290    HB3  LEU  41           HB2      LEU  41  -3.317  -6.441  -6.578
  291    HG   LEU  41           HG       LEU  41  -4.838  -4.293  -6.355
  292   HD11  LEU  41          HD11      LEU  41  -2.023  -3.173  -6.363
  293   HD12  LEU  41          HD12      LEU  41  -3.248  -2.933  -5.117
  294   HD13  LEU  41          HD13      LEU  41  -3.470  -2.231  -6.720
  295   HD21  LEU  41          HD21      LEU  41  -3.958  -3.551  -8.618
  296   HD22  LEU  41          HD22      LEU  41  -4.337  -5.269  -8.495
  297   HD23  LEU  41          HD23      LEU  41  -2.661  -4.727  -8.415
  298    H    LEU  42           H        LEU  42  -4.728  -8.069  -5.216
  299    HA   LEU  42           HA       LEU  42  -7.374  -7.289  -6.002
  300    HB2  LEU  42           HB3      LEU  42  -6.251  -9.458  -6.621
  301    HB3  LEU  42           HB2      LEU  42  -6.495  -9.999  -4.966
  302    HG   LEU  42           HG       LEU  42  -8.997  -9.330  -5.412
  303   HD11  LEU  42          HD11      LEU  42  -7.979  -8.553  -7.801
  304   HD12  LEU  42          HD12      LEU  42  -9.654  -9.059  -7.580
  305   HD13  LEU  42          HD13      LEU  42  -8.458 -10.204  -8.188
  306   HD21  LEU  42          HD21      LEU  42  -8.637 -11.589  -4.955
  307   HD22  LEU  42          HD22      LEU  42  -7.480 -11.775  -6.273
  308   HD23  LEU  42          HD23      LEU  42  -9.206 -11.673  -6.622
  309    H    LYS  43           H        LYS  43  -6.069  -8.591  -2.954
  310    HA   LYS  43           HA       LYS  43  -8.577  -8.644  -1.565
  311    HB2  LYS  43           HB3      LYS  43  -5.744  -8.410  -0.540
  312    HB3  LYS  43           HB2      LYS  43  -7.146  -8.714   0.477
  313    HG2  LYS  43           HG3      LYS  43  -7.637 -10.753  -0.881
  314    HG3  LYS  43           HG2      LYS  43  -6.143 -10.474  -1.776
  315    HD2  LYS  43           HD3      LYS  43  -4.880 -10.579   0.376
  316    HD3  LYS  43           HD2      LYS  43  -6.385 -10.984   1.203
  317    HE2  LYS  43           HE3      LYS  43  -5.500 -12.602  -1.171
  318    HE3  LYS  43           HE2      LYS  43  -4.808 -12.922   0.420
  319    HZ1  LYS  43           HZ1      LYS  43  -7.719 -12.843  -0.160
  320    HZ2  LYS  43           HZ2      LYS  43  -6.987 -13.288   1.304
  321    HZ3  LYS  43           HZ3      LYS  43  -6.796 -14.267  -0.071
  322    H    VAL  44           H        VAL  44  -6.113  -6.153  -2.013
  323    HA   VAL  44           HA       VAL  44  -7.043  -4.306  -0.063
  324    HB   VAL  44           HB       VAL  44  -5.657  -3.857  -2.715
  325   HG11  VAL  44          HG11      VAL  44  -6.427  -1.721  -2.362
  326   HG12  VAL  44          HG12      VAL  44  -5.042  -1.671  -1.270
  327   HG13  VAL  44          HG13      VAL  44  -6.658  -1.980  -0.633
  328   HG21  VAL  44          HG21      VAL  44  -4.149  -3.263  -0.328
  329   HG22  VAL  44          HG22      VAL  44  -3.792  -4.441  -1.592
  330   HG23  VAL  44          HG23      VAL  44  -4.805  -4.896  -0.222
  331    H    ILE  45           H        ILE  45  -7.958  -4.697  -3.483
  332    HA   ILE  45           HA       ILE  45  -9.708  -2.465  -3.631
  333    HB   ILE  45           HB       ILE  45  -9.320  -4.999  -5.139
  334   HG12  ILE  45          HG13      ILE  45  -9.087  -3.468  -6.992
  335   HG13  ILE  45          HG12      ILE  45  -9.785  -2.148  -6.055
  336   HG21  ILE  45          HG21      ILE  45 -11.361  -4.348  -6.550
  337   HG22  ILE  45          HG22      ILE  45 -11.878  -3.395  -5.160
  338   HG23  ILE  45          HG23      ILE  45 -11.686  -5.142  -5.010
  339   HD11  ILE  45          HD11      ILE  45  -7.139  -2.439  -6.305
  340   HD12  ILE  45          HD12      ILE  45  -7.383  -3.514  -4.929
  341   HD13  ILE  45          HD13      ILE  45  -7.865  -1.822  -4.821
  342    H    ALA  46           H        ALA  46 -10.355  -5.853  -2.731
  343    HA   ALA  46           HA       ALA  46 -13.169  -5.486  -2.298
  344    HB1  ALA  46           HB1      ALA  46 -12.557  -7.725  -2.514
  345    HB2  ALA  46           HB2      ALA  46 -12.740  -7.584  -0.765
  346    HB3  ALA  46           HB3      ALA  46 -11.132  -7.537  -1.491
  347    H    TRP  47           H        TRP  47 -10.381  -5.372  -0.068
  348    HA   TRP  47           HA       TRP  47 -12.056  -4.840   2.247
  349    HB2  TRP  47           HB3      TRP  47 -10.065  -5.753   2.951
  350    HB3  TRP  47           HB2      TRP  47  -9.134  -4.968   1.676
  351    HD1  TRP  47           HD1      TRP  47 -10.521  -4.399   5.172
  352    HE1  TRP  47           HE1      TRP  47  -9.466  -2.257   6.151
  353    HE3  TRP  47           HE3      TRP  47  -8.103  -2.638   1.038
  354    HZ2  TRP  47           HZ2      TRP  47  -7.808  -0.088   5.287
  355    HZ3  TRP  47           HZ3      TRP  47  -6.793  -0.541   1.141
  356    HH2  TRP  47           HH2      TRP  47  -6.644   0.736   3.257
  357    H    LEU  48           H        LEU  48 -10.024  -2.844   0.117
  358    HA   LEU  48           HA       LEU  48 -10.279  -0.400   1.495
  359    HB2  LEU  48           HB3      LEU  48  -8.796  -0.850  -0.482
  360    HB3  LEU  48           HB2      LEU  48 -10.218  -0.773  -1.511
  361    HG   LEU  48           HG       LEU  48 -10.572   1.539  -0.265
  362   HD11  LEU  48          HD11      LEU  48  -8.614   1.129   1.221
  363   HD12  LEU  48          HD12      LEU  48  -8.441   2.601   0.264
  364   HD13  LEU  48          HD13      LEU  48  -7.575   1.137  -0.201
  365   HD21  LEU  48          HD21      LEU  48  -8.923   0.749  -2.623
  366   HD22  LEU  48          HD22      LEU  48  -8.820   2.429  -2.093
  367   HD23  LEU  48          HD23      LEU  48 -10.378   1.744  -2.557
  368    H    GLU  49           H        GLU  49 -12.433  -1.862  -0.941
  369    HA   GLU  49           HA       GLU  49 -14.256   0.342  -1.088
  370    HB2  GLU  49           HB3      GLU  49 -14.417  -1.304  -2.799
  371    HB3  GLU  49           HB2      GLU  49 -14.546  -2.616  -1.629
  372    HG2  GLU  49           HG3      GLU  49 -16.627  -0.526  -1.405
  373    HG3  GLU  49           HG2      GLU  49 -16.685  -1.491  -2.877
  374    H    ASP  50           H        ASP  50 -14.160  -2.541   0.985
  375    HA   ASP  50           HA       ASP  50 -16.645  -2.039   2.314
  376    HB2  ASP  50           HB3      ASP  50 -15.379  -4.206   2.324
  377    HB3  ASP  50           HB2      ASP  50 -14.226  -3.456   3.427
  378    H    ARG  51           H        ARG  51 -13.294  -1.286   3.264
  379    HA   ARG  51           HA       ARG  51 -13.995  -0.023   5.728
  380    HB2  ARG  51           HB3      ARG  51 -11.711  -0.828   5.151
  381    HB3  ARG  51           HB2      ARG  51 -11.560   0.510   4.010
  382    HG2  ARG  51           HG3      ARG  51 -11.885   2.126   5.831
  383    HG3  ARG  51           HG2      ARG  51 -12.086   0.805   6.983
  384    HD2  ARG  51           HD3      ARG  51  -9.791   0.014   6.423
  385    HD3  ARG  51           HD2      ARG  51  -9.593   1.412   5.366
  386    HE   ARG  51           HE       ARG  51 -10.229   2.648   7.679
  387   HH11  ARG  51          HH22      ARG  51  -8.152  -0.027   7.005
  388   HH12  ARG  51          HH21      ARG  51  -7.081   0.306   8.323
  389   HH21  ARG  51          HH11      ARG  51  -8.839   3.090   9.401
  390   HH22  ARG  51          HH12      ARG  51  -7.468   2.068   9.677
  391    H    PHE  52           H        PHE  52 -13.480   1.384   2.470
  392    HA   PHE  52           HA       PHE  52 -14.318   4.011   3.592
  393    HB2  PHE  52           HB3      PHE  52 -12.958   3.270   0.993
  394    HB3  PHE  52           HB2      PHE  52 -13.425   4.906   1.444
  395    HD1  PHE  52           HD2      PHE  52 -12.375   6.024   3.404
  396    HD2  PHE  52           HD1      PHE  52 -11.054   2.187   1.996
  397    HE1  PHE  52           HE2      PHE  52 -10.282   6.266   4.711
  398    HE2  PHE  52           HE1      PHE  52  -8.960   2.428   3.303
  399    HZ   PHE  52           HZ       PHE  52  -8.574   4.468   4.661
  400    H    GLY  53           H        GLY  53 -15.673   1.404   1.931
  401    HA2  GLY  53           HA3      GLY  53 -17.784   1.216   0.887
  402    HA3  GLY  53           HA2      GLY  53 -18.102   2.875   1.399
  403    H    ILE  54           H        ILE  54 -15.298   1.989  -0.526
  404    HA   ILE  54           HA       ILE  54 -16.323   3.759  -2.684
  405    HB   ILE  54           HB       ILE  54 -13.557   2.589  -2.256
  406   HG12  ILE  54          HG13      ILE  54 -14.518   5.424  -1.787
  407   HG13  ILE  54          HG12      ILE  54 -14.404   4.222  -0.501
  408   HG21  ILE  54          HG21      ILE  54 -13.616   3.129  -4.522
  409   HG22  ILE  54          HG22      ILE  54 -13.099   4.663  -3.824
  410   HG23  ILE  54          HG23      ILE  54 -14.785   4.429  -4.286
  411   HD11  ILE  54          HD11      ILE  54 -12.113   5.127  -2.270
  412   HD12  ILE  54          HD12      ILE  54 -12.005   3.927  -0.982
  413   HD13  ILE  54          HD13      ILE  54 -12.365   5.609  -0.592
  414    H    ALA  55           H        ALA  55 -16.451   3.035  -4.848
  415    HA   ALA  55           HA       ALA  55 -17.214   0.319  -5.256
  416    HB1  ALA  55           HB1      ALA  55 -18.037   1.936  -6.809
  417    HB2  ALA  55           HB2      ALA  55 -16.918   0.929  -7.729
  418    HB3  ALA  55           HB3      ALA  55 -16.413   2.523  -7.168
  419    H    ALA  56           H        ALA  56 -16.081  -1.368  -6.398
  420    HA   ALA  56           HA       ALA  56 -13.400  -1.762  -5.615
  421    HB1  ALA  56           HB1      ALA  56 -13.621  -3.794  -6.615
  422    HB2  ALA  56           HB2      ALA  56 -14.168  -3.088  -8.136
  423    HB3  ALA  56           HB3      ALA  56 -15.308  -3.317  -6.809
  424    H    ASP  57           H        ASP  57 -14.692  -0.455  -8.662
  425    HA   ASP  57           HA       ASP  57 -13.559   0.590 -10.443
  426    HB2  ASP  57           HB3      ASP  57 -11.821   1.407  -8.106
  427    HB3  ASP  57           HB2      ASP  57 -11.731   2.130  -9.710
  428    H    ASP  58           H        ASP  58 -12.983  -2.068 -10.398
  429    HA   ASP  58           HA       ASP  58 -10.170  -2.650 -10.143
  430    HB2  ASP  58           HB3      ASP  58 -11.976  -4.370 -10.030
  431    HB3  ASP  58           HB2      ASP  58 -12.249  -4.135 -11.755
  432    H    VAL  59           H        VAL  59  -8.651  -1.829 -11.455
  433    HA   VAL  59           HA       VAL  59  -9.235  -1.664 -14.380
  434    HB   VAL  59           HB       VAL  59  -7.951   0.427 -14.493
  435   HG11  VAL  59          HG11      VAL  59 -10.268   0.825 -14.208
  436   HG12  VAL  59          HG12      VAL  59  -9.504   1.834 -12.980
  437   HG13  VAL  59          HG13      VAL  59 -10.238   0.296 -12.526
  438   HG21  VAL  59          HG21      VAL  59  -7.648  -0.071 -11.525
  439   HG22  VAL  59          HG22      VAL  59  -7.421   1.529 -12.232
  440   HG23  VAL  59          HG23      VAL  59  -6.376   0.194 -12.719
  441    H    GLU  60           H        GLU  60  -7.167  -1.728 -15.682
  442    HA   GLU  60           HA       GLU  60  -5.368  -3.728 -14.509
  443    HB2  GLU  60           HB3      GLU  60  -6.132  -3.833 -16.894
  444    HB3  GLU  60           HB2      GLU  60  -5.204  -2.373 -17.215
  445    HG2  GLU  60           HG3      GLU  60  -3.161  -3.541 -16.420
  446    HG3  GLU  60           HG2      GLU  60  -4.111  -5.010 -16.229
  447    H    LEU  61           H        LEU  61  -3.582  -3.177 -13.392
  448    HA   LEU  61           HA       LEU  61  -2.332  -0.518 -13.926
  449    HB2  LEU  61           HB3      LEU  61  -2.338  -2.132 -11.360
  450    HB3  LEU  61           HB2      LEU  61  -1.551  -0.571 -11.587
  451    HG   LEU  61           HG       LEU  61  -4.102  -0.059 -12.471
  452   HD11  LEU  61          HD11      LEU  61  -5.665  -1.034 -10.925
  453   HD12  LEU  61          HD12      LEU  61  -4.366  -1.772  -9.990
  454   HD13  LEU  61          HD13      LEU  61  -4.729  -2.362 -11.612
  455   HD21  LEU  61          HD21      LEU  61  -3.032   0.204  -9.643
  456   HD22  LEU  61          HD22      LEU  61  -4.359   1.141 -10.330
  457   HD23  LEU  61          HD23      LEU  61  -2.723   1.334 -10.960
  458    H    SER  62           H        SER  62  -0.068  -0.466 -14.155
  459    HA   SER  62           HA       SER  62   1.165  -3.105 -14.702
  460    HB2  SER  62           HB3      SER  62   3.036  -1.169 -15.353
  461    HB3  SER  62           HB2      SER  62   1.907  -1.917 -16.479
  462    HG   SER  62           HG       SER  62   1.940   0.493 -16.255
  463    HA   PRO  63           HA       PRO  63   3.696  -3.243 -11.112
  464    HB2  PRO  63           HB2      PRO  63   6.206  -3.715 -12.257
  465    HB3  PRO  63           HB3      PRO  63   5.002  -4.953 -11.865
  466    HG2  PRO  63           HG3      PRO  63   5.656  -3.705 -14.467
  467    HG3  PRO  63           HG2      PRO  63   5.097  -5.346 -14.104
  468    HD2  PRO  63           HD3      PRO  63   3.459  -3.450 -15.169
  469    HD3  PRO  63           HD2      PRO  63   2.864  -4.730 -14.088
  470    H    GLU  64           H        GLU  64   4.590  -1.070 -13.688
  471    HA   GLU  64           HA       GLU  64   6.724   0.319 -12.416
  472    HB2  GLU  64           HB3      GLU  64   4.672   1.301 -14.397
  473    HB3  GLU  64           HB2      GLU  64   6.126   2.183 -13.956
  474    HG2  GLU  64           HG3      GLU  64   7.489   0.258 -14.711
  475    HG3  GLU  64           HG2      GLU  64   6.016  -0.556 -15.223
  476    H    HIS  65           H        HIS  65   3.231   0.589 -12.097
  477    HA   HIS  65           HA       HIS  65   3.248   3.099 -10.672
  478    HB2  HIS  65           HB3      HIS  65   1.234   2.190 -11.794
  479    HB3  HIS  65           HB2      HIS  65   1.183   0.881 -10.613
  480    HD1  HIS  65           HD1      HIS  65   0.324   1.424  -8.257
  481    HD2  HIS  65           HD2      HIS  65   0.589   4.787 -10.711
  482    HE1  HIS  65           HE1      HIS  65  -0.853   3.304  -7.029
  483    HE2  HIS  65           HE2      HIS  65  -0.697   5.354  -8.514
  484    H    PHE  66           H        PHE  66   3.750  -0.223  -9.682
  485    HA   PHE  66           HA       PHE  66   3.497   0.550  -6.824
  486    HB2  PHE  66           HB3      PHE  66   4.005  -2.167  -8.071
  487    HB3  PHE  66           HB2      PHE  66   3.642  -1.852  -6.373
  488    HD1  PHE  66           HD2      PHE  66   1.400  -1.071  -5.683
  489    HD2  PHE  66           HD1      PHE  66   2.287  -2.043  -9.771
  490    HE1  PHE  66           HE2      PHE  66  -1.026  -1.124  -6.198
  491    HE2  PHE  66           HE1      PHE  66  -0.137  -2.098 -10.286
  492    HZ   PHE  66           HZ       PHE  66  -1.794  -1.638  -8.501
  493    H    ARG  67           H        ARG  67   5.872   0.995  -8.925
  494    HA   ARG  67           HA       ARG  67   8.118  -0.419  -7.938
  495    HB2  ARG  67           HB3      ARG  67   7.858   2.298  -9.224
  496    HB3  ARG  67           HB2      ARG  67   9.423   1.623  -8.771
  497    HG2  ARG  67           HG3      ARG  67   7.541  -0.079 -10.342
  498    HG3  ARG  67           HG2      ARG  67   8.429   1.191 -11.184
  499    HD2  ARG  67           HD3      ARG  67   9.887  -0.673  -9.330
  500    HD3  ARG  67           HD2      ARG  67   9.501  -1.196 -10.970
  501    HE   ARG  67           HE       ARG  67  10.671   1.240 -11.405
  502   HH11  ARG  67          HH22      ARG  67  11.476  -1.511  -9.489
  503   HH12  ARG  67          HH21      ARG  67  13.186  -1.272  -9.625
  504   HH21  ARG  67          HH11      ARG  67  12.900   1.567 -11.595
  505   HH22  ARG  67          HH12      ARG  67  13.992   0.471 -10.818
  506    H    SER  68           H        SER  68   6.618   2.561  -6.714
  507    HA   SER  68           HA       SER  68   8.333   2.257  -4.288
  508    HB2  SER  68           HB3      SER  68   9.273   4.047  -5.736
  509    HB3  SER  68           HB2      SER  68   7.729   4.890  -5.660
  510    HG   SER  68           HG       SER  68   9.433   4.220  -3.486
  511    H    ILE  69           H        ILE  69   7.341   2.858  -2.344
  512    HA   ILE  69           HA       ILE  69   4.516   2.627  -2.165
  513    HB   ILE  69           HB       ILE  69   6.475   3.856  -0.203
  514   HG12  ILE  69          HG13      ILE  69   5.358   1.052  -0.302
  515   HG13  ILE  69          HG12      ILE  69   6.935   1.491  -0.940
  516   HG21  ILE  69          HG21      ILE  69   4.653   4.301   1.020
  517   HG22  ILE  69          HG22      ILE  69   4.344   2.567   1.086
  518   HG23  ILE  69          HG23      ILE  69   3.614   3.544  -0.186
  519   HD11  ILE  69          HD11      ILE  69   6.569   2.533   1.743
  520   HD12  ILE  69          HD12      ILE  69   7.854   1.500   1.117
  521   HD13  ILE  69          HD13      ILE  69   6.354   0.783   1.703
  522    H    ARG  70           H        ARG  70   6.639   5.463  -2.322
  523    HA   ARG  70           HA       ARG  70   4.701   7.439  -1.664
  524    HB2  ARG  70           HB3      ARG  70   7.097   7.610  -3.514
  525    HB3  ARG  70           HB2      ARG  70   6.190   9.000  -2.919
  526    HG2  ARG  70           HG3      ARG  70   6.693   8.272  -0.581
  527    HG3  ARG  70           HG2      ARG  70   7.703   6.983  -1.236
  528    HD2  ARG  70           HD3      ARG  70   8.106   9.960  -1.651
  529    HD3  ARG  70           HD2      ARG  70   9.105   8.901  -0.656
  530    HE   ARG  70           HE       ARG  70   9.031   7.853  -3.310
  531   HH11  ARG  70          HH22      ARG  70  10.194  10.517  -1.456
  532   HH12  ARG  70          HH21      ARG  70  11.563  10.802  -2.478
  533   HH21  ARG  70          HH11      ARG  70  10.813   8.209  -4.654
  534   HH22  ARG  70          HH12      ARG  70  11.913   9.496  -4.289
  535    H    SER  71           H        SER  71   5.473   5.895  -4.777
  536    HA   SER  71           HA       SER  71   3.885   7.580  -6.424
  537    HB2  SER  71           HB3      SER  71   4.357   4.605  -6.760
  538    HB3  SER  71           HB2      SER  71   3.915   5.747  -8.023
  539    HG   SER  71           HG       SER  71   5.977   6.052  -8.228
  540    H    ILE  72           H        ILE  72   3.037   4.651  -4.585
  541    HA   ILE  72           HA       ILE  72   0.316   4.536  -5.489
  542    HB   ILE  72           HB       ILE  72   1.566   3.497  -2.929
  543   HG12  ILE  72          HG13      ILE  72   1.063   2.099  -5.576
  544   HG13  ILE  72          HG12      ILE  72   2.637   2.698  -5.052
  545   HG21  ILE  72          HG21      ILE  72  -0.536   2.902  -2.409
  546   HG22  ILE  72          HG22      ILE  72  -0.534   1.856  -3.828
  547   HG23  ILE  72          HG23      ILE  72  -1.135   3.508  -3.952
  548   HD11  ILE  72          HD11      ILE  72   0.974   0.499  -3.817
  549   HD12  ILE  72          HD12      ILE  72   2.290   1.278  -2.938
  550   HD13  ILE  72          HD13      ILE  72   2.624   0.404  -4.433
  551    H    ASP  73           H        ASP  73   1.903   6.085  -2.717
  552    HA   ASP  73           HA       ASP  73  -0.415   6.876  -1.296
  553    HB2  ASP  73           HB3      ASP  73   1.996   7.100  -0.536
  554    HB3  ASP  73           HB2      ASP  73   2.105   8.532  -1.561
  555    H    ALA  74           H        ALA  74   1.241   8.454  -4.024
  556    HA   ALA  74           HA       ALA  74  -0.346  10.838  -3.990
  557    HB1  ALA  74           HB1      ALA  74   1.833  10.217  -5.348
  558    HB2  ALA  74           HB2      ALA  74   0.671  11.362  -6.019
  559    HB3  ALA  74           HB3      ALA  74   0.674   9.685  -6.565
  560    H    PHE  75           H        PHE  75  -0.751   7.739  -5.684
  561    HA   PHE  75           HA       PHE  75  -3.102   8.489  -7.133
  562    HB2  PHE  75           HB3      PHE  75  -1.737   6.450  -7.603
  563    HB3  PHE  75           HB2      PHE  75  -2.357   5.742  -6.114
  564    HD1  PHE  75           HD2      PHE  75  -3.279   6.948  -9.492
  565    HD2  PHE  75           HD1      PHE  75  -4.607   4.897  -5.958
  566    HE1  PHE  75           HE2      PHE  75  -5.317   6.200 -10.691
  567    HE2  PHE  75           HE1      PHE  75  -6.645   4.150  -7.158
  568    HZ   PHE  75           HZ       PHE  75  -7.000   4.801  -9.524
  569    H    VAL  76           H        VAL  76  -2.696   6.839  -3.994
  570    HA   VAL  76           HA       VAL  76  -5.498   6.631  -3.440
  571    HB   VAL  76           HB       VAL  76  -3.055   6.644  -1.651
  572   HG11  VAL  76          HG11      VAL  76  -4.998   5.404  -0.214
  573   HG12  VAL  76          HG12      VAL  76  -5.947   6.640  -1.039
  574   HG13  VAL  76          HG13      VAL  76  -4.581   7.107  -0.027
  575   HG21  VAL  76          HG21      VAL  76  -4.205   4.726  -3.401
  576   HG22  VAL  76          HG22      VAL  76  -4.573   4.197  -1.759
  577   HG23  VAL  76          HG23      VAL  76  -2.900   4.474  -2.242
  578    H    VAL  77           H        VAL  77  -3.046   9.070  -2.521
  579    HA   VAL  77           HA       VAL  77  -4.773  10.647  -0.895
  580    HB   VAL  77           HB       VAL  77  -2.311  11.337  -2.514
  581   HG11  VAL  77          HG11      VAL  77  -2.407  13.323  -0.750
  582   HG12  VAL  77          HG12      VAL  77  -4.141  13.022  -0.863
  583   HG13  VAL  77          HG13      VAL  77  -3.224  13.445  -2.308
  584   HG21  VAL  77          HG21      VAL  77  -2.292  11.496   0.424
  585   HG22  VAL  77          HG22      VAL  77  -1.142  10.721  -0.665
  586   HG23  VAL  77          HG23      VAL  77  -2.614   9.875  -0.191
  587    H    GLY  78           H        GLY  78  -4.051  10.772  -4.374
  588    HA2  GLY  78           HA3      GLY  78  -5.491  13.139  -4.978
  589    HA3  GLY  78           HA2      GLY  78  -5.189  11.834  -6.123
  590    H    ALA  79           H        ALA  79  -6.632   9.833  -4.475
  591    HA   ALA  79           HA       ALA  79  -9.381  10.707  -5.208
  592    HB1  ALA  79           HB1      ALA  79  -9.594   8.656  -6.096
  593    HB2  ALA  79           HB2      ALA  79  -9.249   7.927  -4.528
  594    HB3  ALA  79           HB3      ALA  79  -7.928   8.304  -5.635
  595    H    THR  80           H        THR  80  -7.680   8.916  -2.634
  596    HA   THR  80           HA       THR  80  -9.829   9.814  -0.758
  597    HB   THR  80           HB       THR  80  -8.277   7.225  -0.618
  598    HG1  THR  80           HG1      THR  80  -9.901   7.515  -2.347
  599   HG21  THR  80          HG21      THR  80 -10.641   8.284   0.952
  600   HG22  THR  80          HG22      THR  80  -9.001   8.065   1.565
  601   HG23  THR  80          HG23      THR  80  -9.967   6.662   1.108
  602    H    THR  81           H        THR  81  -9.127  10.754   1.123
  603    HA   THR  81           HA       THR  81  -6.194  10.706   1.669
  604    HB   THR  81           HB       THR  81  -6.578  12.871   0.797
  605    HG1  THR  81           HG1      THR  81  -5.939  12.552   3.259
  606   HG21  THR  81          HG21      THR  81  -8.840  13.212   0.573
  607   HG22  THR  81          HG22      THR  81  -8.565  14.189   2.015
  608   HG23  THR  81          HG23      THR  81  -9.205  12.553   2.168
  609    HA   PRO  82           HA       PRO  82  -8.462   9.403   5.454
  610    HB2  PRO  82           HB2      PRO  82  -6.764   7.388   6.153
  611    HB3  PRO  82           HB3      PRO  82  -8.072   7.185   4.972
  612    HG2  PRO  82           HG3      PRO  82  -5.162   7.457   4.542
  613    HG3  PRO  82           HG2      PRO  82  -6.371   6.579   3.595
  614    HD2  PRO  82           HD3      PRO  82  -5.283   9.088   2.949
  615    HD3  PRO  82           HD2      PRO  82  -6.737   8.369   2.226
  616    HA   PRO  83           HA       PRO  83  -6.061  11.537   8.486
  617    HB2  PRO  83           HB2      PRO  83  -6.459   9.927  10.715
  618    HB3  PRO  83           HB3      PRO  83  -7.607  11.143  10.128
  619    HG2  PRO  83           HG3      PRO  83  -7.619   8.197   9.767
  620    HG3  PRO  83           HG2      PRO  83  -8.974   9.318   9.982
  621    HD2  PRO  83           HD3      PRO  83  -8.326   8.267   7.555
  622    HD3  PRO  83           HD2      PRO  83  -9.042   9.884   7.734
  623    H    VAL  84           H        VAL  84  -4.003  11.458   9.562
  624    HA   VAL  84           HA       VAL  84  -2.491   8.914   9.096
  625    HB   VAL  84           HB       VAL  84  -1.789  10.883   7.714
  626   HG11  VAL  84          HG11      VAL  84  -2.267  12.357   9.935
  627   HG12  VAL  84          HG12      VAL  84  -1.191  12.889   8.643
  628   HG13  VAL  84          HG13      VAL  84  -0.524  12.135  10.092
  629   HG21  VAL  84          HG21      VAL  84   0.634  10.698   8.316
  630   HG22  VAL  84          HG22      VAL  84  -0.169   9.131   8.233
  631   HG23  VAL  84          HG23      VAL  84   0.168   9.867   9.800
  632    H    GLU  85           H        GLU  85  -1.394   8.045  10.789
  633    HA   GLU  85           HA       GLU  85  -1.171   9.624  13.302
  634    HB2  GLU  85           HB3      GLU  85  -2.073   6.734  13.078
  635    HB3  GLU  85           HB2      GLU  85  -1.793   7.604  14.587
  636    HG2  GLU  85           HG3      GLU  85  -3.535   9.254  13.928
  637    HG3  GLU  85           HG2      GLU  85  -3.850   8.309  12.473
  638    H    ALA  86           H        ALA  86   0.416   8.350  14.845
  639    HA   ALA  86           HA       ALA  86   2.950   8.206  13.683
  640    HB1  ALA  86           HB1      ALA  86   3.702   7.212  15.680
  641    HB2  ALA  86           HB2      ALA  86   2.202   6.314  15.907
  642    HB3  ALA  86           HB3      ALA  86   2.239   8.055  16.191
  643    H    LYS  87           H        LYS  87   4.115   6.604  12.603
  644    HA   LYS  87           HA       LYS  87   2.703   4.642  11.119
  645    HB2  LYS  87           HB3      LYS  87   5.006   5.568  10.602
  646    HB3  LYS  87           HB2      LYS  87   5.638   4.500  11.855
  647    HG2  LYS  87           HG3      LYS  87   4.702   2.547  10.663
  648    HG3  LYS  87           HG2      LYS  87   4.084   3.617   9.404
  649    HD2  LYS  87           HD3      LYS  87   6.466   4.413   9.053
  650    HD3  LYS  87           HD2      LYS  87   6.981   3.108  10.122
  651    HE2  LYS  87           HE3      LYS  87   5.558   1.588   8.537
  652    HE3  LYS  87           HE2      LYS  87   5.713   2.926   7.399
  653    HZ1  LYS  87           HZ1      LYS  87   7.639   1.953   6.880
  654    HZ2  LYS  87           HZ2      LYS  87   7.697   1.044   8.310
  655    HZ3  LYS  87           HZ3      LYS  87   8.226   2.658   8.310
  656    H    LEU  88           H        LEU  88   4.355   4.436  14.241
  657    HA   LEU  88           HA       LEU  88   3.693   1.549  14.421
  658    HB2  LEU  88           HB3      LEU  88   5.158   3.324  16.399
  659    HB3  LEU  88           HB2      LEU  88   5.048   1.565  16.454
  660    HG   LEU  88           HG       LEU  88   6.379   3.210  14.282
  661   HD11  LEU  88          HD11      LEU  88   7.400   2.613  16.710
  662   HD12  LEU  88          HD12      LEU  88   8.389   2.678  15.251
  663   HD13  LEU  88          HD13      LEU  88   7.805   1.126  15.852
  664   HD21  LEU  88          HD21      LEU  88   5.620   0.319  14.512
  665   HD22  LEU  88          HD22      LEU  88   7.135   0.729  13.708
  666   HD23  LEU  88          HD23      LEU  88   5.611   1.367  13.093
  667    H    GLN  89           H        GLN  89   2.172   0.756  15.889
  668    HA   GLN  89           HA       GLN  89   0.798   2.715  17.654
  669    HB2  GLN  89           HB3      GLN  89  -0.586   0.902  15.653
  670    HB3  GLN  89           HB2      GLN  89  -1.414   1.828  16.907
  671    HG2  GLN  89           HG3      GLN  89  -0.549   3.922  15.957
  672    HG3  GLN  89           HG2      GLN  89   0.325   3.014  14.723
  673   HE21  GLN  89          HE22      GLN  89  -1.652   4.928  13.974
  674   HE22  GLN  89          HE21      GLN  89  -2.975   4.106  13.299
  675    H1   PN7 101           3HO      SAT  38  -0.843  -5.699 -13.291
  676    H2   PN7 101           1H1      SAT  38   2.190  -9.132 -11.942
  677    H3   PN7 101           2H1      SAT  38   2.738  -7.912 -10.794
  678    H5   PN7 101          3HE1      SAT  38   1.543  -6.588 -14.316
  679    H6   PN7 101          1HE1      SAT  38   1.551  -8.333 -14.060
  680    H7   PN7 101          2HE1      SAT  38   2.974  -7.376 -13.651
  681    H8   PN7 101          2HE2      SAT  38   1.687  -5.782 -10.666
  682    H9   PN7 101          3HE2      SAT  38   1.198  -5.038 -12.188
  683    H10  PN7 101          1HE2      SAT  38   2.838  -5.655 -11.994
  684    H11  PN7 101           3H       SAT  38  -0.504  -8.260 -12.254
  685    H12  PN7 101           5H       SAT  38  -0.437  -4.525 -11.335
  686    H13  PN7 101           2H6      SAT  38  -2.617  -4.245 -12.376
  687    H14  PN7 101           1H6      SAT  38  -2.977  -4.465 -10.665
  688    H15  PN7 101           1H7      SAT  38  -2.756  -6.774 -12.612
  689    H16  PN7 101           2H7      SAT  38  -4.282  -5.971 -12.243
  690    H17  PN7 101           9H       SAT  38  -4.048  -8.762 -11.422
  691    H18  PN7 101          2H10      SAT  38  -6.110  -7.933  -9.877
  692    H19  PN7 101          1H10      SAT  38  -4.831  -8.061  -8.669
  693    H20  PN7 101          1H11      SAT  38  -6.476 -10.141  -9.607
  694    H21  PN7 101          2H11      SAT  38  -5.044 -10.304  -8.590
  695    H22  PN7 101          2HS1      SAT  38  -4.333 -10.100 -11.551
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1  -3.058  12.182   3.003
    2    H2   MET   1           H2       MET   1  -4.497  11.310   3.238
    3    H3   MET   1           H3       MET   1  -3.416  10.856   2.009
    4    HA   MET   1           HA       MET   1  -2.048   9.763   3.393
    5    HB2  MET   1           HB3      MET   1  -2.810  11.882   5.412
    6    HB3  MET   1           HB2      MET   1  -1.762  10.517   5.800
    7    HG2  MET   1           HG3      MET   1  -0.261  11.195   3.919
    8    HG3  MET   1           HG2      MET   1  -1.266  12.625   3.679
    9    HE1  MET   1           HE1      MET   1  -1.923  13.326   7.038
   10    HE2  MET   1           HE2      MET   1  -2.010  14.047   5.433
   11    HE3  MET   1           HE3      MET   1  -0.953  14.749   6.666
   12    H    GLN   2           H        GLN   2  -4.426  10.769   5.838
   13    HA   GLN   2           HA       GLN   2  -5.946   9.454   7.058
   14    HB2  GLN   2           HB3      GLN   2  -6.192   8.133   4.337
   15    HB3  GLN   2           HB2      GLN   2  -7.315   7.897   5.677
   16    HG2  GLN   2           HG3      GLN   2  -7.748  10.353   5.702
   17    HG3  GLN   2           HG2      GLN   2  -6.708  10.523   4.288
   18   HE21  GLN   2          HE22      GLN   2  -8.109   7.566   3.861
   19   HE22  GLN   2          HE21      GLN   2  -9.477   8.017   2.963
   20    H    HIS   3           H        HIS   3  -4.032   8.610   8.248
   21    HA   HIS   3           HA       HIS   3  -2.806   6.841   9.165
   22    HB2  HIS   3           HB3      HIS   3  -5.217   5.537   7.991
   23    HB3  HIS   3           HB2      HIS   3  -3.871   4.484   8.417
   24    HD1  HIS   3           HD1      HIS   3  -5.433   3.557  10.378
   25    HD2  HIS   3           HD2      HIS   3  -4.292   7.552  10.751
   26    HE1  HIS   3           HE1      HIS   3  -5.905   4.218  12.780
   27    HE2  HIS   3           HE2      HIS   3  -5.214   6.647  13.016
   28    H    ALA   4           H        ALA   4  -1.837   7.975   6.793
   29    HA   ALA   4           HA       ALA   4  -1.205   6.092   4.746
   30    HB1  ALA   4           HB1      ALA   4   0.953   7.808   4.788
   31    HB2  ALA   4           HB2      ALA   4  -0.310   8.769   5.557
   32    HB3  ALA   4           HB3      ALA   4  -0.563   8.111   3.941
   33    H    SER   5           H        SER   5   0.319   6.805   7.853
   34    HA   SER   5           HA       SER   5   2.770   5.440   7.430
   35    HB2  SER   5           HB3      SER   5   2.231   6.879   9.417
   36    HB3  SER   5           HB2      SER   5   1.214   5.578  10.026
   37    HG   SER   5           HG       SER   5   3.118   4.236   9.906
   38    H    VAL   6           H        VAL   6  -0.385   4.206   8.513
   39    HA   VAL   6           HA       VAL   6   0.506   1.541   9.055
   40    HB   VAL   6           HB       VAL   6  -2.189   2.589   8.175
   41   HG11  VAL   6          HG11      VAL   6  -2.995   0.363   9.111
   42   HG12  VAL   6          HG12      VAL   6  -1.312  -0.165   9.070
   43   HG13  VAL   6          HG13      VAL   6  -2.137   0.267   7.573
   44   HG21  VAL   6          HG21      VAL   6  -0.866   2.959  10.543
   45   HG22  VAL   6          HG22      VAL   6  -1.761   1.477  10.877
   46   HG23  VAL   6          HG23      VAL   6  -2.622   2.936  10.386
   47    H    ILE   7           H        ILE   7  -0.718   3.114   6.141
   48    HA   ILE   7           HA       ILE   7  -0.724   0.802   4.465
   49    HB   ILE   7           HB       ILE   7  -0.313   3.718   3.748
   50   HG12  ILE   7          HG13      ILE   7  -2.842   2.037   3.770
   51   HG13  ILE   7          HG12      ILE   7  -2.396   3.169   5.047
   52   HG21  ILE   7          HG21      ILE   7  -1.008   1.258   2.124
   53   HG22  ILE   7          HG22      ILE   7   0.316   2.393   1.859
   54   HG23  ILE   7          HG23      ILE   7  -1.348   2.892   1.554
   55   HD11  ILE   7          HD11      ILE   7  -2.162   4.879   3.069
   56   HD12  ILE   7          HD12      ILE   7  -3.763   4.497   3.701
   57   HD13  ILE   7          HD13      ILE   7  -3.199   3.740   2.211
   58    H    ALA   8           H        ALA   8   1.743   3.340   4.943
   59    HA   ALA   8           HA       ALA   8   3.650   2.223   3.129
   60    HB1  ALA   8           HB1      ALA   8   3.752   4.187   5.378
   61    HB2  ALA   8           HB2      ALA   8   4.213   4.393   3.688
   62    HB3  ALA   8           HB3      ALA   8   5.276   3.518   4.792
   63    H    GLN   9           H        GLN   9   3.394   1.916   6.682
   64    HA   GLN   9           HA       GLN   9   5.600   0.074   6.839
   65    HB2  GLN   9           HB3      GLN   9   5.113  -0.121   9.130
   66    HB3  GLN   9           HB2      GLN   9   4.569   1.507   8.731
   67    HG2  GLN   9           HG3      GLN   9   2.751   0.657   9.928
   68    HG3  GLN   9           HG2      GLN   9   2.281   0.351   8.259
   69   HE21  GLN   9          HE22      GLN   9   1.068  -1.591   8.595
   70   HE22  GLN   9          HE21      GLN   9   1.758  -3.018   9.201
   71    H    PHE  10           H        PHE  10   2.081  -0.374   6.671
   72    HA   PHE  10           HA       PHE  10   2.140  -3.225   6.963
   73    HB2  PHE  10           HB3      PHE  10   0.076  -1.825   7.164
   74    HB3  PHE  10           HB2      PHE  10   0.130  -1.558   5.421
   75    HD1  PHE  10           HD1      PHE  10  -0.318  -4.093   8.079
   76    HD2  PHE  10           HD2      PHE  10  -0.481  -3.294   3.862
   77    HE1  PHE  10           HE1      PHE  10  -1.483  -6.251   7.716
   78    HE2  PHE  10           HE2      PHE  10  -1.646  -5.454   3.498
   79    HZ   PHE  10           HZ       PHE  10  -2.147  -6.931   5.426
   80    H    VAL  11           H        VAL  11   2.050  -1.154   4.064
   81    HA   VAL  11           HA       VAL  11   2.204  -3.322   2.186
   82    HB   VAL  11           HB       VAL  11   3.075  -0.429   1.902
   83   HG11  VAL  11          HG11      VAL  11   2.171  -1.581  -0.538
   84   HG12  VAL  11          HG12      VAL  11   3.358  -2.685   0.155
   85   HG13  VAL  11          HG13      VAL  11   3.791  -1.003  -0.148
   86   HG21  VAL  11          HG21      VAL  11   0.607  -1.132   2.510
   87   HG22  VAL  11          HG22      VAL  11   0.536  -1.607   0.813
   88   HG23  VAL  11          HG23      VAL  11   0.892   0.065   1.246
   89    H    VAL  12           H        VAL  12   4.682  -1.182   3.588
   90    HA   VAL  12           HA       VAL  12   6.902  -2.356   2.217
   91    HB   VAL  12           HB       VAL  12   6.796  -0.914   4.871
   92   HG11  VAL  12          HG11      VAL  12   9.191  -0.515   4.517
   93   HG12  VAL  12          HG12      VAL  12   9.135  -1.435   3.014
   94   HG13  VAL  12          HG13      VAL  12   8.867  -2.245   4.553
   95   HG21  VAL  12          HG21      VAL  12   6.068   0.115   2.501
   96   HG22  VAL  12          HG22      VAL  12   7.814   0.320   2.356
   97   HG23  VAL  12          HG23      VAL  12   6.947   1.064   3.700
   98    H    GLU  13           H        GLU  13   5.253  -3.169   5.229
   99    HA   GLU  13           HA       GLU  13   7.126  -4.974   6.325
  100    HB2  GLU  13           HB3      GLU  13   5.028  -4.256   7.460
  101    HB3  GLU  13           HB2      GLU  13   4.120  -5.271   6.347
  102    HG2  GLU  13           HG3      GLU  13   5.425  -7.242   7.127
  103    HG3  GLU  13           HG2      GLU  13   6.223  -6.203   8.305
  104    H    GLU  14           H        GLU  14   4.907  -5.341   3.643
  105    HA   GLU  14           HA       GLU  14   5.041  -8.194   3.422
  106    HB2  GLU  14           HB3      GLU  14   3.358  -6.767   2.262
  107    HB3  GLU  14           HB2      GLU  14   4.638  -6.150   1.219
  108    HG2  GLU  14           HG3      GLU  14   3.535  -7.936   0.035
  109    HG3  GLU  14           HG2      GLU  14   5.116  -8.531   0.540
  110    H    PHE  15           H        PHE  15   7.174  -5.606   2.344
  111    HA   PHE  15           HA       PHE  15   9.168  -7.677   1.603
  112    HB2  PHE  15           HB3      PHE  15   9.672  -6.639  -0.524
  113    HB3  PHE  15           HB2      PHE  15   7.941  -6.967  -0.482
  114    HD1  PHE  15           HD2      PHE  15   6.353  -5.086   0.162
  115    HD2  PHE  15           HD1      PHE  15  10.493  -4.421  -0.767
  116    HE1  PHE  15           HE2      PHE  15   5.884  -2.679  -0.201
  117    HE2  PHE  15           HE1      PHE  15  10.024  -2.013  -1.126
  118    HZ   PHE  15           HZ       PHE  15   7.720  -1.142  -0.845
  119    H    LEU  16           H        LEU  16   9.179  -6.120   3.933
  120    HA   LEU  16           HA       LEU  16  10.815  -3.761   3.491
  121    HB2  LEU  16           HB3      LEU  16  10.482  -3.271   5.694
  122    HB3  LEU  16           HB2      LEU  16   9.141  -4.372   5.473
  123    HG   LEU  16           HG       LEU  16  11.860  -5.106   6.614
  124   HD11  LEU  16          HD11      LEU  16   9.157  -4.566   7.833
  125   HD12  LEU  16          HD12      LEU  16  10.711  -3.842   8.247
  126   HD13  LEU  16          HD13      LEU  16  10.382  -5.523   8.666
  127   HD21  LEU  16          HD21      LEU  16  10.098  -6.795   5.319
  128   HD22  LEU  16          HD22      LEU  16   9.561  -6.915   6.990
  129   HD23  LEU  16          HD23      LEU  16  11.229  -7.298   6.568
  130    HA   PRO  17           HA       PRO  17  14.623  -6.135   3.550
  131    HB2  PRO  17           HB2      PRO  17  16.375  -4.062   3.398
  132    HB3  PRO  17           HB3      PRO  17  15.393  -4.562   2.011
  133    HG2  PRO  17           HG3      PRO  17  14.982  -2.295   3.898
  134    HG3  PRO  17           HG2      PRO  17  14.771  -2.352   2.141
  135    HD2  PRO  17           HD3      PRO  17  12.692  -2.542   3.928
  136    HD3  PRO  17           HD2      PRO  17  12.660  -3.238   2.294
  137    H    ASP  18           H        ASP  18  16.952  -4.843   4.847
  138    HA   ASP  18           HA       ASP  18  16.306  -5.528   7.607
  139    HB2  ASP  18           HB3      ASP  18  18.680  -5.107   8.021
  140    HB3  ASP  18           HB2      ASP  18  18.503  -6.088   6.571
  141    H    VAL  19           H        VAL  19  15.350  -2.993   5.996
  142    HA   VAL  19           HA       VAL  19  16.108  -0.982   8.080
  143    HB   VAL  19           HB       VAL  19  15.027  -0.482   5.293
  144   HG11  VAL  19          HG11      VAL  19  15.723   1.827   5.726
  145   HG12  VAL  19          HG12      VAL  19  16.338   1.364   7.314
  146   HG13  VAL  19          HG13      VAL  19  14.607   1.295   6.984
  147   HG21  VAL  19          HG21      VAL  19  17.528   0.408   5.120
  148   HG22  VAL  19          HG22      VAL  19  17.152  -1.287   4.808
  149   HG23  VAL  19          HG23      VAL  19  17.805  -0.802   6.373
  150    H    ALA  20           H        ALA  20  14.465  -0.057   9.271
  151    HA   ALA  20           HA       ALA  20  11.837  -1.254   9.171
  152    HB1  ALA  20           HB1      ALA  20  12.366   1.333  10.589
  153    HB2  ALA  20           HB2      ALA  20  13.143  -0.140  11.172
  154    HB3  ALA  20           HB3      ALA  20  11.383  -0.038  11.104
  155    HA   PRO  21           HA       PRO  21  10.013   1.280   5.941
  156    HB2  PRO  21           HB2      PRO  21   7.643   1.396   7.748
  157    HB3  PRO  21           HB3      PRO  21   7.737   0.927   6.040
  158    HG2  PRO  21           HG3      PRO  21   7.450  -0.868   8.013
  159    HG3  PRO  21           HG2      PRO  21   8.337  -1.217   6.522
  160    HD2  PRO  21           HD3      PRO  21   9.387  -0.792   9.258
  161    HD3  PRO  21           HD2      PRO  21  10.105  -1.660   7.882
  162    H    ALA  22           H        ALA  22   9.728   2.219   9.336
  163    HA   ALA  22           HA       ALA  22   9.046   4.979   8.832
  164    HB1  ALA  22           HB1      ALA  22   8.575   4.511  11.026
  165    HB2  ALA  22           HB2      ALA  22  10.231   5.067  11.267
  166    HB3  ALA  22           HB3      ALA  22   9.887   3.340  11.162
  167    H    ASP  23           H        ASP  23  12.010   3.169   8.811
  168    HA   ASP  23           HA       ASP  23  13.598   5.689   8.718
  169    HB2  ASP  23           HB3      ASP  23  14.436   2.803   9.125
  170    HB3  ASP  23           HB2      ASP  23  15.564   4.154   8.999
  171    H    VAL  24           H        VAL  24  11.973   3.923   6.587
  172    HA   VAL  24           HA       VAL  24  14.156   3.752   4.574
  173    HB   VAL  24           HB       VAL  24  12.251   1.940   5.075
  174   HG11  VAL  24          HG11      VAL  24  10.316   2.178   3.718
  175   HG12  VAL  24          HG12      VAL  24  11.008   3.534   2.829
  176   HG13  VAL  24          HG13      VAL  24  10.505   3.744   4.505
  177   HG21  VAL  24          HG21      VAL  24  12.410   1.455   2.484
  178   HG22  VAL  24          HG22      VAL  24  13.853   1.343   3.491
  179   HG23  VAL  24          HG23      VAL  24  13.571   2.783   2.513
  180    H    ASP  25           H        ASP  25  14.090   5.008   2.684
  181    HA   ASP  25           HA       ASP  25  12.717   7.534   2.888
  182    HB2  ASP  25           HB3      ASP  25  14.177   6.225   0.575
  183    HB3  ASP  25           HB2      ASP  25  13.585   7.886   0.556
  184    H    VAL  26           H        VAL  26  10.470   7.041   3.015
  185    HA   VAL  26           HA       VAL  26   9.066   5.365   1.177
  186    HB   VAL  26           HB       VAL  26   7.052   6.507   1.954
  187   HG11  VAL  26          HG11      VAL  26   9.134   5.501   3.713
  188   HG12  VAL  26          HG12      VAL  26   7.389   5.258   3.801
  189   HG13  VAL  26          HG13      VAL  26   8.120   6.681   4.544
  190   HG21  VAL  26          HG21      VAL  26   7.220   8.756   2.173
  191   HG22  VAL  26          HG22      VAL  26   8.973   8.681   2.347
  192   HG23  VAL  26          HG23      VAL  26   7.937   8.437   3.753
  193    H    ASP  27           H        ASP  27  10.873   7.948   0.377
  194    HA   ASP  27           HA       ASP  27   8.996   9.124  -1.585
  195    HB2  ASP  27           HB3      ASP  27  11.881   9.758  -0.892
  196    HB3  ASP  27           HB2      ASP  27  10.944  10.618  -2.114
  197    H    LEU  28           H        LEU  28  10.585   6.347  -1.497
  198    HA   LEU  28           HA       LEU  28  11.862   6.479  -4.163
  199    HB2  LEU  28           HB3      LEU  28  12.909   5.204  -2.271
  200    HB3  LEU  28           HB2      LEU  28  11.530   4.110  -2.300
  201    HG   LEU  28           HG       LEU  28  12.104   3.853  -4.840
  202   HD11  LEU  28          HD11      LEU  28  14.081   4.663  -5.600
  203   HD12  LEU  28          HD12      LEU  28  14.931   4.224  -4.119
  204   HD13  LEU  28          HD13      LEU  28  14.017   5.729  -4.197
  205   HD21  LEU  28          HD21      LEU  28  13.991   2.180  -4.109
  206   HD22  LEU  28          HD22      LEU  28  12.342   1.926  -3.535
  207   HD23  LEU  28          HD23      LEU  28  13.540   2.673  -2.476
  208    H    ASP  29           H        ASP  29  10.882   5.721  -5.998
  209    HA   ASP  29           HA       ASP  29   8.077   5.099  -5.958
  210    HB2  ASP  29           HB3      ASP  29  10.178   4.676  -8.109
  211    HB3  ASP  29           HB2      ASP  29   8.444   4.465  -8.360
  212    H    LEU  30           H        LEU  30   7.190   3.187  -5.358
  213    HA   LEU  30           HA       LEU  30   8.865   0.882  -4.828
  214    HB2  LEU  30           HB3      LEU  30   6.667  -0.236  -4.317
  215    HB3  LEU  30           HB2      LEU  30   6.924   1.266  -3.427
  216    HG   LEU  30           HG       LEU  30   5.687   1.784  -5.999
  217   HD11  LEU  30          HD11      LEU  30   4.384  -0.215  -4.141
  218   HD12  LEU  30          HD12      LEU  30   4.647  -0.358  -5.879
  219   HD13  LEU  30          HD13      LEU  30   3.448   0.777  -5.259
  220   HD21  LEU  30          HD21      LEU  30   4.232   3.127  -4.664
  221   HD22  LEU  30          HD22      LEU  30   5.806   3.210  -3.874
  222   HD23  LEU  30          HD23      LEU  30   4.547   2.161  -3.223
  223    H    VAL  31           H        VAL  31   8.024   2.069  -7.715
  224    HA   VAL  31           HA       VAL  31   6.749   0.013  -9.154
  225    HB   VAL  31           HB       VAL  31   7.537   2.313 -10.002
  226   HG11  VAL  31          HG11      VAL  31   9.943   1.813  -9.290
  227   HG12  VAL  31          HG12      VAL  31   9.740   2.479 -10.911
  228   HG13  VAL  31          HG13      VAL  31  10.035   0.753 -10.697
  229   HG21  VAL  31          HG21      VAL  31   8.030  -0.168 -11.682
  230   HG22  VAL  31          HG22      VAL  31   7.786   1.458 -12.321
  231   HG23  VAL  31          HG23      VAL  31   6.478   0.642 -11.464
  232    H    ASP  32           H        ASP  32  10.153   0.320  -8.214
  233    HA   ASP  32           HA       ASP  32  11.141  -1.961  -9.606
  234    HB2  ASP  32           HB3      ASP  32  12.527  -0.245  -8.340
  235    HB3  ASP  32           HB2      ASP  32  12.033  -1.053  -6.852
  236    H    ASN  33           H        ASN  33   9.439  -1.581  -6.558
  237    HA   ASN  33           HA       ASN  33   9.580  -4.448  -5.934
  238    HB2  ASN  33           HB3      ASN  33   8.007  -2.233  -4.608
  239    HB3  ASN  33           HB2      ASN  33   8.261  -3.852  -3.961
  240   HD21  ASN  33          HD22      ASN  33   9.295  -0.856  -3.395
  241   HD22  ASN  33          HD21      ASN  33  10.923  -1.133  -3.006
  242    H    GLY  34           H        GLY  34   8.124  -3.065  -8.320
  243    HA2  GLY  34           HA3      GLY  34   5.376  -3.216  -8.227
  244    HA3  GLY  34           HA2      GLY  34   6.292  -3.775  -9.628
  245    H    VAL  35           H        VAL  35   7.551  -5.766  -7.552
  246    HA   VAL  35           HA       VAL  35   6.139  -8.077  -8.327
  247    HB   VAL  35           HB       VAL  35   7.717  -7.512  -5.801
  248   HG11  VAL  35          HG11      VAL  35   7.853 -10.085  -5.762
  249   HG12  VAL  35          HG12      VAL  35   6.456 -10.054  -6.839
  250   HG13  VAL  35          HG13      VAL  35   6.339  -9.358  -5.223
  251   HG21  VAL  35          HG21      VAL  35   8.433  -7.958  -8.516
  252   HG22  VAL  35          HG22      VAL  35   8.862  -9.419  -7.627
  253   HG23  VAL  35          HG23      VAL  35   9.509  -7.858  -7.122
  254    H    ILE  36           H        ILE  36   5.569  -5.866  -5.644
  255    HA   ILE  36           HA       ILE  36   3.512  -7.428  -4.356
  256    HB   ILE  36           HB       ILE  36   4.913  -5.364  -3.510
  257   HG12  ILE  36          HG13      ILE  36   1.968  -5.766  -2.905
  258   HG13  ILE  36          HG12      ILE  36   3.324  -6.574  -2.122
  259   HG21  ILE  36          HG21      ILE  36   2.413  -3.930  -4.401
  260   HG22  ILE  36          HG22      ILE  36   3.847  -3.977  -5.427
  261   HG23  ILE  36          HG23      ILE  36   3.931  -3.240  -3.827
  262   HD11  ILE  36          HD11      ILE  36   2.616  -4.769  -0.679
  263   HD12  ILE  36          HD12      ILE  36   2.667  -3.622  -2.018
  264   HD13  ILE  36          HD13      ILE  36   4.164  -4.318  -1.395
  265    H    ASP  37           H        ASP  37   3.559  -5.324  -7.104
  266    HA   ASP  37           HA       ASP  37   0.903  -4.384  -7.150
  267    HB2  ASP  37           HB3      ASP  37   2.677  -5.155  -9.478
  268    HB3  ASP  37           HB2      ASP  37   1.186  -4.228  -9.617
  269    H    SER  38           H        SER  38   2.119  -7.588  -8.079
  270    HA   SER  38           HA       SER  38  -0.689  -8.307  -8.820
  271    HB2  SER  38           2HB      SER  38   1.826  -9.781  -9.602
  272    HB3  SER  38           1HB      SER  38   0.202 -10.028 -10.235
  273    H    LEU  39           H        LEU  39   2.173 -10.084  -7.592
  274    HA   LEU  39           HA       LEU  39   0.572 -12.084  -6.330
  275    HB2  LEU  39           HB3      LEU  39   3.442 -11.251  -6.048
  276    HB3  LEU  39           HB2      LEU  39   2.765 -12.503  -5.012
  277    HG   LEU  39           HG       LEU  39   3.884 -13.345  -7.131
  278   HD11  LEU  39          HD11      LEU  39   1.460 -14.137  -5.882
  279   HD12  LEU  39          HD12      LEU  39   2.568 -15.141  -6.816
  280   HD13  LEU  39          HD13      LEU  39   1.224 -14.329  -7.619
  281   HD21  LEU  39          HD21      LEU  39   2.753 -13.049  -9.237
  282   HD22  LEU  39          HD22      LEU  39   2.969 -11.446  -8.536
  283   HD23  LEU  39          HD23      LEU  39   1.395 -12.238  -8.458
  284    H    GLY  40           H        GLY  40   2.332  -9.329  -4.916
  285    HA2  GLY  40           HA3      GLY  40   1.272  -9.775  -2.272
  286    HA3  GLY  40           HA2      GLY  40   2.085  -8.314  -2.821
  287    H    LEU  41           H        LEU  41   0.342  -7.709  -4.995
  288    HA   LEU  41           HA       LEU  41  -1.647  -6.178  -3.670
  289    HB2  LEU  41           HB3      LEU  41  -0.797  -5.774  -5.994
  290    HB3  LEU  41           HB2      LEU  41  -1.730  -7.170  -6.533
  291    HG   LEU  41           HG       LEU  41  -3.723  -5.920  -5.344
  292   HD11  LEU  41          HD11      LEU  41  -2.403  -4.133  -4.352
  293   HD12  LEU  41          HD12      LEU  41  -3.460  -3.444  -5.584
  294   HD13  LEU  41          HD13      LEU  41  -1.749  -3.696  -5.930
  295   HD21  LEU  41          HD21      LEU  41  -2.582  -4.904  -7.965
  296   HD22  LEU  41          HD22      LEU  41  -4.275  -4.866  -7.473
  297   HD23  LEU  41          HD23      LEU  41  -3.483  -6.410  -7.787
  298    H    LEU  42           H        LEU  42  -1.825  -9.372  -5.214
  299    HA   LEU  42           HA       LEU  42  -4.646  -9.723  -4.915
  300    HB2  LEU  42           HB3      LEU  42  -3.123 -11.193  -6.288
  301    HB3  LEU  42           HB2      LEU  42  -2.528 -11.887  -4.786
  302    HG   LEU  42           HG       LEU  42  -5.083 -12.261  -4.283
  303   HD11  LEU  42          HD11      LEU  42  -5.365 -11.008  -6.661
  304   HD12  LEU  42          HD12      LEU  42  -6.530 -12.182  -6.049
  305   HD13  LEU  42          HD13      LEU  42  -5.298 -12.681  -7.209
  306   HD21  LEU  42          HD21      LEU  42  -3.347 -14.029  -4.601
  307   HD22  LEU  42          HD22      LEU  42  -3.611 -13.939  -6.342
  308   HD23  LEU  42          HD23      LEU  42  -4.907 -14.491  -5.281
  309    H    LYS  43           H        LYS  43  -1.911 -10.500  -2.771
  310    HA   LYS  43           HA       LYS  43  -3.475 -11.698  -0.695
  311    HB2  LYS  43           HB3      LYS  43  -0.827 -10.243  -0.584
  312    HB3  LYS  43           HB2      LYS  43  -1.499 -11.192   0.737
  313    HG2  LYS  43           HG3      LYS  43  -1.565 -13.177  -0.777
  314    HG3  LYS  43           HG2      LYS  43  -0.766 -12.213  -2.020
  315    HD2  LYS  43           HD3      LYS  43   1.122 -11.810  -0.432
  316    HD3  LYS  43           HD2      LYS  43   0.341 -12.895   0.719
  317    HE2  LYS  43           HE3      LYS  43   0.344 -14.379  -1.618
  318    HE3  LYS  43           HE2      LYS  43   1.891 -13.536  -1.684
  319    HZ1  LYS  43           HZ1      LYS  43   2.686 -14.708   0.022
  320    HZ2  LYS  43           HZ2      LYS  43   1.413 -15.788  -0.280
  321    HZ3  LYS  43           HZ3      LYS  43   1.245 -14.591   0.915
  322    H    VAL  44           H        VAL  44  -2.548  -8.361  -1.400
  323    HA   VAL  44           HA       VAL  44  -3.409  -7.160   1.035
  324    HB   VAL  44           HB       VAL  44  -3.340  -6.104  -1.802
  325   HG11  VAL  44          HG11      VAL  44  -3.421  -3.852  -0.644
  326   HG12  VAL  44          HG12      VAL  44  -3.901  -4.705   0.822
  327   HG13  VAL  44          HG13      VAL  44  -4.935  -4.755  -0.604
  328   HG21  VAL  44          HG21      VAL  44  -1.286  -6.788  -0.136
  329   HG22  VAL  44          HG22      VAL  44  -1.530  -5.100   0.312
  330   HG23  VAL  44          HG23      VAL  44  -1.177  -5.525  -1.363
  331    H    ILE  45           H        ILE  45  -5.212  -7.809  -1.974
  332    HA   ILE  45           HA       ILE  45  -7.661  -6.619  -1.164
  333    HB   ILE  45           HB       ILE  45  -6.838  -8.674  -3.165
  334   HG12  ILE  45          HG13      ILE  45  -8.107  -7.102  -4.649
  335   HG13  ILE  45          HG12      ILE  45  -8.468  -6.115  -3.233
  336   HG21  ILE  45          HG21      ILE  45  -9.638  -8.300  -2.112
  337   HG22  ILE  45          HG22      ILE  45  -8.764  -9.805  -2.394
  338   HG23  ILE  45          HG23      ILE  45  -9.340  -8.851  -3.760
  339   HD11  ILE  45          HD11      ILE  45  -5.714  -6.761  -4.321
  340   HD12  ILE  45          HD12      ILE  45  -6.015  -5.877  -2.826
  341   HD13  ILE  45          HD13      ILE  45  -6.519  -5.193  -4.371
  342    H    ALA  46           H        ALA  46  -6.556 -10.004  -0.879
  343    HA   ALA  46           HA       ALA  46  -8.888 -10.960   0.469
  344    HB1  ALA  46           HB1      ALA  46  -6.021 -11.898   0.351
  345    HB2  ALA  46           HB2      ALA  46  -7.436 -12.602  -0.435
  346    HB3  ALA  46           HB3      ALA  46  -7.231 -12.751   1.311
  347    H    TRP  47           H        TRP  47  -5.827  -9.631   1.696
  348    HA   TRP  47           HA       TRP  47  -6.462 -10.048   4.475
  349    HB2  TRP  47           HB3      TRP  47  -4.198  -9.703   4.197
  350    HB3  TRP  47           HB2      TRP  47  -4.430  -8.502   2.928
  351    HD1  TRP  47           HD1      TRP  47  -4.598  -8.884   6.747
  352    HE1  TRP  47           HE1      TRP  47  -4.341  -6.545   7.804
  353    HE3  TRP  47           HE3      TRP  47  -4.662  -6.002   2.540
  354    HZ2  TRP  47           HZ2      TRP  47  -4.185  -3.811   6.969
  355    HZ3  TRP  47           HZ3      TRP  47  -4.457  -3.540   2.694
  356    HH2  TRP  47           HH2      TRP  47  -4.218  -2.446   4.895
  357    H    LEU  48           H        LEU  48  -6.922  -7.333   2.241
  358    HA   LEU  48           HA       LEU  48  -7.806  -5.425   4.161
  359    HB2  LEU  48           HB3      LEU  48  -7.206  -4.977   1.743
  360    HB3  LEU  48           HB2      LEU  48  -8.753  -5.676   1.300
  361    HG   LEU  48           HG       LEU  48  -9.813  -4.000   2.901
  362   HD11  LEU  48          HD11      LEU  48  -8.454  -2.661   4.087
  363   HD12  LEU  48          HD12      LEU  48  -7.767  -2.027   2.593
  364   HD13  LEU  48          HD13      LEU  48  -7.055  -3.446   3.357
  365   HD21  LEU  48          HD21      LEU  48  -8.733  -3.662   0.213
  366   HD22  LEU  48          HD22      LEU  48  -8.920  -2.117   1.043
  367   HD23  LEU  48          HD23      LEU  48 -10.308  -3.187   0.849
  368    H    GLU  49           H        GLU  49  -9.629  -7.816   2.238
  369    HA   GLU  49           HA       GLU  49 -12.206  -7.032   3.241
  370    HB2  GLU  49           HB3      GLU  49 -12.034  -8.336   1.199
  371    HB3  GLU  49           HB2      GLU  49 -11.255  -9.655   2.061
  372    HG2  GLU  49           HG3      GLU  49 -13.280  -9.990   3.404
  373    HG3  GLU  49           HG2      GLU  49 -14.063  -8.654   2.573
  374    H    ASP  50           H        ASP  50  -9.802  -9.383   4.361
  375    HA   ASP  50           HA       ASP  50 -11.413 -10.683   6.297
  376    HB2  ASP  50           HB3      ASP  50  -9.089 -11.355   5.579
  377    HB3  ASP  50           HB2      ASP  50  -8.477 -10.054   6.598
  378    H    ARG  51           H        ARG  51  -9.590  -7.647   6.494
  379    HA   ARG  51           HA       ARG  51 -10.284  -7.327   9.323
  380    HB2  ARG  51           HB3      ARG  51  -8.816  -5.581   7.345
  381    HB3  ARG  51           HB2      ARG  51  -9.125  -5.103   9.011
  382    HG2  ARG  51           HG3      ARG  51  -7.997  -7.216   9.765
  383    HG3  ARG  51           HG2      ARG  51  -7.566  -7.527   8.084
  384    HD2  ARG  51           HD3      ARG  51  -6.389  -5.328   8.017
  385    HD3  ARG  51           HD2      ARG  51  -6.742  -5.120   9.733
  386    HE   ARG  51           HE       ARG  51  -5.336  -7.610   9.061
  387   HH11  ARG  51          HH22      ARG  51  -5.196  -4.293   9.989
  388   HH12  ARG  51          HH21      ARG  51  -3.618  -4.419  10.693
  389   HH21  ARG  51          HH11      ARG  51  -3.276  -7.794   9.974
  390   HH22  ARG  51          HH12      ARG  51  -2.531  -6.401  10.684
  391    H    PHE  52           H        PHE  52 -11.238  -5.725   6.246
  392    HA   PHE  52           HA       PHE  52 -13.257  -4.201   7.810
  393    HB2  PHE  52           HB3      PHE  52 -12.178  -3.841   5.007
  394    HB3  PHE  52           HB2      PHE  52 -13.438  -2.842   5.725
  395    HD1  PHE  52           HD1      PHE  52 -12.944  -1.421   7.711
  396    HD2  PHE  52           HD2      PHE  52  -9.873  -3.604   5.649
  397    HE1  PHE  52           HE1      PHE  52 -11.213  -0.035   8.821
  398    HE2  PHE  52           HE2      PHE  52  -8.142  -2.218   6.760
  399    HZ   PHE  52           HZ       PHE  52  -8.812  -0.434   8.346
  400    H    GLY  53           H        GLY  53 -13.074  -6.986   5.881
  401    HA2  GLY  53           HA3      GLY  53 -14.807  -8.355   5.048
  402    HA3  GLY  53           HA2      GLY  53 -15.939  -7.308   5.903
  403    H    ILE  54           H        ILE  54 -13.660  -6.046   3.547
  404    HA   ILE  54           HA       ILE  54 -15.936  -5.029   1.971
  405    HB   ILE  54           HB       ILE  54 -12.949  -4.647   1.625
  406   HG12  ILE  54          HG13      ILE  54 -15.038  -2.718   2.670
  407   HG13  ILE  54          HG12      ILE  54 -14.049  -3.727   3.722
  408   HG21  ILE  54          HG21      ILE  54 -13.700  -2.720   0.184
  409   HG22  ILE  54          HG22      ILE  54 -15.342  -3.356   0.283
  410   HG23  ILE  54          HG23      ILE  54 -14.074  -4.305  -0.493
  411   HD11  ILE  54          HD11      ILE  54 -12.857  -1.882   1.642
  412   HD12  ILE  54          HD12      ILE  54 -12.026  -2.686   2.974
  413   HD13  ILE  54          HD13      ILE  54 -13.159  -1.375   3.304
  414    H    ALA  55           H        ALA  55 -16.367  -5.593  -0.175
  415    HA   ALA  55           HA       ALA  55 -15.820  -8.270  -0.976
  416    HB1  ALA  55           HB1      ALA  55 -16.917  -5.844  -2.377
  417    HB2  ALA  55           HB2      ALA  55 -17.732  -7.355  -1.974
  418    HB3  ALA  55           HB3      ALA  55 -16.568  -7.307  -3.298
  419    H    ALA  56           H        ALA  56 -14.444  -9.040  -2.688
  420    HA   ALA  56           HA       ALA  56 -11.814  -8.020  -2.665
  421    HB1  ALA  56           HB1      ALA  56 -12.290 -10.309  -3.364
  422    HB2  ALA  56           HB2      ALA  56 -11.441  -9.468  -4.662
  423    HB3  ALA  56           HB3      ALA  56 -13.184  -9.721  -4.766
  424    H    ASP  57           H        ASP  57 -14.467  -7.397  -4.945
  425    HA   ASP  57           HA       ASP  57 -14.620  -5.811  -6.677
  426    HB2  ASP  57           HB3      ASP  57 -12.786  -4.367  -4.754
  427    HB3  ASP  57           HB2      ASP  57 -13.583  -3.604  -6.128
  428    H    ASP  58           H        ASP  58 -12.894  -7.809  -7.360
  429    HA   ASP  58           HA       ASP  58 -10.243  -6.857  -8.006
  430    HB2  ASP  58           HB3      ASP  58 -10.837  -9.268  -7.741
  431    HB3  ASP  58           HB2      ASP  58 -11.760  -9.161  -9.238
  432    H    VAL  59           H        VAL  59  -9.849  -5.342  -9.507
  433    HA   VAL  59           HA       VAL  59 -11.403  -5.422 -12.055
  434    HB   VAL  59           HB       VAL  59 -10.473  -2.769 -11.123
  435   HG11  VAL  59          HG11      VAL  59 -12.680  -2.125 -12.068
  436   HG12  VAL  59          HG12      VAL  59 -13.042  -3.830 -12.338
  437   HG13  VAL  59          HG13      VAL  59 -11.720  -3.060 -13.214
  438   HG21  VAL  59          HG21      VAL  59 -12.654  -2.588  -9.759
  439   HG22  VAL  59          HG22      VAL  59 -11.313  -3.451  -9.007
  440   HG23  VAL  59          HG23      VAL  59 -12.642  -4.351  -9.737
  441    H    GLU  60           H        GLU  60 -10.086  -3.733 -13.622
  442    HA   GLU  60           HA       GLU  60  -7.378  -4.887 -13.709
  443    HB2  GLU  60           HB3      GLU  60  -8.726  -4.693 -15.783
  444    HB3  GLU  60           HB2      GLU  60  -8.714  -2.941 -15.609
  445    HG2  GLU  60           HG3      GLU  60  -6.261  -2.946 -15.711
  446    HG3  GLU  60           HG2      GLU  60  -6.273  -4.694 -15.895
  447    H    LEU  61           H        LEU  61  -5.651  -3.877 -12.864
  448    HA   LEU  61           HA       LEU  61  -5.845  -0.948 -12.322
  449    HB2  LEU  61           HB3      LEU  61  -4.065  -2.966 -10.930
  450    HB3  LEU  61           HB2      LEU  61  -4.355  -1.295 -10.453
  451    HG   LEU  61           HG       LEU  61  -6.363  -3.551 -10.461
  452   HD11  LEU  61          HD11      LEU  61  -6.068  -3.650  -8.211
  453   HD12  LEU  61          HD12      LEU  61  -5.915  -1.899  -8.062
  454   HD13  LEU  61          HD13      LEU  61  -4.525  -2.867  -8.553
  455   HD21  LEU  61          HD21      LEU  61  -6.667  -0.571 -10.225
  456   HD22  LEU  61          HD22      LEU  61  -7.767  -1.632  -9.346
  457   HD23  LEU  61          HD23      LEU  61  -7.671  -1.723 -11.104
  458    H    SER  62           H        SER  62  -4.048   0.351 -12.902
  459    HA   SER  62           HA       SER  62  -2.191  -0.956 -14.825
  460    HB2  SER  62           HB3      SER  62  -1.854   1.812 -15.015
  461    HB3  SER  62           HB2      SER  62  -2.786   0.797 -16.112
  462    HG   SER  62           HG       SER  62  -3.642   2.310 -13.891
  463    HA   PRO  63           HA       PRO  63   1.275  -0.427 -12.149
  464    HB2  PRO  63           HB2      PRO  63   3.198   0.409 -13.966
  465    HB3  PRO  63           HB3      PRO  63   2.711  -1.276 -13.711
  466    HG2  PRO  63           HG3      PRO  63   1.916   0.625 -15.847
  467    HG3  PRO  63           HG2      PRO  63   2.194  -1.123 -15.930
  468    HD2  PRO  63           HD3      PRO  63  -0.306  -0.046 -15.892
  469    HD3  PRO  63           HD2      PRO  63   0.060  -1.637 -15.190
  470    H    GLU  64           H        GLU  64   0.238   2.239 -14.138
  471    HA   GLU  64           HA       GLU  64   1.989   4.274 -13.208
  472    HB2  GLU  64           HB3      GLU  64  -0.895   4.447 -14.078
  473    HB3  GLU  64           HB2      GLU  64   0.161   5.834 -13.860
  474    HG2  GLU  64           HG3      GLU  64   1.715   4.879 -15.535
  475    HG3  GLU  64           HG2      GLU  64   0.591   3.550 -15.790
  476    H    HIS  65           H        HIS  65  -0.893   2.852 -11.795
  477    HA   HIS  65           HA       HIS  65  -1.302   4.840  -9.755
  478    HB2  HIS  65           HB3      HIS  65  -3.067   3.276 -10.423
  479    HB3  HIS  65           HB2      HIS  65  -2.106   1.920  -9.833
  480    HD1  HIS  65           HD1      HIS  65  -3.782   5.083  -8.536
  481    HD2  HIS  65           HD2      HIS  65  -2.383   1.420  -7.111
  482    HE1  HIS  65           HE1      HIS  65  -4.500   4.934  -6.107
  483    HE2  HIS  65           HE2      HIS  65  -3.646   2.713  -5.232
  484    H    PHE  66           H        PHE  66   0.845   2.066  -9.955
  485    HA   PHE  66           HA       PHE  66   1.392   2.236  -7.044
  486    HB2  PHE  66           HB3      PHE  66   2.447   0.325  -9.146
  487    HB3  PHE  66           HB2      PHE  66   2.744   0.205  -7.410
  488    HD1  PHE  66           HD2      PHE  66   0.894  -0.303  -5.844
  489    HD2  PHE  66           HD1      PHE  66   0.299  -0.241 -10.097
  490    HE1  PHE  66           HE2      PHE  66  -1.264  -1.493  -5.561
  491    HE2  PHE  66           HE1      PHE  66  -1.857  -1.431  -9.815
  492    HZ   PHE  66           HZ       PHE  66  -2.639  -2.056  -7.548
  493    H    ARG  67           H        ARG  67   2.406   4.056  -9.493
  494    HA   ARG  67           HA       ARG  67   5.240   3.857  -9.512
  495    HB2  ARG  67           HB3      ARG  67   3.500   6.320  -9.818
  496    HB3  ARG  67           HB2      ARG  67   5.203   6.219 -10.260
  497    HG2  ARG  67           HG3      ARG  67   3.235   4.242 -11.353
  498    HG3  ARG  67           HG2      ARG  67   3.413   5.822 -12.113
  499    HD2  ARG  67           HD3      ARG  67   5.902   5.355 -12.254
  500    HD3  ARG  67           HD2      ARG  67   5.553   3.706 -11.737
  501    HE   ARG  67           HE       ARG  67   3.866   4.242 -13.935
  502   HH11  ARG  67          HH22      ARG  67   7.217   4.041 -13.151
  503   HH12  ARG  67          HH21      ARG  67   7.692   3.517 -14.732
  504   HH21  ARG  67          HH11      ARG  67   4.467   3.558 -16.004
  505   HH22  ARG  67          HH12      ARG  67   6.135   3.243 -16.347
  506    H    SER  68           H        SER  68   3.071   5.508  -7.236
  507    HA   SER  68           HA       SER  68   5.445   5.890  -5.463
  508    HB2  SER  68           HB3      SER  68   4.671   8.104  -4.833
  509    HB3  SER  68           HB2      SER  68   4.835   8.044  -6.586
  510    HG   SER  68           HG       SER  68   2.842   8.779  -6.434
  511    H    ILE  69           H        ILE  69   4.937   5.878  -3.193
  512    HA   ILE  69           HA       ILE  69   2.909   4.039  -2.418
  513    HB   ILE  69           HB       ILE  69   4.359   6.102  -0.733
  514   HG12  ILE  69          HG13      ILE  69   5.030   3.201  -1.251
  515   HG13  ILE  69          HG12      ILE  69   5.835   4.555  -2.029
  516   HG21  ILE  69          HG21      ILE  69   2.288   4.249  -0.133
  517   HG22  ILE  69          HG22      ILE  69   3.190   5.271   0.986
  518   HG23  ILE  69          HG23      ILE  69   3.776   3.654   0.598
  519   HD11  ILE  69          HD11      ILE  69   6.535   3.409   0.420
  520   HD12  ILE  69          HD12      ILE  69   5.714   4.907   0.854
  521   HD13  ILE  69          HD13      ILE  69   7.116   4.948  -0.215
  522    H    ARG  70           H        ARG  70   2.991   7.583  -2.488
  523    HA   ARG  70           HA       ARG  70   0.611   8.059  -1.007
  524    HB2  ARG  70           HB3      ARG  70   1.822   9.634  -3.298
  525    HB3  ARG  70           HB2      ARG  70   0.540  10.229  -2.241
  526    HG2  ARG  70           HG3      ARG  70   2.045   9.859  -0.280
  527    HG3  ARG  70           HG2      ARG  70   3.333   9.406  -1.397
  528    HD2  ARG  70           HD3      ARG  70   1.910  12.082  -1.301
  529    HD3  ARG  70           HD2      ARG  70   3.567  11.764  -0.789
  530    HE   ARG  70           HE       ARG  70   3.045  11.030  -3.569
  531   HH11  ARG  70          HH22      ARG  70   3.926  13.485  -1.315
  532   HH12  ARG  70          HH21      ARG  70   4.782  14.436  -2.482
  533   HH21  ARG  70          HH11      ARG  70   4.158  12.257  -5.107
  534   HH22  ARG  70          HH12      ARG  70   4.913  13.741  -4.629
  535    H    SER  71           H        SER  71   1.092   7.311  -4.450
  536    HA   SER  71           HA       SER  71  -1.565   7.816  -5.318
  537    HB2  SER  71           HB3      SER  71   0.337   5.666  -6.292
  538    HB3  SER  71           HB2      SER  71  -1.041   6.310  -7.175
  539    HG   SER  71           HG       SER  71   0.426   8.355  -6.375
  540    H    ILE  72           H        ILE  72  -0.096   4.921  -3.866
  541    HA   ILE  72           HA       ILE  72  -2.356   3.210  -4.110
  542    HB   ILE  72           HB       ILE  72  -0.212   3.270  -1.964
  543   HG12  ILE  72          HG13      ILE  72  -0.365   1.678  -4.544
  544   HG13  ILE  72          HG12      ILE  72   0.631   3.116  -4.320
  545   HG21  ILE  72          HG21      ILE  72  -2.083   1.078  -2.893
  546   HG22  ILE  72          HG22      ILE  72  -2.162   1.917  -1.345
  547   HG23  ILE  72          HG23      ILE  72  -0.786   0.879  -1.715
  548   HD11  ILE  72          HD11      ILE  72   1.169   1.418  -2.117
  549   HD12  ILE  72          HD12      ILE  72   2.249   1.816  -3.454
  550   HD13  ILE  72          HD13      ILE  72   1.205   0.399  -3.557
  551    H    ASP  73           H        ASP  73  -1.411   5.576  -1.645
  552    HA   ASP  73           HA       ASP  73  -3.378   4.978   0.298
  553    HB2  ASP  73           HB3      ASP  73  -2.145   7.635  -0.488
  554    HB3  ASP  73           HB2      ASP  73  -3.107   7.379   0.964
  555    H    ALA  74           H        ALA  74  -3.557   6.939  -2.653
  556    HA   ALA  74           HA       ALA  74  -6.132   8.067  -2.194
  557    HB1  ALA  74           HB1      ALA  74  -4.563   8.762  -4.020
  558    HB2  ALA  74           HB2      ALA  74  -6.202   8.459  -4.596
  559    HB3  ALA  74           HB3      ALA  74  -4.938   7.258  -4.861
  560    H    PHE  75           H        PHE  75  -5.146   4.986  -3.670
  561    HA   PHE  75           HA       PHE  75  -7.763   4.157  -4.471
  562    HB2  PHE  75           HB3      PHE  75  -5.653   3.040  -5.186
  563    HB3  PHE  75           HB2      PHE  75  -5.479   2.401  -3.555
  564    HD1  PHE  75           HD1      PHE  75  -7.560   2.336  -6.617
  565    HD2  PHE  75           HD2      PHE  75  -6.843   0.579  -2.764
  566    HE1  PHE  75           HE1      PHE  75  -9.071   0.456  -7.193
  567    HE2  PHE  75           HE2      PHE  75  -8.355  -1.301  -3.340
  568    HZ   PHE  75           HZ       PHE  75  -9.469  -1.363  -5.555
  569    H    VAL  76           H        VAL  76  -5.940   3.566  -1.463
  570    HA   VAL  76           HA       VAL  76  -7.990   2.038  -0.183
  571    HB   VAL  76           HB       VAL  76  -5.718   3.712   0.917
  572   HG11  VAL  76          HG11      VAL  76  -7.879   2.142   2.248
  573   HG12  VAL  76          HG12      VAL  76  -7.066   3.610   2.785
  574   HG13  VAL  76          HG13      VAL  76  -6.254   2.051   2.926
  575   HG21  VAL  76          HG21      VAL  76  -5.411   1.525  -0.502
  576   HG22  VAL  76          HG22      VAL  76  -5.963   0.713   0.964
  577   HG23  VAL  76          HG23      VAL  76  -4.507   1.706   1.002
  578    H    VAL  77           H        VAL  77  -7.255   5.520  -0.206
  579    HA   VAL  77           HA       VAL  77  -9.181   6.317   1.725
  580    HB   VAL  77           HB       VAL  77  -8.042   7.747  -0.689
  581   HG11  VAL  77          HG11      VAL  77 -10.138   8.499   1.235
  582   HG12  VAL  77          HG12      VAL  77  -9.764   9.179  -0.348
  583   HG13  VAL  77          HG13      VAL  77  -8.846   9.687   1.068
  584   HG21  VAL  77          HG21      VAL  77  -6.239   8.002   0.639
  585   HG22  VAL  77          HG22      VAL  77  -7.036   7.089   1.920
  586   HG23  VAL  77          HG23      VAL  77  -7.245   8.838   1.821
  587    H    GLY  78           H        GLY  78  -9.425   5.862  -1.792
  588    HA2  GLY  78           HA3      GLY  78 -12.055   6.859  -2.140
  589    HA3  GLY  78           HA2      GLY  78 -11.310   5.633  -3.165
  590    H    ALA  79           H        ALA  79 -10.947   3.657  -1.062
  591    HA   ALA  79           HA       ALA  79 -13.767   2.761  -0.897
  592    HB1  ALA  79           HB1      ALA  79 -11.973   1.262  -1.844
  593    HB2  ALA  79           HB2      ALA  79 -12.880   0.551  -0.509
  594    HB3  ALA  79           HB3      ALA  79 -11.263   1.198  -0.231
  595    H    THR  80           H        THR  80 -10.916   3.007   1.237
  596    HA   THR  80           HA       THR  80 -12.809   3.330   3.527
  597    HB   THR  80           HB       THR  80 -10.192   1.819   3.604
  598    HG1  THR  80           HG1      THR  80 -12.694   0.647   3.997
  599   HG21  THR  80          HG21      THR  80 -11.812   1.139   5.774
  600   HG22  THR  80          HG22      THR  80 -11.993   2.887   5.620
  601   HG23  THR  80          HG23      THR  80 -10.389   2.181   5.818
  602    H    THR  81           H        THR  81 -12.285   5.002   4.915
  603    HA   THR  81           HA       THR  81  -9.646   6.331   4.504
  604    HB   THR  81           HB       THR  81 -11.184   7.740   3.359
  605    HG1  THR  81           HG1      THR  81 -10.575   9.433   4.421
  606   HG21  THR  81          HG21      THR  81 -13.006   6.805   5.481
  607   HG22  THR  81          HG22      THR  81 -13.356   7.253   3.811
  608   HG23  THR  81          HG23      THR  81 -13.201   8.503   5.046
  609    HA   PRO  82           HA       PRO  82 -10.212   5.361   8.988
  610    HB2  PRO  82           HB2      PRO  82  -7.272   5.377   8.966
  611    HB3  PRO  82           HB3      PRO  82  -8.380   4.095   9.480
  612    HG2  PRO  82           HG3      PRO  82  -6.889   3.945   7.235
  613    HG3  PRO  82           HG2      PRO  82  -8.468   3.161   7.407
  614    HD2  PRO  82           HD3      PRO  82  -7.755   5.655   5.916
  615    HD3  PRO  82           HD2      PRO  82  -8.972   4.415   5.533
  616    HA   PRO  83           HA       PRO  83  -9.195   9.231  10.899
  617    HB2  PRO  83           HB2      PRO  83  -7.082   8.155  12.664
  618    HB3  PRO  83           HB3      PRO  83  -8.638   8.887  13.090
  619    HG2  PRO  83           HG3      PRO  83  -8.153   6.259  13.358
  620    HG3  PRO  83           HG2      PRO  83  -9.757   6.904  12.972
  621    HD2  PRO  83           HD3      PRO  83  -7.789   5.550  11.174
  622    HD3  PRO  83           HD2      PRO  83  -9.565   5.503  11.147
  623    H    VAL  84           H        VAL  84  -7.708  11.005  10.775
  624    HA   VAL  84           HA       VAL  84  -5.397  10.489   9.011
  625    HB   VAL  84           HB       VAL  84  -5.276  12.943   8.834
  626   HG11  VAL  84          HG11      VAL  84  -8.201  12.310   8.643
  627   HG12  VAL  84          HG12      VAL  84  -7.065  11.400   7.647
  628   HG13  VAL  84          HG13      VAL  84  -7.163  13.154   7.493
  629   HG21  VAL  84          HG21      VAL  84  -6.925  12.727  11.248
  630   HG22  VAL  84          HG22      VAL  84  -7.587  13.858  10.067
  631   HG23  VAL  84          HG23      VAL  84  -5.947  14.079  10.677
  632    H    GLU  85           H        GLU  85  -3.349  10.392   9.736
  633    HA   GLU  85           HA       GLU  85  -2.638  11.715  12.293
  634    HB2  GLU  85           HB3      GLU  85  -2.032   8.814  11.637
  635    HB3  GLU  85           HB2      GLU  85  -1.431   9.688  13.047
  636    HG2  GLU  85           HG3      GLU  85  -3.775  10.094  13.767
  637    HG3  GLU  85           HG2      GLU  85  -4.343   9.147  12.392
  638    H    ALA  86           H        ALA  86  -0.275  12.036  12.477
  639    HA   ALA  86           HA       ALA  86   0.932  12.852  10.027
  640    HB1  ALA  86           HB1      ALA  86   2.964  12.220  11.953
  641    HB2  ALA  86           HB2      ALA  86   1.587  12.927  12.800
  642    HB3  ALA  86           HB3      ALA  86   2.359  13.809  11.483
  643    H    LYS  87           H        LYS  87   2.325  11.778   8.618
  644    HA   LYS  87           HA       LYS  87   2.198   8.944   8.450
  645    HB2  LYS  87           HB3      LYS  87   2.774  10.489   6.553
  646    HB3  LYS  87           HB2      LYS  87   4.365  10.713   7.282
  647    HG2  LYS  87           HG3      LYS  87   4.755   8.268   7.154
  648    HG3  LYS  87           HG2      LYS  87   3.183   8.069   6.380
  649    HD2  LYS  87           HD3      LYS  87   3.956   9.639   4.570
  650    HD3  LYS  87           HD2      LYS  87   5.561   9.606   5.302
  651    HE2  LYS  87           HE3      LYS  87   4.058   7.371   3.956
  652    HE3  LYS  87           HE2      LYS  87   5.709   7.922   3.672
  653    HZ1  LYS  87           HZ1      LYS  87   5.510   5.804   4.944
  654    HZ2  LYS  87           HZ2      LYS  87   4.814   6.686   6.214
  655    HZ3  LYS  87           HZ3      LYS  87   6.409   7.014   5.728
  656    H    LEU  88           H        LEU  88   4.630  11.081   9.896
  657    HA   LEU  88           HA       LEU  88   6.607   9.106  10.439
  658    HB2  LEU  88           HB3      LEU  88   5.908  11.545  12.104
  659    HB3  LEU  88           HB2      LEU  88   7.434  10.661  12.145
  660    HG   LEU  88           HG       LEU  88   6.296  12.151   9.761
  661   HD11  LEU  88          HD11      LEU  88   8.215  13.636  10.084
  662   HD12  LEU  88          HD12      LEU  88   8.766  12.662  11.448
  663   HD13  LEU  88          HD13      LEU  88   7.260  13.573  11.566
  664   HD21  LEU  88          HD21      LEU  88   7.482  10.416   8.758
  665   HD22  LEU  88          HD22      LEU  88   8.596  10.257  10.115
  666   HD23  LEU  88          HD23      LEU  88   8.768  11.600   8.986
  667    H    GLN  89           H        GLN  89   3.666  10.014  12.181
  668    HA   GLN  89           HA       GLN  89   4.284   7.947  14.237
  669    HB2  GLN  89           HB3      GLN  89   3.630  10.244  14.999
  670    HB3  GLN  89           HB2      GLN  89   2.064  10.013  14.220
  671    HG2  GLN  89           HG3      GLN  89   1.628   8.052  15.638
  672    HG3  GLN  89           HG2      GLN  89   3.205   8.246  16.405
  673   HE21  GLN  89          HE22      GLN  89   1.084   8.356  18.139
  674   HE22  GLN  89          HE21      GLN  89   0.773   9.952  18.626
  675    H1   PN7 101           3HO      SAT  38   1.872  -5.835 -14.667
  676    H2   PN7 101           1H1      SAT  38  -1.047  -5.822 -11.430
  677    H3   PN7 101           2H1      SAT  38  -1.914  -6.622 -12.740
  678    H5   PN7 101          3HE1      SAT  38  -0.619  -3.547 -11.631
  679    H6   PN7 101          1HE1      SAT  38  -2.292  -3.710 -12.161
  680    H7   PN7 101          2HE1      SAT  38  -1.167  -2.718 -13.088
  681    H8   PN7 101          2HE2      SAT  38  -1.598  -5.832 -15.092
  682    H9   PN7 101          3HE2      SAT  38  -1.693  -4.072 -15.169
  683    H10  PN7 101          1HE2      SAT  38  -2.848  -4.975 -14.189
  684    H11  PN7 101           3H       SAT  38   0.629  -3.789 -14.434
  685    H12  PN7 101           5H       SAT  38   2.097  -2.673 -12.391
  686    H13  PN7 101           2H6      SAT  38   4.451  -3.228 -12.661
  687    H14  PN7 101           1H6      SAT  38   3.746  -3.525 -14.251
  688    H15  PN7 101           1H7      SAT  38   5.091  -5.460 -13.428
  689    H16  PN7 101           2H7      SAT  38   3.398  -5.880 -13.695
  690    H17  PN7 101           9H       SAT  38   2.395  -6.945 -11.806
  691    H18  PN7 101          2H10      SAT  38   3.045  -7.853  -9.550
  692    H19  PN7 101          1H10      SAT  38   4.709  -7.461  -9.981
  693    H20  PN7 101          1H11      SAT  38   3.045  -9.379 -11.619
  694    H21  PN7 101          2H11      SAT  38   4.016  -9.916 -10.249
  695    H22  PN7 101          2HS1      SAT  38   5.766 -10.048 -12.045
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1   0.406  14.624   1.151
    2    H2   MET   1           H2       MET   1   0.169  12.942   1.182
    3    H3   MET   1           H3       MET   1   0.052  13.846   2.616
    4    HA   MET   1           HA       MET   1  -1.763  15.060   1.006
    5    HB2  MET   1           HB3      MET   1  -1.977  12.052   0.672
    6    HB3  MET   1           HB2      MET   1  -3.096  13.261   0.043
    7    HG2  MET   1           HG3      MET   1  -1.178  14.238  -1.270
    8    HG3  MET   1           HG2      MET   1  -0.206  12.857  -0.761
    9    HE1  MET   1           HE1      MET   1  -4.163  12.977  -1.957
   10    HE2  MET   1           HE2      MET   1  -3.694  13.091  -3.651
   11    HE3  MET   1           HE3      MET   1  -3.105  14.282  -2.484
   12    H    GLN   2           H        GLN   2  -3.546  12.476   1.780
   13    HA   GLN   2           HA       GLN   2  -4.056  13.496   4.519
   14    HB2  GLN   2           HB3      GLN   2  -5.593  11.513   2.807
   15    HB3  GLN   2           HB2      GLN   2  -6.110  12.111   4.384
   16    HG2  GLN   2           HG3      GLN   2  -6.147  14.414   3.509
   17    HG3  GLN   2           HG2      GLN   2  -5.616  13.826   1.933
   18   HE21  GLN   2          HE22      GLN   2  -8.107  15.191   2.201
   19   HE22  GLN   2          HE21      GLN   2  -9.363  14.086   1.918
   20    H    HIS   3           H        HIS   3  -3.135  12.427   6.216
   21    HA   HIS   3           HA       HIS   3  -1.971  10.734   7.371
   22    HB2  HIS   3           HB3      HIS   3  -3.952   8.985   5.879
   23    HB3  HIS   3           HB2      HIS   3  -3.097   8.563   7.362
   24    HD1  HIS   3           HD1      HIS   3  -5.918  10.660   6.059
   25    HD2  HIS   3           HD2      HIS   3  -4.071   9.869   9.714
   26    HE1  HIS   3           HE1      HIS   3  -7.429  11.625   7.851
   27    HE2  HIS   3           HE2      HIS   3  -6.314  11.148  10.079
   28    H    ALA   4           H        ALA   4  -0.879  11.531   4.803
   29    HA   ALA   4           HA       ALA   4  -0.156   9.341   3.144
   30    HB1  ALA   4           HB1      ALA   4   2.033  10.990   3.005
   31    HB2  ALA   4           HB2      ALA   4   0.792  12.094   3.599
   32    HB3  ALA   4           HB3      ALA   4   0.546  11.224   2.085
   33    H    SER   5           H        SER   5   1.271  10.551   6.153
   34    HA   SER   5           HA       SER   5   3.678   9.042   6.093
   35    HB2  SER   5           HB3      SER   5   2.025   9.749   8.532
   36    HB3  SER   5           HB2      SER   5   3.741   9.355   8.511
   37    HG   SER   5           HG       SER   5   4.107  11.210   7.296
   38    H    VAL   6           H        VAL   6   0.416   8.160   7.164
   39    HA   VAL   6           HA       VAL   6   1.120   5.617   8.278
   40    HB   VAL   6           HB       VAL   6  -1.462   6.610   7.066
   41   HG11  VAL   6          HG11      VAL   6  -0.817   4.054   8.557
   42   HG12  VAL   6          HG12      VAL   6  -1.506   4.204   6.940
   43   HG13  VAL   6          HG13      VAL   6  -2.458   4.666   8.351
   44   HG21  VAL   6          HG21      VAL   6  -2.143   6.894   9.389
   45   HG22  VAL   6          HG22      VAL   6  -0.621   7.748   9.135
   46   HG23  VAL   6          HG23      VAL   6  -0.629   6.185   9.951
   47    H    ILE   7           H        ILE   7   0.227   6.632   5.012
   48    HA   ILE   7           HA       ILE   7  -0.021   4.063   3.837
   49    HB   ILE   7           HB       ILE   7   1.045   6.608   2.584
   50   HG12  ILE   7          HG13      ILE   7  -1.781   5.503   2.665
   51   HG13  ILE   7          HG12      ILE   7  -1.196   6.801   3.706
   52   HG21  ILE   7          HG21      ILE   7  -0.246   4.153   1.349
   53   HG22  ILE   7          HG22      ILE   7   1.465   4.565   1.245
   54   HG23  ILE   7          HG23      ILE   7   0.261   5.599   0.476
   55   HD11  ILE   7          HD11      ILE   7  -0.417   7.623   1.176
   56   HD12  ILE   7          HD12      ILE   7  -1.828   8.210   2.056
   57   HD13  ILE   7          HD13      ILE   7  -1.997   6.895   0.893
   58    H    ALA   8           H        ALA   8   2.859   6.147   4.171
   59    HA   ALA   8           HA       ALA   8   4.662   4.354   2.857
   60    HB1  ALA   8           HB1      ALA   8   6.424   5.591   4.201
   61    HB2  ALA   8           HB2      ALA   8   5.107   6.474   4.972
   62    HB3  ALA   8           HB3      ALA   8   5.369   6.622   3.234
   63    H    GLN   9           H        GLN   9   3.843   4.776   6.291
   64    HA   GLN   9           HA       GLN   9   5.540   2.626   7.178
   65    HB2  GLN   9           HB3      GLN   9   4.923   3.273   9.262
   66    HB3  GLN   9           HB2      GLN   9   4.199   4.649   8.439
   67    HG2  GLN   9           HG3      GLN   9   2.477   3.803   9.825
   68    HG3  GLN   9           HG2      GLN   9   2.091   3.191   8.222
   69   HE21  GLN   9          HE22      GLN   9   1.104   1.192   8.793
   70   HE22  GLN   9          HE21      GLN   9   1.902  -0.031   9.659
   71    H    PHE  10           H        PHE  10   2.208   2.816   6.081
   72    HA   PHE  10           HA       PHE  10   1.290   0.290   6.988
   73    HB2  PHE  10           HB3      PHE  10  -0.109   2.089   5.932
   74    HB3  PHE  10           HB2      PHE  10   0.589   1.655   4.374
   75    HD1  PHE  10           HD2      PHE  10  -1.632   0.582   7.103
   76    HD2  PHE  10           HD1      PHE  10   0.008  -0.444   3.270
   77    HE1  PHE  10           HE2      PHE  10  -3.334  -1.204   6.854
   78    HE2  PHE  10           HE1      PHE  10  -1.695  -2.231   3.020
   79    HZ   PHE  10           HZ       PHE  10  -3.364  -2.609   4.814
   80    H    VAL  11           H        VAL  11   2.723   1.116   3.811
   81    HA   VAL  11           HA       VAL  11   2.893  -1.683   3.045
   82    HB   VAL  11           HB       VAL  11   2.736   0.355   1.480
   83   HG11  VAL  11          HG11      VAL  11   4.705   1.484   2.664
   84   HG12  VAL  11          HG12      VAL  11   4.757   1.480   0.901
   85   HG13  VAL  11          HG13      VAL  11   5.740   0.336   1.815
   86   HG21  VAL  11          HG21      VAL  11   4.234  -2.150   1.242
   87   HG22  VAL  11          HG22      VAL  11   4.787  -0.921   0.104
   88   HG23  VAL  11          HG23      VAL  11   3.094  -1.416   0.114
   89    H    VAL  12           H        VAL  12   5.212   0.728   4.257
   90    HA   VAL  12           HA       VAL  12   7.528  -0.931   4.044
   91    HB   VAL  12           HB       VAL  12   6.985   1.307   6.000
   92   HG11  VAL  12          HG11      VAL  12   9.607   0.186   4.974
   93   HG12  VAL  12          HG12      VAL  12   8.930  -0.154   6.563
   94   HG13  VAL  12          HG13      VAL  12   9.413   1.487   6.148
   95   HG21  VAL  12          HG21      VAL  12   7.603   2.813   4.367
   96   HG22  VAL  12          HG22      VAL  12   6.880   1.579   3.337
   97   HG23  VAL  12          HG23      VAL  12   8.630   1.645   3.535
   98    H    GLU  13           H        GLU  13   5.151  -0.544   6.653
   99    HA   GLU  13           HA       GLU  13   6.513  -1.954   8.681
  100    HB2  GLU  13           HB3      GLU  13   4.365  -0.758   9.024
  101    HB3  GLU  13           HB2      GLU  13   3.545  -2.035   8.134
  102    HG2  GLU  13           HG3      GLU  13   4.384  -3.693   9.782
  103    HG3  GLU  13           HG2      GLU  13   5.113  -2.373  10.693
  104    H    GLU  14           H        GLU  14   4.779  -3.155   5.872
  105    HA   GLU  14           HA       GLU  14   4.634  -5.894   6.708
  106    HB2  GLU  14           HB3      GLU  14   3.358  -4.916   4.785
  107    HB3  GLU  14           HB2      GLU  14   4.868  -4.843   3.875
  108    HG2  GLU  14           HG3      GLU  14   5.143  -7.297   4.201
  109    HG3  GLU  14           HG2      GLU  14   3.572  -7.339   5.003
  110    H    PHE  15           H        PHE  15   7.188  -3.977   5.218
  111    HA   PHE  15           HA       PHE  15   9.026  -6.276   5.648
  112    HB2  PHE  15           HB3      PHE  15  10.030  -6.031   3.457
  113    HB3  PHE  15           HB2      PHE  15   8.294  -6.250   3.243
  114    HD1  PHE  15           HD1      PHE  15   6.832  -4.196   2.906
  115    HD2  PHE  15           HD2      PHE  15  11.120  -4.064   2.691
  116    HE1  PHE  15           HE1      PHE  15   6.705  -2.039   1.688
  117    HE2  PHE  15           HE2      PHE  15  10.993  -1.905   1.478
  118    HZ   PHE  15           HZ       PHE  15   8.786  -0.893   0.975
  119    H    LEU  16           H        LEU  16   8.828  -4.049   7.324
  120    HA   LEU  16           HA       LEU  16  10.786  -2.060   6.508
  121    HB2  LEU  16           HB3      LEU  16  10.131  -0.853   8.331
  122    HB3  LEU  16           HB2      LEU  16   8.730  -1.893   8.202
  123    HG   LEU  16           HG       LEU  16  11.110  -2.357  10.034
  124   HD11  LEU  16          HD11      LEU  16   9.998  -0.741  11.191
  125   HD12  LEU  16          HD12      LEU  16   8.957  -2.091  11.642
  126   HD13  LEU  16          HD13      LEU  16   8.485  -1.015  10.327
  127   HD21  LEU  16          HD21      LEU  16  10.246  -4.405  10.545
  128   HD22  LEU  16          HD22      LEU  16   9.399  -4.273   9.008
  129   HD23  LEU  16          HD23      LEU  16   8.588  -3.810  10.498
  130    HA   PRO  17           HA       PRO  17  14.211  -4.509   8.046
  131    HB2  PRO  17           HB2      PRO  17  16.194  -2.675   7.689
  132    HB3  PRO  17           HB3      PRO  17  15.450  -3.539   6.332
  133    HG2  PRO  17           HG3      PRO  17  14.953  -0.773   7.311
  134    HG3  PRO  17           HG2      PRO  17  15.064  -1.381   5.652
  135    HD2  PRO  17           HD3      PRO  17  12.684  -0.876   6.929
  136    HD3  PRO  17           HD2      PRO  17  12.871  -2.057   5.616
  137    H    ASP  18           H        ASP  18  16.402  -3.077   9.384
  138    HA   ASP  18           HA       ASP  18  15.210  -2.840  12.027
  139    HB2  ASP  18           HB3      ASP  18  18.014  -2.363  11.001
  140    HB3  ASP  18           HB2      ASP  18  17.562  -2.271  12.698
  141    H    VAL  19           H        VAL  19  14.872  -0.854   9.586
  142    HA   VAL  19           HA       VAL  19  15.428   1.643  11.143
  143    HB   VAL  19           HB       VAL  19  14.989   1.351   8.158
  144   HG11  VAL  19          HG11      VAL  19  16.099   3.655   8.228
  145   HG12  VAL  19          HG12      VAL  19  15.821   3.627   9.970
  146   HG13  VAL  19          HG13      VAL  19  14.453   3.570   8.858
  147   HG21  VAL  19          HG21      VAL  19  17.384   1.528   7.906
  148   HG22  VAL  19          HG22      VAL  19  17.079   0.225   9.055
  149   HG23  VAL  19          HG23      VAL  19  17.600   1.807   9.634
  150    H    ALA  20           H        ALA  20  13.694   2.960  11.634
  151    HA   ALA  20           HA       ALA  20  11.024   1.920  11.295
  152    HB1  ALA  20           HB1      ALA  20  10.635   4.526  12.010
  153    HB2  ALA  20           HB2      ALA  20  12.285   4.264  12.575
  154    HB3  ALA  20           HB3      ALA  20  10.978   3.232  13.158
  155    HA   PRO  21           HA       PRO  21  10.144   3.403   7.154
  156    HB2  PRO  21           HB2      PRO  21   7.512   4.233   8.287
  157    HB3  PRO  21           HB3      PRO  21   7.863   3.238   6.862
  158    HG2  PRO  21           HG3      PRO  21   6.996   2.190   9.173
  159    HG3  PRO  21           HG2      PRO  21   8.092   1.329   8.081
  160    HD2  PRO  21           HD3      PRO  21   8.664   2.539  10.723
  161    HD3  PRO  21           HD2      PRO  21   9.513   1.240   9.855
  162    H    ALA  22           H        ALA  22   9.439   5.413   9.970
  163    HA   ALA  22           HA       ALA  22   9.079   7.890   8.561
  164    HB1  ALA  22           HB1      ALA  22  10.066   8.699  10.955
  165    HB2  ALA  22           HB2      ALA  22   9.582   7.053  11.365
  166    HB3  ALA  22           HB3      ALA  22   8.393   8.188  10.726
  167    H    ASP  23           H        ASP  23  11.883   6.034   9.429
  168    HA   ASP  23           HA       ASP  23  13.682   8.310   8.774
  169    HB2  ASP  23           HB3      ASP  23  14.234   5.568   9.948
  170    HB3  ASP  23           HB2      ASP  23  15.485   6.755   9.574
  171    H    VAL  24           H        VAL  24  12.033   6.096   7.094
  172    HA   VAL  24           HA       VAL  24  14.283   5.428   5.250
  173    HB   VAL  24           HB       VAL  24  11.466   4.300   5.348
  174   HG11  VAL  24          HG11      VAL  24  13.916   3.724   3.683
  175   HG12  VAL  24          HG12      VAL  24  12.264   4.017   3.140
  176   HG13  VAL  24          HG13      VAL  24  12.675   2.497   3.935
  177   HG21  VAL  24          HG21      VAL  24  14.066   3.493   6.604
  178   HG22  VAL  24          HG22      VAL  24  12.966   2.229   6.055
  179   HG23  VAL  24          HG23      VAL  24  12.432   3.399   7.261
  180    H    ASP  25           H        ASP  25  14.271   6.266   3.175
  181    HA   ASP  25           HA       ASP  25  12.659   8.575   2.643
  182    HB2  ASP  25           HB3      ASP  25  14.331   6.848   0.795
  183    HB3  ASP  25           HB2      ASP  25  13.608   8.387   0.325
  184    H    VAL  26           H        VAL  26  10.455   8.069   2.725
  185    HA   VAL  26           HA       VAL  26   9.228   5.800   1.503
  186    HB   VAL  26           HB       VAL  26   7.152   6.936   1.838
  187   HG11  VAL  26          HG11      VAL  26   7.337   7.684   4.122
  188   HG12  VAL  26          HG12      VAL  26   9.037   8.099   3.905
  189   HG13  VAL  26          HG13      VAL  26   8.535   6.409   3.895
  190   HG21  VAL  26          HG21      VAL  26   8.864   9.408   1.613
  191   HG22  VAL  26          HG22      VAL  26   7.294   9.475   2.413
  192   HG23  VAL  26          HG23      VAL  26   7.401   8.996   0.719
  193    H    ASP  27           H        ASP  27  11.014   8.031  -0.048
  194    HA   ASP  27           HA       ASP  27   9.241   8.382  -2.388
  195    HB2  ASP  27           HB3      ASP  27  12.064   9.328  -1.809
  196    HB3  ASP  27           HB2      ASP  27  11.188   9.680  -3.299
  197    H    LEU  28           H        LEU  28  10.746   5.812  -1.324
  198    HA   LEU  28           HA       LEU  28  12.369   5.113  -3.674
  199    HB2  LEU  28           HB3      LEU  28  12.965   4.339  -1.375
  200    HB3  LEU  28           HB2      LEU  28  11.491   3.374  -1.354
  201    HG   LEU  28           HG       LEU  28  12.298   2.222  -3.442
  202   HD11  LEU  28          HD11      LEU  28  13.877   3.584  -4.461
  203   HD12  LEU  28          HD12      LEU  28  14.935   2.472  -3.594
  204   HD13  LEU  28          HD13      LEU  28  14.602   4.070  -2.928
  205   HD21  LEU  28          HD21      LEU  28  13.311   1.988  -0.728
  206   HD22  LEU  28          HD22      LEU  28  14.498   1.411  -1.899
  207   HD23  LEU  28          HD23      LEU  28  12.879   0.713  -1.868
  208    H    ASP  29           H        ASP  29  11.667   3.928  -5.391
  209    HA   ASP  29           HA       ASP  29   8.867   3.549  -5.817
  210    HB2  ASP  29           HB3      ASP  29  11.263   2.322  -7.214
  211    HB3  ASP  29           HB2      ASP  29   9.602   2.181  -7.790
  212    H    LEU  30           H        LEU  30   7.590   1.988  -4.967
  213    HA   LEU  30           HA       LEU  30   8.601  -0.088  -3.298
  214    HB2  LEU  30           HB3      LEU  30   5.919   0.008  -4.718
  215    HB3  LEU  30           HB2      LEU  30   6.314  -0.974  -3.308
  216    HG   LEU  30           HG       LEU  30   6.296   2.055  -3.432
  217   HD11  LEU  30          HD11      LEU  30   4.236   0.172  -2.994
  218   HD12  LEU  30          HD12      LEU  30   4.169   1.910  -2.704
  219   HD13  LEU  30          HD13      LEU  30   4.649   0.817  -1.405
  220   HD21  LEU  30          HD21      LEU  30   7.964   1.647  -1.866
  221   HD22  LEU  30          HD22      LEU  30   7.303   0.075  -1.420
  222   HD23  LEU  30          HD23      LEU  30   6.539   1.551  -0.832
  223    H    VAL  31           H        VAL  31   8.813   0.170  -6.613
  224    HA   VAL  31           HA       VAL  31   8.138  -2.341  -7.641
  225    HB   VAL  31           HB       VAL  31  10.508  -0.565  -8.269
  226   HG11  VAL  31          HG11      VAL  31   9.799  -3.273  -9.231
  227   HG12  VAL  31          HG12      VAL  31  11.355  -2.442  -9.251
  228   HG13  VAL  31          HG13      VAL  31  10.154  -2.098 -10.496
  229   HG21  VAL  31          HG21      VAL  31   7.758  -1.003  -9.441
  230   HG22  VAL  31          HG22      VAL  31   9.057  -0.284 -10.392
  231   HG23  VAL  31          HG23      VAL  31   8.500   0.508  -8.917
  232    H    ASP  32           H        ASP  32  11.086  -1.417  -5.879
  233    HA   ASP  32           HA       ASP  32  12.452  -3.896  -6.087
  234    HB2  ASP  32           HB3      ASP  32  12.360  -1.914  -3.788
  235    HB3  ASP  32           HB2      ASP  32  13.498  -3.258  -3.886
  236    H    ASN  33           H        ASN  33   9.948  -2.789  -3.857
  237    HA   ASN  33           HA       ASN  33   9.769  -5.466  -2.619
  238    HB2  ASN  33           HB3      ASN  33   8.183  -2.942  -2.093
  239    HB3  ASN  33           HB2      ASN  33   8.108  -4.418  -1.135
  240   HD21  ASN  33          HD22      ASN  33   9.887  -1.482  -1.650
  241   HD22  ASN  33          HD21      ASN  33  11.119  -1.783  -0.523
  242    H    GLY  34           H        GLY  34   8.953  -4.425  -5.462
  243    HA2  GLY  34           HA3      GLY  34   6.250  -4.441  -5.948
  244    HA3  GLY  34           HA2      GLY  34   7.388  -5.259  -7.018
  245    H    VAL  35           H        VAL  35   8.049  -7.015  -4.522
  246    HA   VAL  35           HA       VAL  35   6.563  -9.286  -5.247
  247    HB   VAL  35           HB       VAL  35   8.565  -9.089  -3.617
  248   HG11  VAL  35          HG11      VAL  35   7.136  -7.496  -2.162
  249   HG12  VAL  35          HG12      VAL  35   8.095  -8.724  -1.335
  250   HG13  VAL  35          HG13      VAL  35   6.363  -8.964  -1.567
  251   HG21  VAL  35          HG21      VAL  35   7.389 -11.211  -4.172
  252   HG22  VAL  35          HG22      VAL  35   6.220 -10.879  -2.893
  253   HG23  VAL  35          HG23      VAL  35   7.911 -11.173  -2.488
  254    H    ILE  36           H        ILE  36   5.750  -6.643  -3.090
  255    HA   ILE  36           HA       ILE  36   3.359  -7.833  -1.994
  256    HB   ILE  36           HB       ILE  36   4.758  -5.750  -1.199
  257   HG12  ILE  36          HG13      ILE  36   1.722  -5.812  -1.170
  258   HG13  ILE  36          HG12      ILE  36   2.787  -6.624  -0.026
  259   HG21  ILE  36          HG21      ILE  36   4.080  -3.654  -2.043
  260   HG22  ILE  36          HG22      ILE  36   2.625  -4.323  -2.784
  261   HG23  ILE  36          HG23      ILE  36   4.207  -4.650  -3.493
  262   HD11  ILE  36          HD11      ILE  36   2.582  -3.629  -0.449
  263   HD12  ILE  36          HD12      ILE  36   3.715  -4.419   0.648
  264   HD13  ILE  36          HD13      ILE  36   1.980  -4.524   0.945
  265    H    ASP  37           H        ASP  37   4.113  -6.157  -4.931
  266    HA   ASP  37           HA       ASP  37   1.672  -5.022  -5.652
  267    HB2  ASP  37           HB3      ASP  37   3.678  -6.420  -7.432
  268    HB3  ASP  37           HB2      ASP  37   2.376  -5.387  -8.014
  269    H    SER  38           H        SER  38   2.569  -8.466  -5.930
  270    HA   SER  38           HA       SER  38  -0.220  -8.949  -6.896
  271    HB2  SER  38           2HB      SER  38   1.817  -9.598  -8.350
  272    HB3  SER  38           1HB      SER  38   2.029 -10.918  -7.203
  273    H    LEU  39           H        LEU  39   2.266 -10.877  -5.176
  274    HA   LEU  39           HA       LEU  39   0.346 -12.552  -3.914
  275    HB2  LEU  39           HB3      LEU  39   3.171 -11.872  -3.100
  276    HB3  LEU  39           HB2      LEU  39   2.218 -13.158  -2.367
  277    HG   LEU  39           HG       LEU  39   1.940 -13.692  -5.053
  278   HD11  LEU  39          HD11      LEU  39   4.754 -12.690  -4.540
  279   HD12  LEU  39          HD12      LEU  39   3.590 -11.996  -5.668
  280   HD13  LEU  39          HD13      LEU  39   4.255 -13.602  -5.964
  281   HD21  LEU  39          HD21      LEU  39   3.478 -15.551  -4.615
  282   HD22  LEU  39          HD22      LEU  39   2.452 -15.282  -3.206
  283   HD23  LEU  39          HD23      LEU  39   4.120 -14.710  -3.204
  284    H    GLY  40           H        GLY  40   2.162  -9.805  -2.553
  285    HA2  GLY  40           HA3      GLY  40   0.687  -9.848  -0.073
  286    HA3  GLY  40           HA2      GLY  40   1.721  -8.538  -0.629
  287    H    LEU  41           H        LEU  41   0.392  -8.056  -3.109
  288    HA   LEU  41           HA       LEU  41  -1.595  -6.202  -2.294
  289    HB2  LEU  41           HB3      LEU  41  -0.411  -6.115  -4.481
  290    HB3  LEU  41           HB2      LEU  41  -1.307  -7.541  -4.998
  291    HG   LEU  41           HG       LEU  41  -3.432  -6.254  -4.573
  292   HD11  LEU  41          HD11      LEU  41  -2.942  -3.677  -4.673
  293   HD12  LEU  41          HD12      LEU  41  -1.391  -4.138  -3.974
  294   HD13  LEU  41          HD13      LEU  41  -2.888  -4.512  -3.122
  295   HD21  LEU  41          HD21      LEU  41  -2.491  -6.493  -6.836
  296   HD22  LEU  41          HD22      LEU  41  -1.483  -5.070  -6.571
  297   HD23  LEU  41          HD23      LEU  41  -3.239  -4.908  -6.637
  298    H    LEU  42           H        LEU  42  -1.948  -9.482  -3.644
  299    HA   LEU  42           HA       LEU  42  -4.791  -9.493  -3.694
  300    HB2  LEU  42           HB3      LEU  42  -3.291 -11.242  -4.722
  301    HB3  LEU  42           HB2      LEU  42  -3.011 -11.873  -3.105
  302    HG   LEU  42           HG       LEU  42  -5.639 -11.892  -2.972
  303   HD11  LEU  42          HD11      LEU  42  -6.796 -11.795  -4.941
  304   HD12  LEU  42          HD12      LEU  42  -5.485 -12.532  -5.862
  305   HD13  LEU  42          HD13      LEU  42  -5.414 -10.822  -5.443
  306   HD21  LEU  42          HD21      LEU  42  -3.781 -13.828  -4.332
  307   HD22  LEU  42          HD22      LEU  42  -5.506 -14.189  -4.245
  308   HD23  LEU  42          HD23      LEU  42  -4.575 -13.969  -2.763
  309    H    LYS  43           H        LYS  43  -2.512 -10.381  -1.103
  310    HA   LYS  43           HA       LYS  43  -4.506 -11.218   0.769
  311    HB2  LYS  43           HB3      LYS  43  -1.754 -10.047   1.211
  312    HB3  LYS  43           HB2      LYS  43  -2.729 -10.805   2.465
  313    HG2  LYS  43           HG3      LYS  43  -2.794 -12.892   1.094
  314    HG3  LYS  43           HG2      LYS  43  -1.703 -12.126  -0.061
  315    HD2  LYS  43           HD3      LYS  43  -0.051 -11.793   1.785
  316    HD3  LYS  43           HD2      LYS  43  -1.124 -12.690   2.861
  317    HE2  LYS  43           HE3      LYS  43  -0.335 -13.933   0.250
  318    HE3  LYS  43           HE2      LYS  43   0.825 -13.937   1.578
  319    HZ1  LYS  43           HZ1      LYS  43  -1.960 -14.804   2.008
  320    HZ2  LYS  43           HZ2      LYS  43  -0.575 -15.185   2.909
  321    HZ3  LYS  43           HZ3      LYS  43  -0.808 -15.881   1.377
  322    H    VAL  44           H        VAL  44  -3.010  -8.069   0.092
  323    HA   VAL  44           HA       VAL  44  -4.324  -6.681   2.250
  324    HB   VAL  44           HB       VAL  44  -3.134  -5.680  -0.348
  325   HG11  VAL  44          HG11      VAL  44  -4.436  -3.862   0.202
  326   HG12  VAL  44          HG12      VAL  44  -3.068  -3.537   1.267
  327   HG13  VAL  44          HG13      VAL  44  -4.521  -4.306   1.906
  328   HG21  VAL  44          HG21      VAL  44  -1.940  -5.154   2.327
  329   HG22  VAL  44          HG22      VAL  44  -1.146  -5.494   0.790
  330   HG23  VAL  44          HG23      VAL  44  -1.839  -6.812   1.736
  331    H    ILE  45           H        ILE  45  -5.083  -6.918  -1.238
  332    HA   ILE  45           HA       ILE  45  -7.442  -5.320  -1.082
  333    HB   ILE  45           HB       ILE  45  -6.731  -7.537  -3.024
  334   HG12  ILE  45          HG13      ILE  45  -5.057  -5.767  -3.056
  335   HG13  ILE  45          HG12      ILE  45  -6.062  -5.615  -4.491
  336   HG21  ILE  45          HG21      ILE  45  -9.098  -7.072  -3.109
  337   HG22  ILE  45          HG22      ILE  45  -8.338  -6.321  -4.511
  338   HG23  ILE  45          HG23      ILE  45  -8.801  -5.335  -3.124
  339   HD11  ILE  45          HD11      ILE  45  -5.958  -3.883  -2.048
  340   HD12  ILE  45          HD12      ILE  45  -7.472  -4.001  -2.946
  341   HD13  ILE  45          HD13      ILE  45  -6.016  -3.416  -3.748
  342    H    ALA  46           H        ALA  46  -6.948  -8.837  -0.741
  343    HA   ALA  46           HA       ALA  46  -9.722  -9.509  -0.632
  344    HB1  ALA  46           HB1      ALA  46  -7.193 -10.789   0.353
  345    HB2  ALA  46           HB2      ALA  46  -8.349 -11.380  -0.841
  346    HB3  ALA  46           HB3      ALA  46  -8.744 -11.447   0.877
  347    H    TRP  47           H        TRP  47  -7.422  -8.691   1.983
  348    HA   TRP  47           HA       TRP  47  -9.540  -8.810   3.994
  349    HB2  TRP  47           HB3      TRP  47  -7.620  -9.221   5.135
  350    HB3  TRP  47           HB2      TRP  47  -6.628  -8.346   3.969
  351    HD1  TRP  47           HD1      TRP  47  -9.500  -7.173   6.308
  352    HE1  TRP  47           HE1      TRP  47  -8.672  -5.083   7.575
  353    HE3  TRP  47           HE3      TRP  47  -4.766  -6.879   4.480
  354    HZ2  TRP  47           HZ2      TRP  47  -6.291  -3.501   7.789
  355    HZ3  TRP  47           HZ3      TRP  47  -3.225  -5.079   5.225
  356    HH2  TRP  47           HH2      TRP  47  -3.984  -3.391   6.876
  357    H    LEU  48           H        LEU  48  -7.600  -6.239   2.490
  358    HA   LEU  48           HA       LEU  48  -8.818  -4.045   3.788
  359    HB2  LEU  48           HB3      LEU  48  -6.739  -3.980   2.368
  360    HB3  LEU  48           HB2      LEU  48  -7.770  -4.085   0.953
  361    HG   LEU  48           HG       LEU  48  -8.993  -2.046   1.830
  362   HD11  LEU  48          HD11      LEU  48  -7.155  -2.512   3.994
  363   HD12  LEU  48          HD12      LEU  48  -8.456  -1.328   3.889
  364   HD13  LEU  48          HD13      LEU  48  -6.846  -0.925   3.293
  365   HD21  LEU  48          HD21      LEU  48  -6.527  -0.765   1.409
  366   HD22  LEU  48          HD22      LEU  48  -7.729  -1.166   0.182
  367   HD23  LEU  48          HD23      LEU  48  -6.413  -2.289   0.527
  368    H    GLU  49           H        GLU  49  -9.778  -5.704   0.763
  369    HA   GLU  49           HA       GLU  49 -11.888  -3.852   0.167
  370    HB2  GLU  49           HB3      GLU  49 -12.603  -5.438  -1.469
  371    HB3  GLU  49           HB2      GLU  49 -10.851  -5.535  -1.435
  372    HG2  GLU  49           HG3      GLU  49 -11.356  -7.781  -1.304
  373    HG3  GLU  49           HG2      GLU  49 -11.367  -7.379   0.409
  374    H    ASP  50           H        ASP  50 -11.765  -6.856   2.042
  375    HA   ASP  50           HA       ASP  50 -14.586  -7.079   2.487
  376    HB2  ASP  50           HB3      ASP  50 -12.857  -8.862   2.951
  377    HB3  ASP  50           HB2      ASP  50 -12.384  -7.931   4.371
  378    H    ARG  51           H        ARG  51 -12.002  -5.376   4.184
  379    HA   ARG  51           HA       ARG  51 -13.468  -4.555   6.469
  380    HB2  ARG  51           HB3      ARG  51 -10.987  -4.331   6.142
  381    HB3  ARG  51           HB2      ARG  51 -11.301  -2.981   5.051
  382    HG2  ARG  51           HG3      ARG  51 -12.394  -1.737   6.835
  383    HG3  ARG  51           HG2      ARG  51 -12.234  -3.107   7.933
  384    HD2  ARG  51           HD3      ARG  51 -10.451  -1.559   8.437
  385    HD3  ARG  51           HD2      ARG  51  -9.735  -2.952   7.629
  386    HE   ARG  51           HE       ARG  51 -10.354  -1.059   5.621
  387   HH11  ARG  51          HH22      ARG  51  -8.379  -1.422   8.422
  388   HH12  ARG  51          HH21      ARG  51  -7.131  -0.370   7.843
  389   HH21  ARG  51          HH11      ARG  51  -8.736   0.319   4.847
  390   HH22  ARG  51          HH12      ARG  51  -7.333   0.615   5.819
  391    H    PHE  52           H        PHE  52 -13.188  -3.042   3.246
  392    HA   PHE  52           HA       PHE  52 -15.245  -1.061   4.104
  393    HB2  PHE  52           HB3      PHE  52 -13.069  -1.012   2.030
  394    HB3  PHE  52           HB2      PHE  52 -14.465   0.052   1.875
  395    HD1  PHE  52           HD1      PHE  52 -14.975   1.730   3.625
  396    HD2  PHE  52           HD2      PHE  52 -11.426  -0.686   3.778
  397    HE1  PHE  52           HE1      PHE  52 -14.010   3.256   5.324
  398    HE2  PHE  52           HE2      PHE  52 -10.461   0.843   5.476
  399    HZ   PHE  52           HZ       PHE  52 -11.755   2.811   6.252
  400    H    GLY  53           H        GLY  53 -15.048  -3.968   2.537
  401    HA2  GLY  53           HA3      GLY  53 -16.636  -5.108   1.231
  402    HA3  GLY  53           HA2      GLY  53 -17.711  -3.729   1.460
  403    H    ILE  54           H        ILE  54 -14.476  -3.695  -0.016
  404    HA   ILE  54           HA       ILE  54 -15.607  -2.303  -2.350
  405    HB   ILE  54           HB       ILE  54 -12.751  -3.182  -1.830
  406   HG12  ILE  54          HG13      ILE  54 -14.038  -0.479  -1.341
  407   HG13  ILE  54          HG12      ILE  54 -13.728  -1.662  -0.070
  408   HG21  ILE  54          HG21      ILE  54 -13.179  -2.662  -4.173
  409   HG22  ILE  54          HG22      ILE  54 -12.257  -1.343  -3.451
  410   HG23  ILE  54          HG23      ILE  54 -13.990  -1.162  -3.722
  411   HD11  ILE  54          HD11      ILE  54 -11.487  -1.258  -0.063
  412   HD12  ILE  54          HD12      ILE  54 -11.948   0.269  -0.816
  413   HD13  ILE  54          HD13      ILE  54 -11.415  -1.082  -1.816
  414    H    ALA  55           H        ALA  55 -15.668  -3.164  -4.465
  415    HA   ALA  55           HA       ALA  55 -15.831  -6.074  -4.612
  416    HB1  ALA  55           HB1      ALA  55 -16.817  -5.757  -6.696
  417    HB2  ALA  55           HB2      ALA  55 -15.855  -4.321  -7.046
  418    HB3  ALA  55           HB3      ALA  55 -17.201  -4.226  -5.910
  419    H    ALA  56           H        ALA  56 -14.137  -7.380  -5.040
  420    HA   ALA  56           HA       ALA  56 -11.539  -6.319  -5.771
  421    HB1  ALA  56           HB1      ALA  56 -12.002  -9.214  -6.138
  422    HB2  ALA  56           HB2      ALA  56 -12.380  -8.604  -4.527
  423    HB3  ALA  56           HB3      ALA  56 -10.763  -8.382  -5.197
  424    H    ASP  57           H        ASP  57 -14.285  -7.420  -7.539
  425    HA   ASP  57           HA       ASP  57 -13.190  -8.464  -9.890
  426    HB2  ASP  57           HB3      ASP  57 -15.559  -6.625  -9.530
  427    HB3  ASP  57           HB2      ASP  57 -15.188  -7.450 -11.042
  428    H    ASP  58           H        ASP  58 -13.384  -5.080  -8.863
  429    HA   ASP  58           HA       ASP  58 -12.614  -3.900 -11.340
  430    HB2  ASP  58           HB3      ASP  58 -12.119  -2.995  -8.499
  431    HB3  ASP  58           HB2      ASP  58 -11.826  -1.993  -9.918
  432    H    VAL  59           H        VAL  59 -10.631  -3.689 -12.317
  433    HA   VAL  59           HA       VAL  59  -8.189  -4.366 -10.776
  434    HB   VAL  59           HB       VAL  59  -8.839  -6.497 -11.751
  435   HG11  VAL  59          HG11      VAL  59 -10.346  -5.823 -13.481
  436   HG12  VAL  59          HG12      VAL  59  -9.001  -6.627 -14.292
  437   HG13  VAL  59          HG13      VAL  59  -9.101  -4.866 -14.285
  438   HG21  VAL  59          HG21      VAL  59  -6.750  -6.981 -12.524
  439   HG22  VAL  59          HG22      VAL  59  -6.403  -5.303 -12.105
  440   HG23  VAL  59          HG23      VAL  59  -6.816  -5.730 -13.766
  441    H    GLU  60           H        GLU  60  -9.339  -1.915 -11.947
  442    HA   GLU  60           HA       GLU  60  -8.046  -1.221 -14.398
  443    HB2  GLU  60           HB3      GLU  60  -8.921   0.529 -12.084
  444    HB3  GLU  60           HB2      GLU  60  -8.441   1.131 -13.665
  445    HG2  GLU  60           HG3      GLU  60 -10.237  -0.224 -14.698
  446    HG3  GLU  60           HG2      GLU  60 -10.745  -0.737 -13.094
  447    H    LEU  61           H        LEU  61  -6.858  -1.483 -11.142
  448    HA   LEU  61           HA       LEU  61  -4.589   0.268 -11.424
  449    HB2  LEU  61           HB3      LEU  61  -5.084  -2.093  -9.593
  450    HB3  LEU  61           HB2      LEU  61  -3.685  -1.033  -9.467
  451    HG   LEU  61           HG       LEU  61  -5.331   0.903  -9.311
  452   HD11  LEU  61          HD11      LEU  61  -7.207  -1.444  -9.184
  453   HD12  LEU  61          HD12      LEU  61  -7.394   0.084 -10.044
  454   HD13  LEU  61          HD13      LEU  61  -7.582   0.029  -8.293
  455   HD21  LEU  61          HD21      LEU  61  -6.075  -0.230  -6.887
  456   HD22  LEU  61          HD22      LEU  61  -4.572   0.641  -7.196
  457   HD23  LEU  61          HD23      LEU  61  -4.614  -1.117  -7.323
  458    H    SER  62           H        SER  62  -2.523  -0.170 -12.138
  459    HA   SER  62           HA       SER  62  -2.020  -2.877 -13.288
  460    HB2  SER  62           HB3      SER  62  -0.446  -1.023 -14.689
  461    HB3  SER  62           HB2      SER  62  -1.890  -1.836 -15.283
  462    HG   SER  62           HG       SER  62  -2.887   0.008 -13.878
  463    HA   PRO  63           HA       PRO  63   1.777  -3.167 -11.070
  464    HB2  PRO  63           HB2      PRO  63   3.654  -3.267 -13.194
  465    HB3  PRO  63           HB3      PRO  63   2.894  -4.646 -12.385
  466    HG2  PRO  63           HG3      PRO  63   2.253  -3.389 -14.969
  467    HG3  PRO  63           HG2      PRO  63   1.990  -5.051 -14.419
  468    HD2  PRO  63           HD3      PRO  63  -0.040  -3.255 -14.685
  469    HD3  PRO  63           HD2      PRO  63  -0.068  -4.558 -13.480
  470    H    GLU  64           H        GLU  64   1.700  -0.833 -13.706
  471    HA   GLU  64           HA       GLU  64   3.964   0.728 -12.861
  472    HB2  GLU  64           HB3      GLU  64   1.523   1.497 -14.468
  473    HB3  GLU  64           HB2      GLU  64   2.949   2.506 -14.284
  474    HG2  GLU  64           HG3      GLU  64   4.323   0.693 -15.262
  475    HG3  GLU  64           HG2      GLU  64   2.861  -0.254 -15.509
  476    H    HIS  65           H        HIS  65   0.640   0.537 -11.831
  477    HA   HIS  65           HA       HIS  65   0.488   3.096 -10.520
  478    HB2  HIS  65           HB3      HIS  65  -1.542   1.857 -11.012
  479    HB3  HIS  65           HB2      HIS  65  -0.999   0.501 -10.026
  480    HD1  HIS  65           HD1      HIS  65  -1.697   0.532  -7.633
  481    HD2  HIS  65           HD2      HIS  65  -1.898   4.330  -9.345
  482    HE1  HIS  65           HE1      HIS  65  -2.708   2.056  -5.880
  483    HE2  HIS  65           HE2      HIS  65  -2.827   4.370  -6.909
  484    H    PHE  66           H        PHE  66   1.882   0.025  -9.635
  485    HA   PHE  66           HA       PHE  66   2.196   0.848  -6.812
  486    HB2  PHE  66           HB3      PHE  66   3.061  -1.656  -8.294
  487    HB3  PHE  66           HB2      PHE  66   3.229  -1.402  -6.557
  488    HD1  PHE  66           HD2      PHE  66   1.249  -1.283  -5.095
  489    HD2  PHE  66           HD1      PHE  66   0.887  -2.036  -9.307
  490    HE1  PHE  66           HE2      PHE  66  -1.097  -2.016  -4.764
  491    HE2  PHE  66           HE1      PHE  66  -1.457  -2.771  -8.977
  492    HZ   PHE  66           HZ       PHE  66  -2.450  -2.760  -6.707
  493    H    ARG  67           H        ARG  67   3.634   1.862  -9.451
  494    HA   ARG  67           HA       ARG  67   6.391   1.320  -9.275
  495    HB2  ARG  67           HB3      ARG  67   5.310   2.612 -11.107
  496    HB3  ARG  67           HB2      ARG  67   5.077   3.959 -10.000
  497    HG2  ARG  67           HG3      ARG  67   7.052   4.537 -11.134
  498    HG3  ARG  67           HG2      ARG  67   7.652   3.811  -9.649
  499    HD2  ARG  67           HD3      ARG  67   7.977   1.665 -10.811
  500    HD3  ARG  67           HD2      ARG  67   7.344   2.369 -12.297
  501    HE   ARG  67           HE       ARG  67  10.004   2.855 -11.146
  502   HH11  ARG  67          HH22      ARG  67   7.481   3.830 -13.283
  503   HH12  ARG  67          HH21      ARG  67   8.524   4.768 -14.300
  504   HH21  ARG  67          HH11      ARG  67  11.380   4.073 -12.461
  505   HH22  ARG  67          HH12      ARG  67  10.731   4.905 -13.834
  506    H    SER  68           H        SER  68   4.448   3.686  -7.453
  507    HA   SER  68           HA       SER  68   6.626   3.802  -5.456
  508    HB2  SER  68           HB3      SER  68   6.794   6.209  -5.484
  509    HB3  SER  68           HB2      SER  68   7.044   5.637  -7.131
  510    HG   SER  68           HG       SER  68   4.578   6.545  -6.046
  511    H    ILE  69           H        ILE  69   5.918   4.816  -3.429
  512    HA   ILE  69           HA       ILE  69   3.296   4.022  -2.637
  513    HB   ILE  69           HB       ILE  69   5.223   5.954  -1.317
  514   HG12  ILE  69          HG13      ILE  69   4.783   3.013  -0.800
  515   HG13  ILE  69          HG12      ILE  69   6.087   3.640  -1.797
  516   HG21  ILE  69          HG21      ILE  69   3.656   4.470   0.515
  517   HG22  ILE  69          HG22      ILE  69   2.554   5.162  -0.674
  518   HG23  ILE  69          HG23      ILE  69   3.637   6.211   0.241
  519   HD11  ILE  69          HD11      ILE  69   6.035   3.378   1.033
  520   HD12  ILE  69          HD12      ILE  69   6.036   5.103   0.666
  521   HD13  ILE  69          HD13      ILE  69   7.317   4.067   0.036
  522    H    ARG  70           H        ARG  70   4.637   7.150  -3.637
  523    HA   ARG  70           HA       ARG  70   2.446   8.785  -2.865
  524    HB2  ARG  70           HB3      ARG  70   4.657   9.636  -3.650
  525    HB3  ARG  70           HB2      ARG  70   4.232   9.141  -5.288
  526    HG2  ARG  70           HG3      ARG  70   2.254  10.621  -5.222
  527    HG3  ARG  70           HG2      ARG  70   2.693  11.128  -3.591
  528    HD2  ARG  70           HD3      ARG  70   3.528  12.805  -5.108
  529    HD3  ARG  70           HD2      ARG  70   4.917  11.889  -4.524
  530    HE   ARG  70           HE       ARG  70   4.018  10.652  -6.915
  531   HH11  ARG  70          HH22      ARG  70   5.370  13.606  -5.761
  532   HH12  ARG  70          HH21      ARG  70   6.193  13.962  -7.243
  533   HH21  ARG  70          HH11      ARG  70   5.084  11.100  -8.856
  534   HH22  ARG  70          HH12      ARG  70   6.031  12.544  -8.995
  535    H    SER  71           H        SER  71   2.997   6.959  -5.883
  536    HA   SER  71           HA       SER  71   0.689   7.940  -7.250
  537    HB2  SER  71           HB3      SER  71   0.997   6.059  -8.736
  538    HB3  SER  71           HB2      SER  71   2.590   6.653  -8.286
  539    HG   SER  71           HG       SER  71   2.800   4.571  -7.844
  540    H    ILE  72           H        ILE  72   1.155   5.229  -5.008
  541    HA   ILE  72           HA       ILE  72  -1.476   4.130  -5.324
  542    HB   ILE  72           HB       ILE  72   0.422   3.983  -2.965
  543   HG12  ILE  72          HG13      ILE  72   0.022   2.065  -5.283
  544   HG13  ILE  72          HG12      ILE  72   1.366   3.200  -5.153
  545   HG21  ILE  72          HG21      ILE  72  -1.111   1.645  -3.223
  546   HG22  ILE  72          HG22      ILE  72  -2.248   2.975  -3.438
  547   HG23  ILE  72          HG23      ILE  72  -1.267   2.882  -1.976
  548   HD11  ILE  72          HD11      ILE  72   2.260   1.214  -4.262
  549   HD12  ILE  72          HD12      ILE  72   0.758   0.801  -3.436
  550   HD13  ILE  72          HD13      ILE  72   1.768   2.112  -2.826
  551    H    ASP  73           H        ASP  73  -0.087   6.536  -3.124
  552    HA   ASP  73           HA       ASP  73  -2.310   6.817  -1.383
  553    HB2  ASP  73           HB3      ASP  73  -0.023   7.823  -1.065
  554    HB3  ASP  73           HB2      ASP  73  -0.447   9.030  -2.280
  555    H    ALA  74           H        ALA  74  -1.589   8.458  -4.469
  556    HA   ALA  74           HA       ALA  74  -3.865  10.202  -4.364
  557    HB1  ALA  74           HB1      ALA  74  -2.483   9.158  -6.848
  558    HB2  ALA  74           HB2      ALA  74  -1.874  10.496  -5.874
  559    HB3  ALA  74           HB3      ALA  74  -3.424  10.642  -6.702
  560    H    PHE  75           H        PHE  75  -3.402   7.014  -5.889
  561    HA   PHE  75           HA       PHE  75  -5.980   6.883  -7.097
  562    HB2  PHE  75           HB3      PHE  75  -4.114   5.321  -7.605
  563    HB3  PHE  75           HB2      PHE  75  -4.334   4.589  -6.017
  564    HD1  PHE  75           HD1      PHE  75  -5.894   5.143  -9.328
  565    HD2  PHE  75           HD2      PHE  75  -6.191   3.124  -5.549
  566    HE1  PHE  75           HE1      PHE  75  -7.697   3.705 -10.238
  567    HE2  PHE  75           HE2      PHE  75  -7.994   1.685  -6.459
  568    HZ   PHE  75           HZ       PHE  75  -8.747   1.976  -8.804
  569    H    VAL  76           H        VAL  76  -4.866   5.613  -3.937
  570    HA   VAL  76           HA       VAL  76  -7.463   4.703  -3.146
  571    HB   VAL  76           HB       VAL  76  -5.023   5.466  -1.518
  572   HG11  VAL  76          HG11      VAL  76  -7.729   4.447  -0.778
  573   HG12  VAL  76          HG12      VAL  76  -6.654   5.526   0.110
  574   HG13  VAL  76          HG13      VAL  76  -6.338   3.792   0.083
  575   HG21  VAL  76          HG21      VAL  76  -4.337   3.285  -1.765
  576   HG22  VAL  76          HG22      VAL  76  -5.259   3.417  -3.263
  577   HG23  VAL  76          HG23      VAL  76  -5.987   2.667  -1.842
  578    H    VAL  77           H        VAL  77  -5.670   7.737  -2.470
  579    HA   VAL  77           HA       VAL  77  -7.630   8.910  -0.786
  580    HB   VAL  77           HB       VAL  77  -5.590  10.097  -2.676
  581   HG11  VAL  77          HG11      VAL  77  -6.189  12.146  -1.039
  582   HG12  VAL  77          HG12      VAL  77  -7.773  11.374  -1.115
  583   HG13  VAL  77          HG13      VAL  77  -6.983  11.914  -2.596
  584   HG21  VAL  77          HG21      VAL  77  -4.309  10.461  -0.714
  585   HG22  VAL  77          HG22      VAL  77  -4.989   8.849  -0.487
  586   HG23  VAL  77          HG23      VAL  77  -5.704  10.233   0.341
  587    H    GLY  78           H        GLY  78  -7.294   8.886  -4.314
  588    HA2  GLY  78           HA3      GLY  78  -9.359  10.716  -4.939
  589    HA3  GLY  78           HA2      GLY  78  -8.850   9.394  -5.987
  590    H    ALA  79           H        ALA  79  -9.533   7.303  -4.001
  591    HA   ALA  79           HA       ALA  79 -12.484   7.399  -4.407
  592    HB1  ALA  79           HB1      ALA  79 -10.710   5.015  -3.828
  593    HB2  ALA  79           HB2      ALA  79 -11.245   5.505  -5.436
  594    HB3  ALA  79           HB3      ALA  79 -12.424   4.965  -4.241
  595    H    THR  80           H        THR  80 -10.109   6.306  -1.971
  596    HA   THR  80           HA       THR  80 -11.837   7.352   0.159
  597    HB   THR  80           HB       THR  80 -12.681   5.011  -0.397
  598    HG1  THR  80           HG1      THR  80 -11.761   4.752   2.155
  599   HG21  THR  80          HG21      THR  80 -10.021   4.376  -0.482
  600   HG22  THR  80          HG22      THR  80 -11.318   3.200  -0.271
  601   HG23  THR  80          HG23      THR  80 -10.459   3.827   1.135
  602    H    THR  81           H        THR  81 -10.688   7.557   2.155
  603    HA   THR  81           HA       THR  81  -7.789   6.863   2.018
  604    HB   THR  81           HB       THR  81  -7.882   9.206   1.587
  605    HG1  THR  81           HG1      THR  81  -6.705   8.275   3.621
  606   HG21  THR  81          HG21      THR  81  -9.883  10.150   2.072
  607   HG22  THR  81          HG22      THR  81  -9.173  10.473   3.654
  608   HG23  THR  81          HG23      THR  81 -10.182   9.047   3.415
  609    HA   PRO  82           HA       PRO  82  -9.472   5.337   6.005
  610    HB2  PRO  82           HB2      PRO  82  -8.646   2.797   5.816
  611    HB3  PRO  82           HB3      PRO  82 -10.036   3.382   4.880
  612    HG2  PRO  82           HG3      PRO  82  -7.263   2.822   3.991
  613    HG3  PRO  82           HG2      PRO  82  -8.795   2.616   3.125
  614    HD2  PRO  82           HD3      PRO  82  -7.008   4.801   2.868
  615    HD3  PRO  82           HD2      PRO  82  -8.664   4.713   2.230
  616    HA   PRO  83           HA       PRO  83  -5.203   5.816   7.625
  617    HB2  PRO  83           HB2      PRO  83  -5.851   7.070   9.935
  618    HB3  PRO  83           HB3      PRO  83  -5.812   7.920   8.378
  619    HG2  PRO  83           HG3      PRO  83  -8.134   6.957   9.950
  620    HG3  PRO  83           HG2      PRO  83  -7.973   8.397   8.933
  621    HD2  PRO  83           HD3      PRO  83  -9.227   6.010   8.170
  622    HD3  PRO  83           HD2      PRO  83  -8.676   7.284   7.063
  623    H    VAL  84           H        VAL  84  -4.130   4.283   8.845
  624    HA   VAL  84           HA       VAL  84  -5.651   2.891  11.003
  625    HB   VAL  84           HB       VAL  84  -5.627   1.490   8.936
  626   HG11  VAL  84          HG11      VAL  84  -3.746   1.143   7.734
  627   HG12  VAL  84          HG12      VAL  84  -2.788   0.810   9.178
  628   HG13  VAL  84          HG13      VAL  84  -3.052   2.475   8.658
  629   HG21  VAL  84          HG21      VAL  84  -4.005   0.552  11.318
  630   HG22  VAL  84          HG22      VAL  84  -4.570  -0.530  10.045
  631   HG23  VAL  84          HG23      VAL  84  -5.734   0.335  11.050
  632    H    GLU  85           H        GLU  85  -4.414   2.420  12.825
  633    HA   GLU  85           HA       GLU  85  -1.995   3.895  13.228
  634    HB2  GLU  85           HB3      GLU  85  -3.172   1.582  14.797
  635    HB3  GLU  85           HB2      GLU  85  -1.833   2.587  15.352
  636    HG2  GLU  85           HG3      GLU  85  -3.289   4.593  15.162
  637    HG3  GLU  85           HG2      GLU  85  -4.631   3.550  14.689
  638    H    ALA  86           H        ALA  86  -2.596   0.509  12.362
  639    HA   ALA  86           HA       ALA  86   0.239   0.297  11.539
  640    HB1  ALA  86           HB1      ALA  86  -0.415  -0.627  14.013
  641    HB2  ALA  86           HB2      ALA  86   0.853  -1.337  13.013
  642    HB3  ALA  86           HB3      ALA  86  -0.757  -2.057  13.039
  643    H    LYS  87           H        LYS  87   0.585  -1.487  10.048
  644    HA   LYS  87           HA       LYS  87  -1.527  -1.905   8.201
  645    HB2  LYS  87           HB3      LYS  87   0.930  -2.210   7.730
  646    HB3  LYS  87           HB2      LYS  87   0.858  -3.727   8.628
  647    HG2  LYS  87           HG3      LYS  87  -0.908  -4.535   7.074
  648    HG3  LYS  87           HG2      LYS  87  -0.751  -3.041   6.150
  649    HD2  LYS  87           HD3      LYS  87   1.713  -3.600   5.877
  650    HD3  LYS  87           HD2      LYS  87   1.345  -5.188   6.549
  651    HE2  LYS  87           HE3      LYS  87   0.269  -3.964   4.000
  652    HE3  LYS  87           HE2      LYS  87   1.220  -5.439   4.173
  653    HZ1  LYS  87           HZ1      LYS  87  -1.602  -5.050   4.456
  654    HZ2  LYS  87           HZ2      LYS  87  -0.929  -5.848   5.792
  655    HZ3  LYS  87           HZ3      LYS  87  -0.724  -6.487   4.231
  656    H    LEU  88           H        LEU  88  -0.414  -3.868  10.936
  657    HA   LEU  88           HA       LEU  88  -1.978  -6.183  10.445
  658    HB2  LEU  88           HB3      LEU  88  -0.218  -5.990  12.213
  659    HB3  LEU  88           HB2      LEU  88  -1.312  -4.968  13.144
  660    HG   LEU  88           HG       LEU  88  -2.999  -6.846  13.073
  661   HD11  LEU  88          HD11      LEU  88  -1.731  -9.130  12.682
  662   HD12  LEU  88          HD12      LEU  88  -0.686  -8.142  11.664
  663   HD13  LEU  88          HD13      LEU  88  -2.410  -8.252  11.313
  664   HD21  LEU  88          HD21      LEU  88  -1.329  -8.365  14.562
  665   HD22  LEU  88          HD22      LEU  88  -2.013  -6.847  15.144
  666   HD23  LEU  88          HD23      LEU  88  -0.380  -6.881  14.479
  667    H    GLN  89           H        GLN  89  -2.815  -3.103  11.986
  668    HA   GLN  89           HA       GLN  89  -5.520  -4.038  12.647
  669    HB2  GLN  89           HB3      GLN  89  -4.389  -1.224  12.723
  670    HB3  GLN  89           HB2      GLN  89  -5.863  -1.788  13.512
  671    HG2  GLN  89           HG3      GLN  89  -3.048  -2.747  14.113
  672    HG3  GLN  89           HG2      GLN  89  -4.022  -1.688  15.134
  673   HE21  GLN  89          HE22      GLN  89  -3.018  -4.757  15.153
  674   HE22  GLN  89          HE21      GLN  89  -4.387  -5.549  15.767
  675    H1   PN7 101           3HO      SAT  38  -0.464  -7.045 -12.909
  676    H2   PN7 101           1H1      SAT  38  -1.728  -8.416 -10.741
  677    H3   PN7 101           2H1      SAT  38  -0.167  -8.610 -11.538
  678    H5   PN7 101          3HE1      SAT  38  -1.017  -6.493  -8.587
  679    H6   PN7 101          1HE1      SAT  38  -0.055  -5.149  -9.203
  680    H7   PN7 101          2HE1      SAT  38   0.714  -6.699  -8.860
  681    H8   PN7 101          2HE2      SAT  38  -2.515  -6.065 -10.427
  682    H9   PN7 101          3HE2      SAT  38  -2.051  -6.446 -12.086
  683    H10  PN7 101          1HE2      SAT  38  -1.518  -4.936 -11.345
  684    H11  PN7 101           3H       SAT  38   0.864  -5.235 -11.514
  685    H12  PN7 101           5H       SAT  38   2.837  -5.288 -10.579
  686    H13  PN7 101           2H6      SAT  38   4.971  -6.156 -10.006
  687    H14  PN7 101           1H6      SAT  38   4.749  -6.968 -11.556
  688    H15  PN7 101           1H7      SAT  38   4.189  -8.973 -10.579
  689    H16  PN7 101           2H7      SAT  38   3.418  -8.200  -9.194
  690    H17  PN7 101           9H       SAT  38   5.703  -7.996  -7.091
  691    H18  PN7 101          2H10      SAT  38   4.005 -10.188  -8.097
  692    H19  PN7 101          1H10      SAT  38   4.154  -9.685  -6.412
  693    H20  PN7 101          1H11      SAT  38   5.437 -11.870  -7.665
  694    H21  PN7 101          2H11      SAT  38   5.724 -11.259  -6.036
  695    H22  PN7 101          2HS1      SAT  38   7.598 -10.904  -8.392
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1   0.748  13.174   2.044
    2    H2   MET   1           H2       MET   1  -0.695  13.308   2.931
    3    H3   MET   1           H3       MET   1  -0.710  12.622   1.376
    4    HA   MET   1           HA       MET   1  -0.305  10.618   2.177
    5    HB2  MET   1           HB3      MET   1   2.005  12.040   3.508
    6    HB3  MET   1           HB2      MET   1   1.735  10.306   3.689
    7    HG2  MET   1           HG3      MET   1   1.767  10.068   1.217
    8    HG3  MET   1           HG2      MET   1   2.122  11.790   1.075
    9    HE1  MET   1           HE1      MET   1   3.807  12.923   2.339
   10    HE2  MET   1           HE2      MET   1   5.468  12.365   2.527
   11    HE3  MET   1           HE3      MET   1   4.277  12.053   3.797
   12    H    GLN   2           H        GLN   2  -2.019  10.063   3.423
   13    HA   GLN   2           HA       GLN   2  -2.112  11.076   6.233
   14    HB2  GLN   2           HB3      GLN   2  -4.285   9.852   4.502
   15    HB3  GLN   2           HB2      GLN   2  -4.499  10.374   6.174
   16    HG2  GLN   2           HG3      GLN   2  -3.917  12.674   5.558
   17    HG3  GLN   2           HG2      GLN   2  -3.626  12.171   3.892
   18   HE21  GLN   2          HE22      GLN   2  -5.618  14.139   4.540
   19   HE22  GLN   2          HE21      GLN   2  -7.144  13.483   4.191
   20    H    HIS   3           H        HIS   3  -2.072   9.573   7.922
   21    HA   HIS   3           HA       HIS   3  -1.404   7.524   8.894
   22    HB2  HIS   3           HB3      HIS   3  -3.822   7.135   7.265
   23    HB3  HIS   3           HB2      HIS   3  -2.937   5.644   7.579
   24    HD1  HIS   3           HD1      HIS   3  -2.948   4.731   9.958
   25    HD2  HIS   3           HD2      HIS   3  -4.722   8.495   9.672
   26    HE1  HIS   3           HE1      HIS   3  -4.053   5.175  12.195
   27    HE2  HIS   3           HE2      HIS   3  -5.136   7.462  12.031
   28    H    ALA   4           H        ALA   4   0.047   8.417   6.421
   29    HA   ALA   4           HA       ALA   4   0.576   6.294   4.644
   30    HB1  ALA   4           HB1      ALA   4   3.047   7.504   4.984
   31    HB2  ALA   4           HB2      ALA   4   1.912   8.769   5.456
   32    HB3  ALA   4           HB3      ALA   4   1.794   8.029   3.860
   33    H    SER   5           H        SER   5   1.934   6.939   7.869
   34    HA   SER   5           HA       SER   5   3.909   4.881   7.811
   35    HB2  SER   5           HB3      SER   5   2.359   5.891  10.212
   36    HB3  SER   5           HB2      SER   5   3.902   5.043  10.252
   37    HG   SER   5           HG       SER   5   3.649   7.350   8.682
   38    H    VAL   6           H        VAL   6   0.489   4.832   8.770
   39    HA   VAL   6           HA       VAL   6   0.488   2.094   9.650
   40    HB   VAL   6           HB       VAL   6  -1.739   3.840   8.585
   41   HG11  VAL   6          HG11      VAL   6  -2.857   1.873   8.387
   42   HG12  VAL   6          HG12      VAL   6  -2.904   1.900  10.150
   43   HG13  VAL   6          HG13      VAL   6  -1.644   0.991   9.315
   44   HG21  VAL   6          HG21      VAL   6  -2.312   3.600  11.154
   45   HG22  VAL   6          HG22      VAL   6  -1.120   4.786  10.624
   46   HG23  VAL   6          HG23      VAL   6  -0.592   3.243  11.294
   47    H    ILE   7           H        ILE   7  -0.064   3.662   6.543
   48    HA   ILE   7           HA       ILE   7  -0.903   1.336   5.115
   49    HB   ILE   7           HB       ILE   7   0.563   3.802   4.144
   50   HG12  ILE   7          HG13      ILE   7  -2.393   3.110   4.090
   51   HG13  ILE   7          HG12      ILE   7  -1.649   4.160   5.293
   52   HG21  ILE   7          HG21      ILE   7   0.758   2.022   2.501
   53   HG22  ILE   7          HG22      ILE   7  -0.464   3.162   1.937
   54   HG23  ILE   7          HG23      ILE   7  -0.955   1.631   2.663
   55   HD11  ILE   7          HD11      ILE   7  -2.246   4.685   2.436
   56   HD12  ILE   7          HD12      ILE   7  -0.708   5.313   3.028
   57   HD13  ILE   7          HD13      ILE   7  -2.215   5.799   3.803
   58    H    ALA   8           H        ALA   8   2.322   2.775   5.607
   59    HA   ALA   8           HA       ALA   8   3.745   0.903   3.981
   60    HB1  ALA   8           HB1      ALA   8   5.382   1.747   6.168
   61    HB2  ALA   8           HB2      ALA   8   4.377   3.107   5.665
   62    HB3  ALA   8           HB3      ALA   8   5.422   2.302   4.494
   63    H    GLN   9           H        GLN   9   3.284   0.949   7.532
   64    HA   GLN   9           HA       GLN   9   4.595  -1.597   7.866
   65    HB2  GLN   9           HB3      GLN   9   3.672  -1.543  10.162
   66    HB3  GLN   9           HB2      GLN   9   4.432  -0.012   9.732
   67    HG2  GLN   9           HG3      GLN   9   2.504   0.997  10.299
   68    HG3  GLN   9           HG2      GLN   9   1.785   0.249   8.878
   69   HE21  GLN   9          HE22      GLN   9   0.839  -2.007   9.231
   70   HE22  GLN   9          HE21      GLN   9   0.188  -2.370  10.756
   71    H    PHE  10           H        PHE  10   1.211  -0.641   7.492
   72    HA   PHE  10           HA       PHE  10   0.061  -3.166   8.090
   73    HB2  PHE  10           HB3      PHE  10  -1.247  -1.087   7.872
   74    HB3  PHE  10           HB2      PHE  10  -0.920  -1.070   6.139
   75    HD1  PHE  10           HD1      PHE  10  -2.699  -2.813   8.869
   76    HD2  PHE  10           HD2      PHE  10  -2.016  -2.617   4.633
   77    HE1  PHE  10           HE1      PHE  10  -4.638  -4.313   8.487
   78    HE2  PHE  10           HE2      PHE  10  -3.952  -4.117   4.251
   79    HZ   PHE  10           HZ       PHE  10  -5.265  -4.962   6.177
   80    H    VAL  11           H        VAL  11   1.079  -1.852   4.927
   81    HA   VAL  11           HA       VAL  11   0.302  -4.262   3.533
   82    HB   VAL  11           HB       VAL  11   0.467  -1.979   2.501
   83   HG11  VAL  11          HG11      VAL  11   3.425  -2.546   2.309
   84   HG12  VAL  11          HG12      VAL  11   2.754  -1.566   3.615
   85   HG13  VAL  11          HG13      VAL  11   2.572  -1.048   1.939
   86   HG21  VAL  11          HG21      VAL  11   2.236  -3.966   1.071
   87   HG22  VAL  11          HG22      VAL  11   1.086  -2.827   0.372
   88   HG23  VAL  11          HG23      VAL  11   0.503  -4.235   1.257
   89    H    VAL  12           H        VAL  12   3.565  -3.000   4.413
   90    HA   VAL  12           HA       VAL  12   4.952  -5.259   3.323
   91    HB   VAL  12           HB       VAL  12   6.884  -4.439   4.512
   92   HG11  VAL  12          HG11      VAL  12   5.180  -2.082   3.676
   93   HG12  VAL  12          HG12      VAL  12   6.024  -3.141   2.550
   94   HG13  VAL  12          HG13      VAL  12   6.940  -2.158   3.693
   95   HG21  VAL  12          HG21      VAL  12   6.272  -3.972   6.687
   96   HG22  VAL  12          HG22      VAL  12   4.782  -3.161   6.207
   97   HG23  VAL  12          HG23      VAL  12   6.331  -2.334   6.031
   98    H    GLU  13           H        GLU  13   3.628  -4.674   6.562
   99    HA   GLU  13           HA       GLU  13   4.948  -6.818   7.857
  100    HB2  GLU  13           HB3      GLU  13   2.321  -5.457   8.367
  101    HB3  GLU  13           HB2      GLU  13   2.874  -6.785   9.373
  102    HG2  GLU  13           HG3      GLU  13   4.941  -5.582   9.888
  103    HG3  GLU  13           HG2      GLU  13   4.443  -4.255   8.849
  104    H    GLU  14           H        GLU  14   2.105  -6.805   5.785
  105    HA   GLU  14           HA       GLU  14   1.236  -9.467   6.430
  106    HB2  GLU  14           HB3      GLU  14   0.907  -7.830   3.897
  107    HB3  GLU  14           HB2      GLU  14   0.082  -9.359   4.205
  108    HG2  GLU  14           HG3      GLU  14  -0.930  -8.383   6.250
  109    HG3  GLU  14           HG2      GLU  14  -0.146  -6.846   5.886
  110    H    PHE  15           H        PHE  15   3.686  -8.175   4.259
  111    HA   PHE  15           HA       PHE  15   4.209 -10.897   3.192
  112    HB2  PHE  15           HB3      PHE  15   5.534  -8.279   2.441
  113    HB3  PHE  15           HB2      PHE  15   5.616  -9.804   1.557
  114    HD1  PHE  15           HD2      PHE  15   3.439 -10.799   0.640
  115    HD2  PHE  15           HD1      PHE  15   3.764  -6.776   2.095
  116    HE1  PHE  15           HE2      PHE  15   1.344 -10.201  -0.548
  117    HE2  PHE  15           HE1      PHE  15   1.669  -6.175   0.921
  118    HZ   PHE  15           HZ       PHE  15   0.458  -7.888  -0.407
  119    H    LEU  16           H        LEU  16   6.155  -8.198   4.572
  120    HA   LEU  16           HA       LEU  16   7.886 -10.289   5.827
  121    HB2  LEU  16           HB3      LEU  16   8.631  -8.722   3.682
  122    HB3  LEU  16           HB2      LEU  16   9.291  -7.831   5.049
  123    HG   LEU  16           HG       LEU  16  10.177 -10.123   5.864
  124   HD11  LEU  16          HD11      LEU  16  10.113 -11.928   4.460
  125   HD12  LEU  16          HD12      LEU  16  10.254 -10.933   3.010
  126   HD13  LEU  16          HD13      LEU  16   8.694 -11.102   3.815
  127   HD21  LEU  16          HD21      LEU  16  11.286  -8.878   3.326
  128   HD22  LEU  16          HD22      LEU  16  12.188  -9.894   4.451
  129   HD23  LEU  16          HD23      LEU  16  11.605  -8.312   4.966
  130    HA   PRO  17           HA       PRO  17   6.839  -7.213   9.079
  131    HB2  PRO  17           HB2      PRO  17   5.818  -8.977  10.881
  132    HB3  PRO  17           HB3      PRO  17   4.847  -8.263   9.584
  133    HG2  PRO  17           HG3      PRO  17   5.890 -10.985   9.861
  134    HG3  PRO  17           HG2      PRO  17   4.515 -10.387   8.927
  135    HD2  PRO  17           HD3      PRO  17   7.120 -11.052   7.938
  136    HD3  PRO  17           HD2      PRO  17   5.769 -10.346   7.027
  137    H    ASP  18           H        ASP  18   8.963  -9.831   8.783
  138    HA   ASP  18           HA       ASP  18   9.951  -9.906  11.514
  139    HB2  ASP  18           HB3      ASP  18  11.116 -10.871   8.898
  140    HB3  ASP  18           HB2      ASP  18  11.856 -11.165  10.467
  141    H    VAL  19           H        VAL  19  10.119  -7.624   9.119
  142    HA   VAL  19           HA       VAL  19  12.728  -6.557  10.121
  143    HB   VAL  19           HB       VAL  19  11.295  -5.894   7.527
  144   HG11  VAL  19          HG11      VAL  19  14.093  -5.326   7.517
  145   HG12  VAL  19          HG12      VAL  19  13.408  -4.625   8.983
  146   HG13  VAL  19          HG13      VAL  19  12.753  -4.185   7.406
  147   HG21  VAL  19          HG21      VAL  19  13.320  -7.157   6.560
  148   HG22  VAL  19          HG22      VAL  19  12.054  -8.139   7.298
  149   HG23  VAL  19          HG23      VAL  19  13.543  -7.808   8.184
  150    H    ALA  20           H        ALA  20  12.674  -4.434  10.994
  151    HA   ALA  20           HA       ALA  20  10.186  -3.518  12.011
  152    HB1  ALA  20           HB1      ALA  20  12.946  -2.457  11.844
  153    HB2  ALA  20           HB2      ALA  20  11.853  -2.534  13.226
  154    HB3  ALA  20           HB3      ALA  20  11.678  -1.246  12.034
  155    HA   PRO  21           HA       PRO  21   8.831  -1.885   8.008
  156    HB2  PRO  21           HB2      PRO  21   6.426  -0.838   8.998
  157    HB3  PRO  21           HB3      PRO  21   6.661  -2.439   8.285
  158    HG2  PRO  21           HG3      PRO  21   6.278  -1.694  11.068
  159    HG3  PRO  21           HG2      PRO  21   6.095  -3.266  10.278
  160    HD2  PRO  21           HD3      PRO  21   8.206  -2.482  11.968
  161    HD3  PRO  21           HD2      PRO  21   8.163  -3.931  10.942
  162    H    ALA  22           H        ALA  22   8.742  -0.033  11.013
  163    HA   ALA  22           HA       ALA  22   8.592   2.549   9.685
  164    HB1  ALA  22           HB1      ALA  22   9.410   1.757  12.497
  165    HB2  ALA  22           HB2      ALA  22   7.834   2.365  11.987
  166    HB3  ALA  22           HB3      ALA  22   9.243   3.426  11.951
  167    H    ASP  23           H        ASP  23  11.047   0.246  10.182
  168    HA   ASP  23           HA       ASP  23  13.230   2.235  10.037
  169    HB2  ASP  23           HB3      ASP  23  13.243  -0.783  10.311
  170    HB3  ASP  23           HB2      ASP  23  14.700   0.208  10.230
  171    H    VAL  24           H        VAL  24  11.199   1.087   7.839
  172    HA   VAL  24           HA       VAL  24  13.244   0.379   5.804
  173    HB   VAL  24           HB       VAL  24  10.216   0.413   5.593
  174   HG11  VAL  24          HG11      VAL  24  12.460  -0.293   3.740
  175   HG12  VAL  24          HG12      VAL  24  10.922   0.494   3.387
  176   HG13  VAL  24          HG13      VAL  24  10.978  -1.247   3.662
  177   HG21  VAL  24          HG21      VAL  24  12.199  -1.810   6.159
  178   HG22  VAL  24          HG22      VAL  24  10.527  -2.099   5.678
  179   HG23  VAL  24          HG23      VAL  24  10.878  -1.270   7.194
  180    H    ASP  25           H        ASP  25  13.773   1.792   4.160
  181    HA   ASP  25           HA       ASP  25  13.115   4.569   4.461
  182    HB2  ASP  25           HB3      ASP  25  14.326   3.050   2.132
  183    HB3  ASP  25           HB2      ASP  25  14.228   4.809   2.222
  184    H    VAL  26           H        VAL  26  10.765   4.538   4.473
  185    HA   VAL  26           HA       VAL  26   9.177   3.522   2.328
  186    HB   VAL  26           HB       VAL  26   7.413   4.995   3.181
  187   HG11  VAL  26          HG11      VAL  26   7.790   4.438   5.726
  188   HG12  VAL  26          HG12      VAL  26   9.197   3.560   5.127
  189   HG13  VAL  26          HG13      VAL  26   7.582   3.124   4.568
  190   HG21  VAL  26          HG21      VAL  26   9.719   6.298   4.657
  191   HG22  VAL  26          HG22      VAL  26   8.026   6.573   5.068
  192   HG23  VAL  26          HG23      VAL  26   8.638   7.053   3.485
  193    H    ASP  27           H        ASP  27  11.567   5.712   2.041
  194    HA   ASP  27           HA       ASP  27  10.143   7.502   0.146
  195    HB2  ASP  27           HB3      ASP  27  12.984   7.523   1.214
  196    HB3  ASP  27           HB2      ASP  27  12.352   8.692   0.054
  197    H    LEU  28           H        LEU  28  11.314   4.509   0.000
  198    HA   LEU  28           HA       LEU  28  12.808   4.802  -2.550
  199    HB2  LEU  28           HB3      LEU  28  13.661   3.280  -0.752
  200    HB3  LEU  28           HB2      LEU  28  12.208   2.304  -0.942
  201    HG   LEU  28           HG       LEU  28  12.983   2.394  -3.517
  202   HD11  LEU  28          HD11      LEU  28  15.420   2.235  -3.667
  203   HD12  LEU  28          HD12      LEU  28  15.563   2.510  -1.930
  204   HD13  LEU  28          HD13      LEU  28  14.962   3.794  -2.980
  205   HD21  LEU  28          HD21      LEU  28  12.574   0.319  -2.398
  206   HD22  LEU  28          HD22      LEU  28  13.938   0.562  -1.306
  207   HD23  LEU  28          HD23      LEU  28  14.224   0.220  -3.012
  208    H    ASP  29           H        ASP  29  11.926   4.173  -4.505
  209    HA   ASP  29           HA       ASP  29   9.090   3.892  -4.732
  210    HB2  ASP  29           HB3      ASP  29  11.306   3.141  -6.668
  211    HB3  ASP  29           HB2      ASP  29   9.592   3.164  -7.084
  212    H    LEU  30           H        LEU  30   7.900   2.128  -4.203
  213    HA   LEU  30           HA       LEU  30   9.135  -0.331  -3.388
  214    HB2  LEU  30           HB3      LEU  30   6.796  -1.185  -3.257
  215    HB3  LEU  30           HB2      LEU  30   6.998   0.368  -2.443
  216    HG   LEU  30           HG       LEU  30   6.345   0.691  -5.269
  217   HD11  LEU  30          HD11      LEU  30   4.537  -0.940  -3.483
  218   HD12  LEU  30          HD12      LEU  30   5.031  -1.277  -5.142
  219   HD13  LEU  30          HD13      LEU  30   3.893   0.028  -4.808
  220   HD21  LEU  30          HD21      LEU  30   5.029   1.571  -2.681
  221   HD22  LEU  30          HD22      LEU  30   4.640   2.198  -4.282
  222   HD23  LEU  30          HD23      LEU  30   6.236   2.482  -3.587
  223    H    VAL  31           H        VAL  31   9.053   0.795  -6.414
  224    HA   VAL  31           HA       VAL  31   7.872  -1.190  -8.031
  225    HB   VAL  31           HB       VAL  31   9.068   0.972  -8.762
  226   HG11  VAL  31          HG11      VAL  31  11.206   0.257  -7.546
  227   HG12  VAL  31          HG12      VAL  31  11.414   0.867  -9.188
  228   HG13  VAL  31          HG13      VAL  31  11.466  -0.869  -8.879
  229   HG21  VAL  31          HG21      VAL  31   9.384  -1.693 -10.154
  230   HG22  VAL  31          HG22      VAL  31   9.881  -0.184 -10.920
  231   HG23  VAL  31          HG23      VAL  31   8.193  -0.431 -10.470
  232    H    ASP  32           H        ASP  32  11.008  -1.183  -6.385
  233    HA   ASP  32           HA       ASP  32  12.023  -3.615  -7.470
  234    HB2  ASP  32           HB3      ASP  32  12.374  -2.400  -4.707
  235    HB3  ASP  32           HB2      ASP  32  13.310  -3.768  -5.311
  236    H    ASN  33           H        ASN  33   9.739  -2.912  -4.903
  237    HA   ASN  33           HA       ASN  33   9.420  -5.732  -4.164
  238    HB2  ASN  33           HB3      ASN  33   7.815  -3.297  -3.358
  239    HB3  ASN  33           HB2      ASN  33   7.717  -4.889  -2.610
  240   HD21  ASN  33          HD22      ASN  33   9.364  -1.883  -2.509
  241   HD22  ASN  33          HD21      ASN  33  10.615  -2.342  -1.457
  242    H    GLY  34           H        GLY  34   8.743  -4.387  -6.895
  243    HA2  GLY  34           HA3      GLY  34   6.060  -4.277  -7.494
  244    HA3  GLY  34           HA2      GLY  34   7.227  -5.015  -8.592
  245    H    VAL  35           H        VAL  35   7.712  -6.984  -6.202
  246    HA   VAL  35           HA       VAL  35   6.256  -9.179  -7.205
  247    HB   VAL  35           HB       VAL  35   7.284  -8.611  -4.409
  248   HG11  VAL  35          HG11      VAL  35   7.063 -11.344  -4.611
  249   HG12  VAL  35          HG12      VAL  35   5.600 -10.802  -5.434
  250   HG13  VAL  35          HG13      VAL  35   5.911 -10.306  -3.770
  251   HG21  VAL  35          HG21      VAL  35   9.185  -9.810  -5.051
  252   HG22  VAL  35          HG22      VAL  35   8.778  -8.970  -6.547
  253   HG23  VAL  35          HG23      VAL  35   8.334 -10.664  -6.338
  254    H    ILE  36           H        ILE  36   5.369  -6.760  -4.799
  255    HA   ILE  36           HA       ILE  36   2.884  -7.987  -3.998
  256    HB   ILE  36           HB       ILE  36   4.257  -6.102  -2.841
  257   HG12  ILE  36          HG13      ILE  36   1.242  -5.944  -3.155
  258   HG13  ILE  36          HG12      ILE  36   2.124  -6.917  -1.982
  259   HG21  ILE  36          HG21      ILE  36   3.828  -3.878  -3.510
  260   HG22  ILE  36          HG22      ILE  36   2.437  -4.348  -4.488
  261   HG23  ILE  36          HG23      ILE  36   4.070  -4.725  -5.038
  262   HD11  ILE  36          HD11      ILE  36   2.124  -3.891  -2.135
  263   HD12  ILE  36          HD12      ILE  36   3.074  -4.848  -0.998
  264   HD13  ILE  36          HD13      ILE  36   1.313  -4.871  -0.917
  265    H    ASP  37           H        ASP  37   3.835  -5.989  -6.687
  266    HA   ASP  37           HA       ASP  37   1.338  -4.837  -7.355
  267    HB2  ASP  37           HB3      ASP  37   3.617  -5.682  -9.155
  268    HB3  ASP  37           HB2      ASP  37   2.251  -4.704  -9.682
  269    H    SER  38           H        SER  38   2.524  -8.117  -7.981
  270    HA   SER  38           HA       SER  38  -0.004  -8.634  -9.490
  271    HB2  SER  38           2HB      SER  38   2.756  -9.618  -9.758
  272    HB3  SER  38           1HB      SER  38   1.520 -10.865  -9.882
  273    H    LEU  39           H        LEU  39   2.176 -10.586  -7.421
  274    HA   LEU  39           HA       LEU  39   0.054 -12.356  -6.656
  275    HB2  LEU  39           HB3      LEU  39   2.777 -11.850  -5.474
  276    HB3  LEU  39           HB2      LEU  39   1.695 -13.100  -4.876
  277    HG   LEU  39           HG       LEU  39   1.597 -13.819  -7.403
  278   HD11  LEU  39          HD11      LEU  39   2.826 -11.989  -8.375
  279   HD12  LEU  39          HD12      LEU  39   3.848 -13.420  -8.481
  280   HD13  LEU  39          HD13      LEU  39   4.157 -12.209  -7.239
  281   HD21  LEU  39          HD21      LEU  39   2.527 -15.175  -5.569
  282   HD22  LEU  39          HD22      LEU  39   4.042 -14.280  -5.672
  283   HD23  LEU  39          HD23      LEU  39   3.531 -15.305  -7.013
  284    H    GLY  40           H        GLY  40   1.687  -9.761  -4.840
  285    HA2  GLY  40           HA3      GLY  40  -0.065 -10.005  -2.564
  286    HA3  GLY  40           HA2      GLY  40   1.014  -8.655  -2.886
  287    H    LEU  41           H        LEU  41  -0.046  -7.932  -5.435
  288    HA   LEU  41           HA       LEU  41  -2.123  -6.166  -4.660
  289    HB2  LEU  41           HB3      LEU  41  -0.643  -5.967  -6.709
  290    HB3  LEU  41           HB2      LEU  41  -1.642  -7.204  -7.467
  291    HG   LEU  41           HG       LEU  41  -3.087  -4.895  -6.258
  292   HD11  LEU  41          HD11      LEU  41  -2.647  -3.449  -8.170
  293   HD12  LEU  41          HD12      LEU  41  -1.585  -4.664  -8.882
  294   HD13  LEU  41          HD13      LEU  41  -1.118  -3.850  -7.389
  295   HD21  LEU  41          HD21      LEU  41  -3.310  -6.488  -8.834
  296   HD22  LEU  41          HD22      LEU  41  -4.403  -5.184  -8.376
  297   HD23  LEU  41          HD23      LEU  41  -4.330  -6.652  -7.405
  298    H    LEU  42           H        LEU  42  -2.247  -9.359  -6.196
  299    HA   LEU  42           HA       LEU  42  -5.078  -9.407  -6.628
  300    HB2  LEU  42           HB3      LEU  42  -3.132 -11.074  -7.354
  301    HB3  LEU  42           HB2      LEU  42  -3.618 -11.907  -5.885
  302    HG   LEU  42           HG       LEU  42  -4.899 -12.830  -7.705
  303   HD11  LEU  42          HD11      LEU  42  -6.790 -10.898  -6.371
  304   HD12  LEU  42          HD12      LEU  42  -6.040 -12.215  -5.469
  305   HD13  LEU  42          HD13      LEU  42  -7.083 -12.570  -6.844
  306   HD21  LEU  42          HD21      LEU  42  -4.711 -10.222  -8.727
  307   HD22  LEU  42          HD22      LEU  42  -6.430 -10.488  -8.444
  308   HD23  LEU  42          HD23      LEU  42  -5.524 -11.594  -9.477
  309    H    LYS  43           H        LYS  43  -3.068 -10.463  -3.883
  310    HA   LYS  43           HA       LYS  43  -5.234 -11.416  -2.272
  311    HB2  LYS  43           HB3      LYS  43  -2.523 -10.327  -1.498
  312    HB3  LYS  43           HB2      LYS  43  -3.615 -11.154  -0.395
  313    HG2  LYS  43           HG3      LYS  43  -3.581 -13.138  -1.912
  314    HG3  LYS  43           HG2      LYS  43  -2.383 -12.311  -2.909
  315    HD2  LYS  43           HD3      LYS  43  -0.897 -12.140  -0.907
  316    HD3  LYS  43           HD2      LYS  43  -2.072 -13.089   0.005
  317    HE2  LYS  43           HE3      LYS  43  -0.476 -13.963  -2.414
  318    HE3  LYS  43           HE2      LYS  43  -0.412 -14.634  -0.784
  319    HZ1  LYS  43           HZ1      LYS  43  -1.872 -16.103  -1.591
  320    HZ2  LYS  43           HZ2      LYS  43  -2.305 -15.124  -2.907
  321    HZ3  LYS  43           HZ3      LYS  43  -3.018 -14.865  -1.386
  322    H    VAL  44           H        VAL  44  -3.771  -8.236  -2.713
  323    HA   VAL  44           HA       VAL  44  -4.981  -6.906  -0.512
  324    HB   VAL  44           HB       VAL  44  -4.171  -5.892  -3.245
  325   HG11  VAL  44          HG11      VAL  44  -5.585  -4.586  -1.020
  326   HG12  VAL  44          HG12      VAL  44  -5.406  -4.069  -2.696
  327   HG13  VAL  44          HG13      VAL  44  -4.125  -3.738  -1.530
  328   HG21  VAL  44          HG21      VAL  44  -2.715  -5.048  -0.838
  329   HG22  VAL  44          HG22      VAL  44  -2.092  -5.682  -2.361
  330   HG23  VAL  44          HG23      VAL  44  -2.657  -6.790  -1.111
  331    H    ILE  45           H        ILE  45  -6.182  -7.395  -3.834
  332    HA   ILE  45           HA       ILE  45  -8.553  -5.862  -3.576
  333    HB   ILE  45           HB       ILE  45  -8.113  -8.390  -5.194
  334   HG12  ILE  45          HG13      ILE  45  -6.399  -6.766  -5.749
  335   HG13  ILE  45          HG12      ILE  45  -7.598  -6.753  -7.038
  336   HG21  ILE  45          HG21      ILE  45  -9.865  -7.393  -6.649
  337   HG22  ILE  45          HG22      ILE  45 -10.084  -6.112  -5.456
  338   HG23  ILE  45          HG23      ILE  45 -10.457  -7.784  -5.035
  339   HD11  ILE  45          HD11      ILE  45  -8.703  -4.843  -5.615
  340   HD12  ILE  45          HD12      ILE  45  -7.313  -4.472  -6.634
  341   HD13  ILE  45          HD13      ILE  45  -7.097  -4.704  -4.899
  342    H    ALA  46           H        ALA  46  -7.960  -9.312  -2.893
  343    HA   ALA  46           HA       ALA  46 -10.671  -9.894  -2.137
  344    HB1  ALA  46           HB1      ALA  46  -9.369 -11.786  -2.619
  345    HB2  ALA  46           HB2      ALA  46  -9.458 -11.820  -0.858
  346    HB3  ALA  46           HB3      ALA  46  -8.007 -11.210  -1.657
  347    H    TRP  47           H        TRP  47  -7.798  -8.997  -0.210
  348    HA   TRP  47           HA       TRP  47  -9.246  -9.114   2.301
  349    HB2  TRP  47           HB3      TRP  47  -6.995  -9.311   2.730
  350    HB3  TRP  47           HB2      TRP  47  -6.543  -8.233   1.409
  351    HD1  TRP  47           HD1      TRP  47  -7.636  -8.220   5.058
  352    HE1  TRP  47           HE1      TRP  47  -7.245  -5.864   6.035
  353    HE3  TRP  47           HE3      TRP  47  -6.392  -5.701   0.802
  354    HZ2  TRP  47           HZ2      TRP  47  -6.497  -3.254   5.123
  355    HZ3  TRP  47           HZ3      TRP  47  -5.843  -3.288   0.878
  356    HH2  TRP  47           HH2      TRP  47  -5.894  -2.063   3.029
  357    H    LEU  48           H        LEU  48  -8.311  -6.504   0.076
  358    HA   LEU  48           HA       LEU  48  -9.172  -4.316   1.633
  359    HB2  LEU  48           HB3      LEU  48  -7.923  -4.197  -0.544
  360    HB3  LEU  48           HB2      LEU  48  -9.419  -4.597  -1.374
  361    HG   LEU  48           HG       LEU  48 -10.361  -2.572   0.032
  362   HD11  LEU  48          HD11      LEU  48  -7.398  -2.000  -0.195
  363   HD12  LEU  48          HD12      LEU  48  -8.286  -2.250   1.307
  364   HD13  LEU  48          HD13      LEU  48  -8.621  -0.834   0.309
  365   HD21  LEU  48          HD21      LEU  48  -8.853  -2.707  -2.535
  366   HD22  LEU  48          HD22      LEU  48  -9.233  -1.099  -1.917
  367   HD23  LEU  48          HD23      LEU  48 -10.530  -2.248  -2.245
  368    H    GLU  49           H        GLU  49 -11.023  -6.324  -0.672
  369    HA   GLU  49           HA       GLU  49 -13.502  -4.914  -0.269
  370    HB2  GLU  49           HB3      GLU  49 -13.211  -6.315  -2.233
  371    HB3  GLU  49           HB2      GLU  49 -12.936  -7.734  -1.229
  372    HG2  GLU  49           HG3      GLU  49 -15.220  -7.563  -0.352
  373    HG3  GLU  49           HG2      GLU  49 -15.500  -6.135  -1.337
  374    H    ASP  50           H        ASP  50 -12.060  -7.792   1.225
  375    HA   ASP  50           HA       ASP  50 -14.267  -8.487   2.878
  376    HB2  ASP  50           HB3      ASP  50 -12.190  -9.864   2.489
  377    HB3  ASP  50           HB2      ASP  50 -11.346  -8.773   3.584
  378    H    ARG  51           H        ARG  51 -11.639  -6.167   3.337
  379    HA   ARG  51           HA       ARG  51 -12.545  -5.526   6.053
  380    HB2  ARG  51           HB3      ARG  51 -10.133  -5.532   5.417
  381    HB3  ARG  51           HB2      ARG  51 -10.443  -4.150   4.365
  382    HG2  ARG  51           HG3      ARG  51 -11.255  -2.858   6.310
  383    HG3  ARG  51           HG2      ARG  51 -10.917  -4.235   7.360
  384    HD2  ARG  51           HD3      ARG  51  -8.523  -4.130   6.653
  385    HD3  ARG  51           HD2      ARG  51  -8.893  -2.676   5.727
  386    HE   ARG  51           HE       ARG  51  -8.959  -1.465   7.756
  387   HH11  ARG  51          HH22      ARG  51  -9.121  -4.873   8.252
  388   HH12  ARG  51          HH21      ARG  51  -8.968  -4.764   9.974
  389   HH21  ARG  51          HH11      ARG  51  -8.759  -1.303  10.002
  390   HH22  ARG  51          HH12      ARG  51  -8.764  -2.742  10.964
  391    H    PHE  52           H        PHE  52 -12.382  -3.724   2.931
  392    HA   PHE  52           HA       PHE  52 -14.088  -1.643   4.183
  393    HB2  PHE  52           HB3      PHE  52 -12.462  -1.702   1.639
  394    HB3  PHE  52           HB2      PHE  52 -13.498  -0.357   2.101
  395    HD1  PHE  52           HD2      PHE  52 -13.055   0.860   4.272
  396    HD2  PHE  52           HD1      PHE  52 -10.321  -2.016   2.630
  397    HE1  PHE  52           HE2      PHE  52 -11.252   1.743   5.728
  398    HE2  PHE  52           HE1      PHE  52  -8.517  -1.132   4.084
  399    HZ   PHE  52           HZ       PHE  52  -8.983   0.747   5.634
  400    H    GLY  53           H        GLY  53 -14.485  -4.364   2.175
  401    HA2  GLY  53           HA3      GLY  53 -16.455  -5.103   1.081
  402    HA3  GLY  53           HA2      GLY  53 -17.258  -3.655   1.684
  403    H    ILE  54           H        ILE  54 -14.284  -3.311  -0.094
  404    HA   ILE  54           HA       ILE  54 -15.688  -1.739  -2.127
  405    HB   ILE  54           HB       ILE  54 -12.767  -2.496  -1.847
  406   HG12  ILE  54          HG13      ILE  54 -14.173   0.139  -1.329
  407   HG13  ILE  54          HG12      ILE  54 -13.804  -1.031  -0.064
  408   HG21  ILE  54          HG21      ILE  54 -12.743  -1.879  -4.045
  409   HG22  ILE  54          HG22      ILE  54 -12.840  -0.247  -3.384
  410   HG23  ILE  54          HG23      ILE  54 -14.303  -1.064  -3.935
  411   HD11  ILE  54          HD11      ILE  54 -12.113   0.953  -0.700
  412   HD12  ILE  54          HD12      ILE  54 -11.574  -0.244  -1.877
  413   HD13  ILE  54          HD13      ILE  54 -11.541  -0.624  -0.156
  414    H    ALA  55           H        ALA  55 -15.704  -2.210  -4.381
  415    HA   ALA  55           HA       ALA  55 -16.251  -4.918  -5.066
  416    HB1  ALA  55           HB1      ALA  55 -15.363  -3.030  -7.201
  417    HB2  ALA  55           HB2      ALA  55 -16.794  -2.589  -6.269
  418    HB3  ALA  55           HB3      ALA  55 -16.759  -4.108  -7.165
  419    H    ALA  56           H        ALA  56 -15.030  -6.375  -6.396
  420    HA   ALA  56           HA       ALA  56 -12.295  -6.628  -5.704
  421    HB1  ALA  56           HB1      ALA  56 -12.765  -8.666  -6.532
  422    HB2  ALA  56           HB2      ALA  56 -12.650  -7.980  -8.153
  423    HB3  ALA  56           HB3      ALA  56 -14.210  -8.049  -7.333
  424    H    ASP  57           H        ASP  57 -13.829  -5.037  -8.459
  425    HA   ASP  57           HA       ASP  57 -11.227  -3.779  -9.074
  426    HB2  ASP  57           HB3      ASP  57 -11.355  -5.850 -10.472
  427    HB3  ASP  57           HB2      ASP  57 -12.825  -5.209 -11.202
  428    H    ASP  58           H        ASP  58 -13.036  -2.267  -7.964
  429    HA   ASP  58           HA       ASP  58 -15.154  -1.234  -9.558
  430    HB2  ASP  58           HB3      ASP  58 -14.761  -0.777  -7.100
  431    HB3  ASP  58           HB2      ASP  58 -13.497   0.348  -7.591
  432    H    VAL  59           H        VAL  59 -11.725  -0.405  -9.387
  433    HA   VAL  59           HA       VAL  59 -12.073   1.184 -11.894
  434    HB   VAL  59           HB       VAL  59 -10.400   2.783 -11.085
  435   HG11  VAL  59          HG11      VAL  59 -12.039   2.891  -8.695
  436   HG12  VAL  59          HG12      VAL  59 -13.019   2.486 -10.104
  437   HG13  VAL  59          HG13      VAL  59 -12.050   3.959 -10.099
  438   HG21  VAL  59          HG21      VAL  59 -10.124   0.725  -8.981
  439   HG22  VAL  59          HG22      VAL  59 -10.115   2.387  -8.391
  440   HG23  VAL  59          HG23      VAL  59  -8.933   1.872  -9.595
  441    H    GLU  60           H        GLU  60 -10.017   1.293 -13.171
  442    HA   GLU  60           HA       GLU  60  -8.676  -1.318 -13.104
  443    HB2  GLU  60           HB3      GLU  60  -9.346  -0.241 -15.252
  444    HB3  GLU  60           HB2      GLU  60  -8.186   1.044 -14.937
  445    HG2  GLU  60           HG3      GLU  60  -6.380  -0.641 -14.837
  446    HG3  GLU  60           HG2      GLU  60  -7.550  -1.893 -15.231
  447    H    LEU  61           H        LEU  61  -6.598  -1.688 -12.413
  448    HA   LEU  61           HA       LEU  61  -5.184   0.623 -11.181
  449    HB2  LEU  61           HB3      LEU  61  -4.678  -2.330 -10.737
  450    HB3  LEU  61           HB2      LEU  61  -4.074  -0.987  -9.771
  451    HG   LEU  61           HG       LEU  61  -6.944  -1.880 -10.050
  452   HD11  LEU  61          HD11      LEU  61  -6.765  -2.215  -7.617
  453   HD12  LEU  61          HD12      LEU  61  -5.089  -1.668  -7.662
  454   HD13  LEU  61          HD13      LEU  61  -5.549  -3.167  -8.468
  455   HD21  LEU  61          HD21      LEU  61  -7.130   0.463  -9.985
  456   HD22  LEU  61          HD22      LEU  61  -5.721   0.638  -8.940
  457   HD23  LEU  61          HD23      LEU  61  -7.234   0.014  -8.283
  458    H    SER  62           H        SER  62  -3.039   1.065 -11.740
  459    HA   SER  62           HA       SER  62  -1.860  -0.598 -13.921
  460    HB2  SER  62           HB3      SER  62  -2.658   2.174 -14.002
  461    HB3  SER  62           HB2      SER  62  -0.913   2.051 -14.212
  462    HG   SER  62           HG       SER  62  -1.448   1.543 -16.186
  463    HA   PRO  63           HA       PRO  63   1.881  -0.798 -11.628
  464    HB2  PRO  63           HB2      PRO  63   3.749   0.088 -13.515
  465    HB3  PRO  63           HB3      PRO  63   3.151  -1.571 -13.356
  466    HG2  PRO  63           HG3      PRO  63   2.366   0.549 -15.267
  467    HG3  PRO  63           HG2      PRO  63   2.434  -1.207 -15.485
  468    HD2  PRO  63           HD3      PRO  63   0.087   0.125 -15.162
  469    HD3  PRO  63           HD2      PRO  63   0.324  -1.539 -14.583
  470    H    GLU  64           H        GLU  64   1.244   2.216 -13.319
  471    HA   GLU  64           HA       GLU  64   3.235   3.825 -12.039
  472    HB2  GLU  64           HB3      GLU  64   0.525   4.574 -13.144
  473    HB3  GLU  64           HB2      GLU  64   1.759   5.732 -12.671
  474    HG2  GLU  64           HG3      GLU  64   3.312   4.700 -14.300
  475    HG3  GLU  64           HG2      GLU  64   2.024   3.614 -14.809
  476    H    HIS  65           H        HIS  65   0.070   2.703 -11.051
  477    HA   HIS  65           HA       HIS  65  -0.300   4.520  -8.851
  478    HB2  HIS  65           HB3      HIS  65  -2.168   3.244  -9.762
  479    HB3  HIS  65           HB2      HIS  65  -1.376   1.727  -9.337
  480    HD1  HIS  65           HD1      HIS  65  -0.683   1.737  -6.569
  481    HD2  HIS  65           HD2      HIS  65  -3.991   3.946  -7.825
  482    HE1  HIS  65           HE1      HIS  65  -2.123   2.108  -4.515
  483    HE2  HIS  65           HE2      HIS  65  -4.140   3.441  -5.272
  484    H    PHE  66           H        PHE  66   1.535   1.563  -9.243
  485    HA   PHE  66           HA       PHE  66   2.088   1.519  -6.311
  486    HB2  PHE  66           HB3      PHE  66   2.590  -0.568  -8.452
  487    HB3  PHE  66           HB2      PHE  66   2.969  -0.761  -6.740
  488    HD1  PHE  66           HD1      PHE  66   1.166  -0.870  -5.051
  489    HD2  PHE  66           HD2      PHE  66   0.308  -0.643  -9.255
  490    HE1  PHE  66           HE1      PHE  66  -1.174  -1.564  -4.611
  491    HE2  PHE  66           HE2      PHE  66  -2.031  -1.339  -8.813
  492    HZ   PHE  66           HZ       PHE  66  -2.773  -1.798  -6.492
  493    H    ARG  67           H        ARG  67   3.359   2.962  -8.938
  494    HA   ARG  67           HA       ARG  67   6.084   2.210  -9.008
  495    HB2  ARG  67           HB3      ARG  67   5.015   3.788 -10.611
  496    HB3  ARG  67           HB2      ARG  67   4.944   5.004  -9.341
  497    HG2  ARG  67           HG3      ARG  67   6.904   5.560 -10.519
  498    HG3  ARG  67           HG2      ARG  67   7.507   4.634  -9.151
  499    HD2  ARG  67           HD3      ARG  67   7.645   2.615 -10.542
  500    HD3  ARG  67           HD2      ARG  67   6.966   3.497 -11.909
  501    HE   ARG  67           HE       ARG  67   9.721   3.654 -10.959
  502   HH11  ARG  67          HH22      ARG  67   7.115   5.211 -12.594
  503   HH12  ARG  67          HH21      ARG  67   8.143   6.252 -13.521
  504   HH21  ARG  67          HH11      ARG  67  11.078   5.005 -12.161
  505   HH22  ARG  67          HH12      ARG  67  10.387   6.135 -13.276
  506    H    SER  68           H        SER  68   4.398   4.461  -6.823
  507    HA   SER  68           HA       SER  68   6.740   4.249  -5.000
  508    HB2  SER  68           HB3      SER  68   6.787   6.642  -4.609
  509    HB3  SER  68           HB2      SER  68   6.936   6.364  -6.342
  510    HG   SER  68           HG       SER  68   4.413   6.724  -5.137
  511    H    ILE  69           H        ILE  69   6.190   4.681  -2.764
  512    HA   ILE  69           HA       ILE  69   3.634   3.714  -1.969
  513    HB   ILE  69           HB       ILE  69   5.664   5.323  -0.395
  514   HG12  ILE  69          HG13      ILE  69   5.238   2.335  -0.542
  515   HG13  ILE  69          HG12      ILE  69   6.492   3.192  -1.426
  516   HG21  ILE  69          HG21      ILE  69   4.231   3.465   1.180
  517   HG22  ILE  69          HG22      ILE  69   3.042   4.369   0.243
  518   HG23  ILE  69          HG23      ILE  69   4.183   5.223   1.281
  519   HD11  ILE  69          HD11      ILE  69   7.138   4.161   0.909
  520   HD12  ILE  69          HD12      ILE  69   7.622   2.512   0.513
  521   HD13  ILE  69          HD13      ILE  69   6.217   2.797   1.540
  522    H    ARG  70           H        ARG  70   4.908   6.999  -2.357
  523    HA   ARG  70           HA       ARG  70   2.775   8.393  -1.093
  524    HB2  ARG  70           HB3      ARG  70   4.520   9.222  -3.431
  525    HB3  ARG  70           HB2      ARG  70   3.479  10.317  -2.520
  526    HG2  ARG  70           HG3      ARG  70   4.709   9.684  -0.438
  527    HG3  ARG  70           HG2      ARG  70   5.806   8.714  -1.421
  528    HD2  ARG  70           HD3      ARG  70   5.358  11.704  -1.660
  529    HD3  ARG  70           HD2      ARG  70   6.798  10.913  -1.019
  530    HE   ARG  70           HE       ARG  70   6.237  10.009  -3.704
  531   HH11  ARG  70          HH22      ARG  70   7.474  12.601  -1.796
  532   HH12  ARG  70          HH21      ARG  70   8.531  13.187  -3.037
  533   HH21  ARG  70          HH11      ARG  70   7.610  10.759  -5.336
  534   HH22  ARG  70          HH12      ARG  70   8.608  12.144  -5.041
  535    H    SER  71           H        SER  71   3.111   7.193  -4.430
  536    HA   SER  71           HA       SER  71   0.743   8.427  -5.450
  537    HB2  SER  71           HB3      SER  71   0.921   6.840  -7.265
  538    HB3  SER  71           HB2      SER  71   2.552   7.326  -6.819
  539    HG   SER  71           HG       SER  71   2.762   5.206  -6.744
  540    H    ILE  72           H        ILE  72   1.307   5.373  -3.746
  541    HA   ILE  72           HA       ILE  72  -1.350   4.339  -4.062
  542    HB   ILE  72           HB       ILE  72   0.687   3.823  -1.875
  543   HG12  ILE  72          HG13      ILE  72   0.154   2.316  -4.456
  544   HG13  ILE  72          HG12      ILE  72   1.517   3.405  -4.198
  545   HG21  ILE  72          HG21      ILE  72  -0.858   2.453  -0.999
  546   HG22  ILE  72          HG22      ILE  72  -0.957   1.583  -2.530
  547   HG23  ILE  72          HG23      ILE  72  -2.008   2.967  -2.233
  548   HD11  ILE  72          HD11      ILE  72   1.014   0.693  -3.054
  549   HD12  ILE  72          HD12      ILE  72   1.854   1.865  -2.040
  550   HD13  ILE  72          HD13      ILE  72   2.524   1.415  -3.607
  551    H    ASP  73           H        ASP  73   0.214   6.378  -1.619
  552    HA   ASP  73           HA       ASP  73  -1.855   6.398   0.310
  553    HB2  ASP  73           HB3      ASP  73   0.105   8.569  -0.487
  554    HB3  ASP  73           HB2      ASP  73  -0.901   8.624   0.958
  555    H    ALA  74           H        ALA  74  -1.434   8.343  -2.637
  556    HA   ALA  74           HA       ALA  74  -3.622  10.123  -2.156
  557    HB1  ALA  74           HB1      ALA  74  -1.713   9.806  -4.150
  558    HB2  ALA  74           HB2      ALA  74  -3.019  10.991  -4.157
  559    HB3  ALA  74           HB3      ALA  74  -3.229   9.442  -4.973
  560    H    PHE  75           H        PHE  75  -3.446   6.987  -3.826
  561    HA   PHE  75           HA       PHE  75  -6.186   6.940  -4.660
  562    HB2  PHE  75           HB3      PHE  75  -4.409   5.409  -5.524
  563    HB3  PHE  75           HB2      PHE  75  -4.427   4.583  -3.969
  564    HD1  PHE  75           HD1      PHE  75  -6.419   5.364  -6.991
  565    HD2  PHE  75           HD2      PHE  75  -6.218   3.096  -3.349
  566    HE1  PHE  75           HE1      PHE  75  -8.352   4.000  -7.734
  567    HE2  PHE  75           HE2      PHE  75  -8.152   1.733  -4.092
  568    HZ   PHE  75           HZ       PHE  75  -9.219   2.185  -6.284
  569    H    VAL  76           H        VAL  76  -4.574   5.541  -1.796
  570    HA   VAL  76           HA       VAL  76  -6.955   4.505  -0.609
  571    HB   VAL  76           HB       VAL  76  -4.301   5.360   0.572
  572   HG11  VAL  76          HG11      VAL  76  -6.695   4.008   1.827
  573   HG12  VAL  76          HG12      VAL  76  -5.893   5.488   2.353
  574   HG13  VAL  76          HG13      VAL  76  -5.077   3.934   2.524
  575   HG21  VAL  76          HG21      VAL  76  -4.198   3.446  -0.961
  576   HG22  VAL  76          HG22      VAL  76  -5.521   2.661  -0.098
  577   HG23  VAL  76          HG23      VAL  76  -3.964   2.895   0.698
  578    H    VAL  77           H        VAL  77  -5.292   7.636  -0.301
  579    HA   VAL  77           HA       VAL  77  -6.870   8.713   1.789
  580    HB   VAL  77           HB       VAL  77  -5.470  10.017  -0.555
  581   HG11  VAL  77          HG11      VAL  77  -7.161  11.560   0.136
  582   HG12  VAL  77          HG12      VAL  77  -5.663  12.093   0.899
  583   HG13  VAL  77          HG13      VAL  77  -6.870  11.216   1.840
  584   HG21  VAL  77          HG21      VAL  77  -4.409   8.738   1.604
  585   HG22  VAL  77          HG22      VAL  77  -4.580  10.370   2.252
  586   HG23  VAL  77          HG23      VAL  77  -3.624  10.095   0.795
  587    H    GLY  78           H        GLY  78  -7.358   8.753  -1.739
  588    HA2  GLY  78           HA3      GLY  78  -9.693  10.386  -1.740
  589    HA3  GLY  78           HA2      GLY  78  -9.272   9.231  -3.003
  590    H    ALA  79           H        ALA  79  -9.305   6.869  -1.346
  591    HA   ALA  79           HA       ALA  79 -12.195   6.429  -1.316
  592    HB1  ALA  79           HB1      ALA  79 -11.598   4.111  -0.706
  593    HB2  ALA  79           HB2      ALA  79  -9.917   4.603  -0.496
  594    HB3  ALA  79           HB3      ALA  79 -10.661   4.663  -2.094
  595    H    THR  80           H        THR  80  -9.608   6.287   1.133
  596    HA   THR  80           HA       THR  80 -11.664   6.975   3.183
  597    HB   THR  80           HB       THR  80 -10.845   5.332   4.703
  598    HG1  THR  80           HG1      THR  80  -8.692   5.404   4.466
  599   HG21  THR  80          HG21      THR  80 -10.593   3.728   2.196
  600   HG22  THR  80          HG22      THR  80 -12.108   4.584   2.481
  601   HG23  THR  80          HG23      THR  80 -11.533   3.396   3.651
  602    H    THR  81           H        THR  81 -10.824   8.291   4.894
  603    HA   THR  81           HA       THR  81  -7.969   9.071   4.656
  604    HB   THR  81           HB       THR  81  -9.076  10.741   3.339
  605    HG1  THR  81           HG1      THR  81  -8.403  12.462   4.448
  606   HG21  THR  81          HG21      THR  81 -11.190  10.321   5.314
  607   HG22  THR  81          HG22      THR  81 -11.300  10.938   3.665
  608   HG23  THR  81          HG23      THR  81 -10.897  12.030   4.990
  609    HA   PRO  82           HA       PRO  82  -9.178   8.712   9.059
  610    HB2  PRO  82           HB2      PRO  82  -7.142   7.074   9.828
  611    HB3  PRO  82           HB3      PRO  82  -8.636   6.470   9.088
  612    HG2  PRO  82           HG3      PRO  82  -5.938   6.701   7.947
  613    HG3  PRO  82           HG2      PRO  82  -7.265   5.623   7.502
  614    HD2  PRO  82           HD3      PRO  82  -6.477   8.025   6.166
  615    HD3  PRO  82           HD2      PRO  82  -7.890   7.009   5.808
  616    HA   PRO  83           HA       PRO  83  -6.346  11.869  10.414
  617    HB2  PRO  83           HB2      PRO  83  -6.516  11.537  13.142
  618    HB3  PRO  83           HB3      PRO  83  -7.749  12.354  12.164
  619    HG2  PRO  83           HG3      PRO  83  -7.722   9.591  13.256
  620    HG3  PRO  83           HG2      PRO  83  -9.071  10.726  13.079
  621    HD2  PRO  83           HD3      PRO  83  -8.660   8.632  11.367
  622    HD3  PRO  83           HD2      PRO  83  -9.448  10.146  10.873
  623    H    VAL  84           H        VAL  84  -4.137  11.992  10.756
  624    HA   VAL  84           HA       VAL  84  -2.806   9.688  12.113
  625    HB   VAL  84           HB       VAL  84  -2.647   9.484   9.607
  626   HG11  VAL  84          HG11      VAL  84  -0.929  11.971   9.849
  627   HG12  VAL  84          HG12      VAL  84  -2.579  11.975   9.226
  628   HG13  VAL  84          HG13      VAL  84  -1.316  11.087   8.375
  629   HG21  VAL  84          HG21      VAL  84  -0.931   8.438  10.936
  630   HG22  VAL  84          HG22      VAL  84  -0.136   9.985  11.227
  631   HG23  VAL  84          HG23      VAL  84  -0.116   9.274   9.614
  632    H    GLU  85           H        GLU  85  -1.111  10.299  13.455
  633    HA   GLU  85           HA       GLU  85  -0.905  13.062  14.229
  634    HB2  GLU  85           HB3      GLU  85   0.920  10.706  14.801
  635    HB3  GLU  85           HB2      GLU  85   1.035  12.277  15.595
  636    HG2  GLU  85           HG3      GLU  85  -1.304  12.021  16.394
  637    HG3  GLU  85           HG2      GLU  85  -1.362  10.420  15.655
  638    H    ALA  86           H        ALA  86   1.004  10.985  12.101
  639    HA   ALA  86           HA       ALA  86   1.942  12.926  10.368
  640    HB1  ALA  86           HB1      ALA  86   3.185  14.251  11.756
  641    HB2  ALA  86           HB2      ALA  86   4.399  12.990  11.537
  642    HB3  ALA  86           HB3      ALA  86   3.367  12.982  12.967
  643    H    LYS  87           H        LYS  87   3.584  12.076   8.921
  644    HA   LYS  87           HA       LYS  87   3.699   9.170   8.925
  645    HB2  LYS  87           HB3      LYS  87   3.592  10.589   6.841
  646    HB3  LYS  87           HB2      LYS  87   5.254  11.085   7.165
  647    HG2  LYS  87           HG3      LYS  87   5.960   8.709   7.119
  648    HG3  LYS  87           HG2      LYS  87   4.303   8.236   6.746
  649    HD2  LYS  87           HD3      LYS  87   4.411   9.672   4.695
  650    HD3  LYS  87           HD2      LYS  87   6.114   9.972   5.043
  651    HE2  LYS  87           HE3      LYS  87   4.938   7.712   3.715
  652    HE3  LYS  87           HE2      LYS  87   6.645   8.052   3.998
  653    HZ1  LYS  87           HZ1      LYS  87   6.402   7.111   6.228
  654    HZ2  LYS  87           HZ2      LYS  87   6.031   5.976   5.023
  655    HZ3  LYS  87           HZ3      LYS  87   4.781   6.728   5.893
  656    H    LEU  88           H        LEU  88   5.347   7.886   9.660
  657    HA   LEU  88           HA       LEU  88   7.612   9.241  11.009
  658    HB2  LEU  88           HB3      LEU  88   6.848   6.305  11.007
  659    HB3  LEU  88           HB2      LEU  88   8.014   7.087  12.075
  660    HG   LEU  88           HG       LEU  88   5.035   7.641  11.954
  661   HD11  LEU  88          HD11      LEU  88   4.888   6.043  13.531
  662   HD12  LEU  88          HD12      LEU  88   6.006   6.953  14.547
  663   HD13  LEU  88          HD13      LEU  88   6.623   5.753  13.411
  664   HD21  LEU  88          HD21      LEU  88   5.751   8.997  14.093
  665   HD22  LEU  88          HD22      LEU  88   5.943   9.727  12.499
  666   HD23  LEU  88          HD23      LEU  88   7.335   9.018  13.318
  667    H    GLN  89           H        GLN  89   9.757   8.924  10.383
  668    HA   GLN  89           HA       GLN  89  10.284   8.305   7.644
  669    HB2  GLN  89           HB3      GLN  89  11.745   9.730   9.092
  670    HB3  GLN  89           HB2      GLN  89  12.249   8.277   9.955
  671    HG2  GLN  89           HG3      GLN  89  13.122   7.320   7.863
  672    HG3  GLN  89           HG2      GLN  89  12.596   8.753   6.979
  673   HE21  GLN  89          HE22      GLN  89  15.290   8.239   6.826
  674   HE22  GLN  89          HE21      GLN  89  16.171   9.308   7.806
  675    H1   PN7 101           3HO      SAT  38  -0.661  -5.535 -15.203
  676    H2   PN7 101           1H1      SAT  38   2.534  -5.584 -11.886
  677    H3   PN7 101           2H1      SAT  38   0.998  -5.980 -11.116
  678    H5   PN7 101          3HE1      SAT  38   1.390  -5.786 -14.899
  679    H6   PN7 101          1HE1      SAT  38   2.623  -4.789 -14.126
  680    H7   PN7 101          2HE1      SAT  38   1.223  -4.030 -14.884
  681    H8   PN7 101          2HE2      SAT  38   1.692  -3.091 -12.468
  682    H9   PN7 101          3HE2      SAT  38   0.495  -3.679 -11.314
  683    H10  PN7 101          1HE2      SAT  38  -0.026  -2.997 -12.854
  684    H11  PN7 101           3H       SAT  38  -0.612  -6.562 -13.258
  685    H12  PN7 101           5H       SAT  38  -2.124  -3.083 -12.346
  686    H13  PN7 101           2H6      SAT  38  -4.010  -3.775 -13.795
  687    H14  PN7 101           1H6      SAT  38  -4.464  -4.133 -12.129
  688    H15  PN7 101           1H7      SAT  38  -3.014  -6.115 -13.902
  689    H16  PN7 101           2H7      SAT  38  -4.772  -6.051 -13.773
  690    H17  PN7 101           9H       SAT  38  -1.823  -7.025 -12.056
  691    H18  PN7 101          2H10      SAT  38  -2.762  -8.420  -9.931
  692    H19  PN7 101          1H10      SAT  38  -1.912  -9.258 -11.230
  693    H20  PN7 101          1H11      SAT  38  -4.892  -8.905 -10.873
  694    H21  PN7 101          2H11      SAT  38  -3.982 -10.409 -11.016
  695    H22  PN7 101          2HS1      SAT  38  -5.203  -9.157 -13.325
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1  -3.934  14.414  -2.103
    2    H2   MET   1           H2       MET   1  -2.402  14.687  -2.783
    3    H3   MET   1           H3       MET   1  -2.854  15.485  -1.354
    4    HA   MET   1           HA       MET   1  -2.475  12.557  -1.646
    5    HB2  MET   1           HB3      MET   1  -0.764  14.757  -0.481
    6    HB3  MET   1           HB2      MET   1  -0.553  13.065  -0.034
    7    HG2  MET   1           HG3      MET   1  -0.271  12.490  -2.435
    8    HG3  MET   1           HG2      MET   1  -0.395  14.203  -2.836
    9    HE1  MET   1           HE1      MET   1   0.799  15.931  -1.703
   10    HE2  MET   1           HE2      MET   1   2.537  15.913  -1.415
   11    HE3  MET   1           HE3      MET   1   1.418  15.458  -0.123
   12    H    GLN   2           H        GLN   2  -4.192  11.824  -0.459
   13    HA   GLN   2           HA       GLN   2  -4.748  13.116   2.168
   14    HB2  GLN   2           HB3      GLN   2  -6.653  12.723   0.588
   15    HB3  GLN   2           HB2      GLN   2  -6.339  10.992   0.697
   16    HG2  GLN   2           HG3      GLN   2  -8.075  11.453   2.277
   17    HG3  GLN   2           HG2      GLN   2  -6.601  11.228   3.218
   18   HE21  GLN   2          HE22      GLN   2  -6.265  12.832   4.754
   19   HE22  GLN   2          HE21      GLN   2  -6.840  14.426   4.646
   20    H    HIS   3           H        HIS   3  -3.814  12.173   3.921
   21    HA   HIS   3           HA       HIS   3  -2.740  10.555   5.242
   22    HB2  HIS   3           HB3      HIS   3  -4.690   8.732   3.799
   23    HB3  HIS   3           HB2      HIS   3  -3.835   8.349   5.292
   24    HD1  HIS   3           HD1      HIS   3  -4.175  10.778   6.988
   25    HD2  HIS   3           HD2      HIS   3  -7.268   9.357   4.576
   26    HE1  HIS   3           HE1      HIS   3  -6.327  11.688   7.970
   27    HE2  HIS   3           HE2      HIS   3  -8.215  10.829   6.509
   28    H    ALA   4           H        ALA   4  -1.596  11.165   2.612
   29    HA   ALA   4           HA       ALA   4  -0.761   8.811   1.237
   30    HB1  ALA   4           HB1      ALA   4   1.263  10.359   0.636
   31    HB2  ALA   4           HB2      ALA   4   0.335  11.600   1.477
   32    HB3  ALA   4           HB3      ALA   4  -0.348  10.793   0.064
   33    H    SER   5           H        SER   5   0.489  10.431   4.112
   34    HA   SER   5           HA       SER   5   2.995   9.079   4.261
   35    HB2  SER   5           HB3      SER   5   3.029   9.750   6.589
   36    HB3  SER   5           HB2      SER   5   2.317  11.060   5.650
   37    HG   SER   5           HG       SER   5   1.250   9.627   7.652
   38    H    VAL   6           H        VAL   6  -0.255   8.100   5.233
   39    HA   VAL   6           HA       VAL   6   0.519   5.841   6.811
   40    HB   VAL   6           HB       VAL   6  -1.975   6.393   5.204
   41   HG11  VAL   6          HG11      VAL   6  -1.058   3.966   6.598
   42   HG12  VAL   6          HG12      VAL   6  -2.339   4.157   5.401
   43   HG13  VAL   6          HG13      VAL   6  -2.655   4.520   7.097
   44   HG21  VAL   6          HG21      VAL   6  -2.770   7.405   7.085
   45   HG22  VAL   6          HG22      VAL   6  -1.068   7.539   7.527
   46   HG23  VAL   6          HG23      VAL   6  -2.038   6.203   8.147
   47    H    ILE   7           H        ILE   7  -0.159   6.204   3.351
   48    HA   ILE   7           HA       ILE   7   0.061   3.462   2.643
   49    HB   ILE   7           HB       ILE   7   0.836   5.904   1.021
   50   HG12  ILE   7          HG13      ILE   7  -1.774   4.360   1.076
   51   HG13  ILE   7          HG12      ILE   7  -1.508   5.859   1.968
   52   HG21  ILE   7          HG21      ILE   7   1.707   3.827   0.052
   53   HG22  ILE   7          HG22      ILE   7   0.351   4.411  -0.913
   54   HG23  ILE   7          HG23      ILE   7   0.123   3.068   0.207
   55   HD11  ILE   7          HD11      ILE   7  -1.281   5.515  -1.036
   56   HD12  ILE   7          HD12      ILE   7  -0.958   7.009  -0.156
   57   HD13  ILE   7          HD13      ILE   7  -2.588   6.336  -0.182
   58    H    ALA   8           H        ALA   8   2.546   6.008   2.838
   59    HA   ALA   8           HA       ALA   8   4.730   4.370   1.973
   60    HB1  ALA   8           HB1      ALA   8   4.370   7.009   3.167
   61    HB2  ALA   8           HB2      ALA   8   5.609   6.451   2.042
   62    HB3  ALA   8           HB3      ALA   8   5.813   6.197   3.776
   63    H    GLN   9           H        GLN   9   3.540   5.171   5.233
   64    HA   GLN   9           HA       GLN   9   5.462   3.492   6.561
   65    HB2  GLN   9           HB3      GLN   9   4.545   4.276   8.491
   66    HB3  GLN   9           HB2      GLN   9   3.783   5.440   7.414
   67    HG2  GLN   9           HG3      GLN   9   1.999   4.606   8.709
   68    HG3  GLN   9           HG2      GLN   9   1.884   3.704   7.205
   69   HE21  GLN   9          HE22      GLN   9   1.044   1.718   8.016
   70   HE22  GLN   9          HE21      GLN   9   1.860   0.755   9.150
   71    H    PHE  10           H        PHE  10   2.231   2.935   5.277
   72    HA   PHE  10           HA       PHE  10   1.716   0.446   6.549
   73    HB2  PHE  10           HB3      PHE  10   0.118   1.828   5.129
   74    HB3  PHE  10           HB2      PHE  10   0.932   1.164   3.714
   75    HD1  PHE  10           HD1      PHE  10  -1.197   0.396   6.624
   76    HD2  PHE  10           HD2      PHE  10   0.672  -1.177   3.091
   77    HE1  PHE  10           HE1      PHE  10  -2.609  -1.635   6.784
   78    HE2  PHE  10           HE2      PHE  10  -0.740  -3.211   3.252
   79    HZ   PHE  10           HZ       PHE  10  -2.383  -3.437   5.097
   80    H    VAL  11           H        VAL  11   3.189   1.075   3.350
   81    HA   VAL  11           HA       VAL  11   3.908  -1.713   2.988
   82    HB   VAL  11           HB       VAL  11   5.099  -0.894   0.995
   83   HG11  VAL  11          HG11      VAL  11   2.735   0.788   0.737
   84   HG12  VAL  11          HG12      VAL  11   2.361  -0.749   1.517
   85   HG13  VAL  11          HG13      VAL  11   3.119  -0.729  -0.076
   86   HG21  VAL  11          HG21      VAL  11   6.094   1.140   1.592
   87   HG22  VAL  11          HG22      VAL  11   4.625   1.743   2.357
   88   HG23  VAL  11          HG23      VAL  11   4.738   1.675   0.600
   89    H    VAL  12           H        VAL  12   5.765   1.237   3.788
   90    HA   VAL  12           HA       VAL  12   8.315  -0.029   3.913
   91    HB   VAL  12           HB       VAL  12   7.254   2.439   5.279
   92   HG11  VAL  12          HG11      VAL  12   9.991   1.180   5.260
   93   HG12  VAL  12          HG12      VAL  12   9.091   1.836   6.628
   94   HG13  VAL  12          HG13      VAL  12   9.800   2.925   5.435
   95   HG21  VAL  12          HG21      VAL  12   8.995   1.966   2.842
   96   HG22  VAL  12          HG22      VAL  12   8.652   3.554   3.528
   97   HG23  VAL  12          HG23      VAL  12   7.345   2.587   2.844
   98    H    GLU  13           H        GLU  13   5.864   0.459   6.435
   99    HA   GLU  13           HA       GLU  13   7.433  -0.396   8.637
  100    HB2  GLU  13           HB3      GLU  13   5.175   0.632   8.838
  101    HB3  GLU  13           HB2      GLU  13   4.476  -0.865   8.231
  102    HG2  GLU  13           HG3      GLU  13   5.554  -2.083  10.130
  103    HG3  GLU  13           HG2      GLU  13   6.090  -0.526  10.759
  104    H    GLU  14           H        GLU  14   5.683  -2.233   6.198
  105    HA   GLU  14           HA       GLU  14   5.901  -4.788   7.482
  106    HB2  GLU  14           HB3      GLU  14   4.360  -4.271   5.585
  107    HB3  GLU  14           HB2      GLU  14   5.759  -4.202   4.514
  108    HG2  GLU  14           HG3      GLU  14   6.330  -6.538   5.167
  109    HG3  GLU  14           HG2      GLU  14   4.856  -6.599   6.133
  110    H    PHE  15           H        PHE  15   8.046  -3.058   5.236
  111    HA   PHE  15           HA       PHE  15   9.898  -5.362   5.211
  112    HB2  PHE  15           HB3      PHE  15  10.261  -2.663   3.893
  113    HB3  PHE  15           HB2      PHE  15  11.106  -4.163   3.513
  114    HD1  PHE  15           HD1      PHE  15   9.634  -6.187   2.788
  115    HD2  PHE  15           HD2      PHE  15   8.299  -2.107   2.761
  116    HE1  PHE  15           HE1      PHE  15   7.823  -6.789   1.206
  117    HE2  PHE  15           HE2      PHE  15   6.487  -2.705   1.182
  118    HZ   PHE  15           HZ       PHE  15   6.251  -5.049   0.401
  119    H    LEU  16           H        LEU  16  10.217  -1.857   5.936
  120    HA   LEU  16           HA       LEU  16  12.331  -2.611   7.919
  121    HB2  LEU  16           HB3      LEU  16  12.565  -1.011   5.583
  122    HB3  LEU  16           HB2      LEU  16  12.696   0.075   6.963
  123    HG   LEU  16           HG       LEU  16  14.416  -1.409   7.953
  124   HD11  LEU  16          HD11      LEU  16  14.544  -3.537   7.229
  125   HD12  LEU  16          HD12      LEU  16  15.166  -2.941   5.690
  126   HD13  LEU  16          HD13      LEU  16  13.433  -3.186   5.906
  127   HD21  LEU  16          HD21      LEU  16  15.821  -1.154   5.508
  128   HD22  LEU  16          HD22      LEU  16  15.813  -0.020   6.858
  129   HD23  LEU  16          HD23      LEU  16  14.652   0.165   5.544
  130    HA   PRO  17           HA       PRO  17   9.189  -0.130  10.155
  131    HB2  PRO  17           HB2      PRO  17   8.824  -1.955  12.189
  132    HB3  PRO  17           HB3      PRO  17   7.880  -1.922  10.691
  133    HG2  PRO  17           HG3      PRO  17   9.847  -3.848  11.566
  134    HG3  PRO  17           HG2      PRO  17   8.712  -3.937  10.217
  135    HD2  PRO  17           HD3      PRO  17  11.556  -3.322  10.148
  136    HD3  PRO  17           HD2      PRO  17  10.446  -3.595   8.788
  137    H    ASP  18           H        ASP  18  12.204  -1.605  11.096
  138    HA   ASP  18           HA       ASP  18  12.344  -0.326  13.710
  139    HB2  ASP  18           HB3      ASP  18  14.662  -1.112  13.713
  140    HB3  ASP  18           HB2      ASP  18  13.603  -2.405  13.158
  141    H    VAL  19           H        VAL  19  12.449   0.823  10.617
  142    HA   VAL  19           HA       VAL  19  14.216   3.119  11.362
  143    HB   VAL  19           HB       VAL  19  13.426   2.162   8.588
  144   HG11  VAL  19          HG11      VAL  19  15.436   4.244   9.502
  145   HG12  VAL  19          HG12      VAL  19  13.867   4.596   8.777
  146   HG13  VAL  19          HG13      VAL  19  15.113   3.782   7.831
  147   HG21  VAL  19          HG21      VAL  19  15.557   1.366  10.428
  148   HG22  VAL  19          HG22      VAL  19  16.187   1.958   8.891
  149   HG23  VAL  19          HG23      VAL  19  15.046   0.614   8.917
  150    H    ALA  20           H        ALA  20  13.274   5.212  11.158
  151    HA   ALA  20           HA       ALA  20  10.453   5.376  11.435
  152    HB1  ALA  20           HB1      ALA  20  12.683   7.275  11.092
  153    HB2  ALA  20           HB2      ALA  20  11.314   7.337  12.202
  154    HB3  ALA  20           HB3      ALA  20  11.119   7.870  10.532
  155    HA   PRO  21           HA       PRO  21   9.644   4.680   7.022
  156    HB2  PRO  21           HB2      PRO  21   6.852   5.108   7.368
  157    HB3  PRO  21           HB3      PRO  21   7.697   3.560   7.223
  158    HG2  PRO  21           HG3      PRO  21   6.504   4.741   9.539
  159    HG3  PRO  21           HG2      PRO  21   7.246   3.148   9.359
  160    HD2  PRO  21           HD3      PRO  21   8.290   5.422  10.749
  161    HD3  PRO  21           HD2      PRO  21   9.052   3.835  10.529
  162    H    ALA  22           H        ALA  22   8.312   7.354   8.905
  163    HA   ALA  22           HA       ALA  22   7.627   8.976   6.599
  164    HB1  ALA  22           HB1      ALA  22   7.689  10.846   8.384
  165    HB2  ALA  22           HB2      ALA  22   7.998   9.551   9.542
  166    HB3  ALA  22           HB3      ALA  22   6.503   9.559   8.606
  167    H    ASP  23           H        ASP  23  10.541   8.142   8.156
  168    HA   ASP  23           HA       ASP  23  11.978  10.559   7.247
  169    HB2  ASP  23           HB3      ASP  23  12.901   8.079   8.732
  170    HB3  ASP  23           HB2      ASP  23  13.954   9.429   8.306
  171    H    VAL  24           H        VAL  24  10.862   7.877   5.786
  172    HA   VAL  24           HA       VAL  24  13.299   7.435   4.131
  173    HB   VAL  24           HB       VAL  24  10.678   5.902   4.158
  174   HG11  VAL  24          HG11      VAL  24  13.380   5.346   2.897
  175   HG12  VAL  24          HG12      VAL  24  11.878   5.697   2.043
  176   HG13  VAL  24          HG13      VAL  24  12.045   4.195   2.951
  177   HG21  VAL  24          HG21      VAL  24  13.293   5.533   5.618
  178   HG22  VAL  24          HG22      VAL  24  12.254   4.154   5.262
  179   HG23  VAL  24          HG23      VAL  24  11.654   5.473   6.266
  180    H    ASP  25           H        ASP  25  13.317   8.092   1.993
  181    HA   ASP  25           HA       ASP  25  11.502  10.100   1.134
  182    HB2  ASP  25           HB3      ASP  25  13.343   8.306  -0.477
  183    HB3  ASP  25           HB2      ASP  25  12.506   9.713  -1.134
  184    H    VAL  26           H        VAL  26   9.341   9.448   1.228
  185    HA   VAL  26           HA       VAL  26   8.329   6.946   0.290
  186    HB   VAL  26           HB       VAL  26   6.140   8.017   0.324
  187   HG11  VAL  26          HG11      VAL  26   7.534   7.609   2.483
  188   HG12  VAL  26          HG12      VAL  26   6.096   8.622   2.600
  189   HG13  VAL  26          HG13      VAL  26   7.694   9.364   2.528
  190   HG21  VAL  26          HG21      VAL  26   7.823  10.477   0.047
  191   HG22  VAL  26          HG22      VAL  26   6.313  10.604   0.949
  192   HG23  VAL  26          HG23      VAL  26   6.294  10.074  -0.733
  193    H    ASP  27           H        ASP  27   9.983   9.103  -1.485
  194    HA   ASP  27           HA       ASP  27   8.277   9.030  -3.894
  195    HB2  ASP  27           HB3      ASP  27  11.035  10.189  -3.381
  196    HB3  ASP  27           HB2      ASP  27  10.184  10.299  -4.922
  197    H    LEU  28           H        LEU  28   9.944   6.757  -2.415
  198    HA   LEU  28           HA       LEU  28  11.634   5.796  -4.614
  199    HB2  LEU  28           HB3      LEU  28  12.216   5.416  -2.211
  200    HB3  LEU  28           HB2      LEU  28  10.800   4.380  -2.070
  201    HG   LEU  28           HG       LEU  28  11.728   2.988  -3.959
  202   HD11  LEU  28          HD11      LEU  28  13.932   4.998  -3.634
  203   HD12  LEU  28          HD12      LEU  28  13.277   4.286  -5.108
  204   HD13  LEU  28          HD13      LEU  28  14.349   3.342  -4.074
  205   HD21  LEU  28          HD21      LEU  28  12.174   1.852  -2.029
  206   HD22  LEU  28          HD22      LEU  28  12.854   3.273  -1.235
  207   HD23  LEU  28          HD23      LEU  28  13.838   2.335  -2.359
  208    H    ASP  29           H        ASP  29  11.016   4.346  -6.149
  209    HA   ASP  29           HA       ASP  29   8.239   3.742  -6.496
  210    HB2  ASP  29           HB3      ASP  29  10.711   2.531  -7.768
  211    HB3  ASP  29           HB2      ASP  29   9.063   2.193  -8.297
  212    H    LEU  30           H        LEU  30   7.078   2.216  -5.440
  213    HA   LEU  30           HA       LEU  30   8.270   0.411  -3.576
  214    HB2  LEU  30           HB3      LEU  30   5.536   0.222  -4.888
  215    HB3  LEU  30           HB2      LEU  30   6.038  -0.627  -3.425
  216    HG   LEU  30           HG       LEU  30   5.860   2.381  -3.768
  217   HD11  LEU  30          HD11      LEU  30   4.015   0.302  -2.846
  218   HD12  LEU  30          HD12      LEU  30   3.691   1.989  -3.246
  219   HD13  LEU  30          HD13      LEU  30   4.275   1.561  -1.638
  220   HD21  LEU  30          HD21      LEU  30   7.028   0.596  -1.668
  221   HD22  LEU  30          HD22      LEU  30   6.181   2.048  -1.137
  222   HD23  LEU  30          HD23      LEU  30   7.570   2.183  -2.215
  223    H    VAL  31           H        VAL  31   8.356   0.322  -6.907
  224    HA   VAL  31           HA       VAL  31   7.826  -2.332  -7.621
  225    HB   VAL  31           HB       VAL  31  10.066  -0.502  -8.526
  226   HG11  VAL  31          HG11      VAL  31  10.968  -2.446  -9.322
  227   HG12  VAL  31          HG12      VAL  31   9.736  -2.260 -10.569
  228   HG13  VAL  31          HG13      VAL  31   9.444  -3.323  -9.193
  229   HG21  VAL  31          HG21      VAL  31   8.538   0.378  -9.930
  230   HG22  VAL  31          HG22      VAL  31   7.313  -0.451  -8.969
  231   HG23  VAL  31          HG23      VAL  31   7.966  -1.218 -10.418
  232    H    ASP  32           H        ASP  32  10.742  -0.978  -6.116
  233    HA   ASP  32           HA       ASP  32  12.259  -3.384  -5.982
  234    HB2  ASP  32           HB3      ASP  32  12.121  -1.044  -4.046
  235    HB3  ASP  32           HB2      ASP  32  13.334  -2.322  -3.966
  236    H    ASN  33           H        ASN  33   9.628  -2.097  -4.067
  237    HA   ASN  33           HA       ASN  33   9.700  -4.278  -2.114
  238    HB2  ASN  33           HB3      ASN  33   7.626  -2.129  -2.611
  239    HB3  ASN  33           HB2      ASN  33   7.643  -3.228  -1.235
  240   HD21  ASN  33          HD22      ASN  33  10.844  -2.573  -1.984
  241   HD22  ASN  33          HD21      ASN  33  11.112  -1.286  -0.912
  242    H    GLY  34           H        GLY  34   9.209  -4.518  -5.170
  243    HA2  GLY  34           HA3      GLY  34   6.675  -5.257  -5.915
  244    HA3  GLY  34           HA2      GLY  34   8.090  -6.174  -6.429
  245    H    VAL  35           H        VAL  35   8.455  -6.667  -3.354
  246    HA   VAL  35           HA       VAL  35   7.486  -9.309  -3.257
  247    HB   VAL  35           HB       VAL  35   7.904  -7.305  -1.013
  248   HG11  VAL  35          HG11      VAL  35   7.988  -9.351   0.448
  249   HG12  VAL  35          HG12      VAL  35   7.373 -10.287  -0.915
  250   HG13  VAL  35          HG13      VAL  35   6.386  -9.009  -0.205
  251   HG21  VAL  35          HG21      VAL  35   9.674  -9.649  -1.356
  252   HG22  VAL  35          HG22      VAL  35  10.084  -7.971  -0.999
  253   HG23  VAL  35          HG23      VAL  35   9.752  -8.464  -2.660
  254    H    ILE  36           H        ILE  36   5.962  -6.251  -2.352
  255    HA   ILE  36           HA       ILE  36   3.496  -7.438  -1.423
  256    HB   ILE  36           HB       ILE  36   4.405  -5.073  -0.926
  257   HG12  ILE  36          HG13      ILE  36   1.537  -5.307  -1.880
  258   HG13  ILE  36          HG12      ILE  36   2.122  -5.906  -0.330
  259   HG21  ILE  36          HG21      ILE  36   2.859  -4.176  -3.304
  260   HG22  ILE  36          HG22      ILE  36   4.486  -4.793  -3.596
  261   HG23  ILE  36          HG23      ILE  36   4.243  -3.421  -2.514
  262   HD11  ILE  36          HD11      ILE  36   1.729  -3.855   0.515
  263   HD12  ILE  36          HD12      ILE  36   1.417  -3.195  -1.091
  264   HD13  ILE  36          HD13      ILE  36   3.068  -3.273  -0.475
  265    H    ASP  37           H        ASP  37   4.851  -6.758  -4.490
  266    HA   ASP  37           HA       ASP  37   2.990  -6.116  -6.307
  267    HB2  ASP  37           HB3      ASP  37   5.163  -7.016  -6.970
  268    HB3  ASP  37           HB2      ASP  37   4.659  -8.636  -6.484
  269    H    SER  38           H        SER  38   3.164  -9.618  -5.668
  270    HA   SER  38           HA       SER  38   0.186  -9.642  -5.982
  271    HB2  SER  38           2HB      SER  38   2.055 -11.946  -6.523
  272    HB3  SER  38           1HB      SER  38   0.362 -11.800  -6.986
  273    H    LEU  39           H        LEU  39   2.841 -11.081  -4.077
  274    HA   LEU  39           HA       LEU  39   1.108 -12.789  -2.553
  275    HB2  LEU  39           HB3      LEU  39   3.822 -11.623  -1.956
  276    HB3  LEU  39           HB2      LEU  39   3.014 -12.751  -0.877
  277    HG   LEU  39           HG       LEU  39   2.779 -14.217  -3.043
  278   HD11  LEU  39          HD11      LEU  39   3.590 -12.630  -4.668
  279   HD12  LEU  39          HD12      LEU  39   4.808 -13.894  -4.513
  280   HD13  LEU  39          HD13      LEU  39   5.052 -12.335  -3.728
  281   HD21  LEU  39          HD21      LEU  39   4.104 -14.804  -1.045
  282   HD22  LEU  39          HD22      LEU  39   5.440 -13.822  -1.646
  283   HD23  LEU  39          HD23      LEU  39   4.946 -15.269  -2.524
  284    H    GLY  40           H        GLY  40   2.565  -9.646  -1.698
  285    HA2  GLY  40           HA3      GLY  40   0.929  -9.398   0.681
  286    HA3  GLY  40           HA2      GLY  40   1.929  -8.133  -0.007
  287    H    LEU  41           H        LEU  41   0.762  -8.038  -2.609
  288    HA   LEU  41           HA       LEU  41  -1.385  -6.246  -2.178
  289    HB2  LEU  41           HB3      LEU  41  -0.060  -6.395  -4.293
  290    HB3  LEU  41           HB2      LEU  41  -0.877  -7.911  -4.663
  291    HG   LEU  41           HG       LEU  41  -3.075  -6.589  -4.422
  292   HD11  LEU  41          HD11      LEU  41  -1.239  -4.557  -3.696
  293   HD12  LEU  41          HD12      LEU  41  -2.980  -4.400  -3.922
  294   HD13  LEU  41          HD13      LEU  41  -1.886  -4.108  -5.273
  295   HD21  LEU  41          HD21      LEU  41  -2.792  -5.622  -6.748
  296   HD22  LEU  41          HD22      LEU  41  -2.333  -7.318  -6.590
  297   HD23  LEU  41          HD23      LEU  41  -1.089  -6.069  -6.647
  298    H    LEU  42           H        LEU  42  -1.475  -9.697  -3.082
  299    HA   LEU  42           HA       LEU  42  -4.339  -9.867  -3.162
  300    HB2  LEU  42           HB3      LEU  42  -2.748 -11.604  -4.070
  301    HB3  LEU  42           HB2      LEU  42  -2.401 -12.074  -2.411
  302    HG   LEU  42           HG       LEU  42  -5.019 -12.247  -2.218
  303   HD11  LEU  42          HD11      LEU  42  -4.907 -11.381  -4.775
  304   HD12  LEU  42          HD12      LEU  42  -6.214 -12.393  -4.161
  305   HD13  LEU  42          HD13      LEU  42  -4.874 -13.122  -5.047
  306   HD21  LEU  42          HD21      LEU  42  -3.035 -14.160  -3.405
  307   HD22  LEU  42          HD22      LEU  42  -4.734 -14.630  -3.345
  308   HD23  LEU  42          HD23      LEU  42  -3.874 -14.242  -1.855
  309    H    LYS  43           H        LYS  43  -1.949 -10.316  -0.599
  310    HA   LYS  43           HA       LYS  43  -3.732 -11.179   1.457
  311    HB2  LYS  43           HB3      LYS  43  -1.232 -11.284   1.557
  312    HB3  LYS  43           HB2      LYS  43  -1.214  -9.535   1.754
  313    HG2  LYS  43           HG3      LYS  43  -2.562  -9.740   3.807
  314    HG3  LYS  43           HG2      LYS  43  -2.590 -11.493   3.610
  315    HD2  LYS  43           HD3      LYS  43  -0.827 -11.037   5.164
  316    HD3  LYS  43           HD2      LYS  43  -0.044 -11.416   3.630
  317    HE2  LYS  43           HE3      LYS  43   0.503  -9.169   3.208
  318    HE3  LYS  43           HE2      LYS  43  -0.701  -8.563   4.345
  319    HZ1  LYS  43           HZ1      LYS  43   1.047 -10.227   5.745
  320    HZ2  LYS  43           HZ2      LYS  43   0.844  -8.551   5.907
  321    HZ3  LYS  43           HZ3      LYS  43   1.995  -9.164   4.818
  322    H    VAL  44           H        VAL  44  -2.724  -7.958   0.376
  323    HA   VAL  44           HA       VAL  44  -3.909  -6.448   2.468
  324    HB   VAL  44           HB       VAL  44  -3.413  -5.776  -0.439
  325   HG11  VAL  44          HG11      VAL  44  -4.813  -4.032  -0.044
  326   HG12  VAL  44          HG12      VAL  44  -3.491  -3.394   0.933
  327   HG13  VAL  44          HG13      VAL  44  -4.798  -4.297   1.699
  328   HG21  VAL  44          HG21      VAL  44  -1.902  -4.451   1.711
  329   HG22  VAL  44          HG22      VAL  44  -1.317  -5.206   0.228
  330   HG23  VAL  44          HG23      VAL  44  -1.657  -6.196   1.647
  331    H    ILE  45           H        ILE  45  -5.291  -7.485  -0.659
  332    HA   ILE  45           HA       ILE  45  -7.791  -6.180  -0.352
  333    HB   ILE  45           HB       ILE  45  -7.241  -8.823  -1.734
  334   HG12  ILE  45          HG13      ILE  45  -5.686  -7.168  -2.580
  335   HG13  ILE  45          HG12      ILE  45  -6.972  -7.355  -3.769
  336   HG21  ILE  45          HG21      ILE  45  -9.566  -7.105  -1.443
  337   HG22  ILE  45          HG22      ILE  45  -9.453  -8.727  -2.125
  338   HG23  ILE  45          HG23      ILE  45  -9.125  -7.321  -3.136
  339   HD11  ILE  45          HD11      ILE  45  -8.105  -5.383  -2.471
  340   HD12  ILE  45          HD12      ILE  45  -6.797  -5.027  -3.599
  341   HD13  ILE  45          HD13      ILE  45  -6.476  -5.080  -1.866
  342    H    ALA  46           H        ALA  46  -6.776  -9.466   0.601
  343    HA   ALA  46           HA       ALA  46  -9.330 -10.236   1.662
  344    HB1  ALA  46           HB1      ALA  46  -7.773 -11.839   3.046
  345    HB2  ALA  46           HB2      ALA  46  -6.504 -11.200   2.000
  346    HB3  ALA  46           HB3      ALA  46  -7.888 -12.039   1.298
  347    H    TRP  47           H        TRP  47  -6.434  -8.828   3.195
  348    HA   TRP  47           HA       TRP  47  -7.608  -8.782   5.839
  349    HB2  TRP  47           HB3      TRP  47  -5.308  -8.645   5.987
  350    HB3  TRP  47           HB2      TRP  47  -5.169  -7.651   4.538
  351    HD1  TRP  47           HD1      TRP  47  -5.927  -7.423   8.276
  352    HE1  TRP  47           HE1      TRP  47  -5.730  -4.957   9.005
  353    HE3  TRP  47           HE3      TRP  47  -5.336  -5.207   3.722
  354    HZ2  TRP  47           HZ2      TRP  47  -5.365  -2.381   7.805
  355    HZ3  TRP  47           HZ3      TRP  47  -5.062  -2.754   3.537
  356    HH2  TRP  47           HH2      TRP  47  -5.076  -1.341   5.569
  357    H    LEU  48           H        LEU  48  -7.336  -6.434   3.196
  358    HA   LEU  48           HA       LEU  48  -8.351  -4.171   4.566
  359    HB2  LEU  48           HB3      LEU  48  -7.337  -4.185   2.264
  360    HB3  LEU  48           HB2      LEU  48  -8.828  -4.895   1.662
  361    HG   LEU  48           HG       LEU  48  -9.922  -2.844   2.916
  362   HD11  LEU  48          HD11      LEU  48  -7.400  -2.330   3.604
  363   HD12  LEU  48          HD12      LEU  48  -8.551  -1.028   3.296
  364   HD13  LEU  48          HD13      LEU  48  -7.404  -1.508   2.046
  365   HD21  LEU  48          HD21      LEU  48 -10.241  -3.092   0.575
  366   HD22  LEU  48          HD22      LEU  48  -8.523  -2.884   0.240
  367   HD23  LEU  48          HD23      LEU  48  -9.496  -1.503   0.748
  368    H    GLU  49           H        GLU  49 -10.050  -6.765   2.805
  369    HA   GLU  49           HA       GLU  49 -12.683  -5.685   3.168
  370    HB2  GLU  49           HB3      GLU  49 -12.247  -7.452   1.531
  371    HB3  GLU  49           HB2      GLU  49 -11.765  -8.555   2.813
  372    HG2  GLU  49           HG3      GLU  49 -14.029  -8.422   3.772
  373    HG3  GLU  49           HG2      GLU  49 -14.513  -7.340   2.475
  374    H    ASP  50           H        ASP  50 -10.725  -7.941   5.087
  375    HA   ASP  50           HA       ASP  50 -12.722  -8.494   7.056
  376    HB2  ASP  50           HB3      ASP  50 -10.595  -9.784   6.715
  377    HB3  ASP  50           HB2      ASP  50  -9.730  -8.437   7.452
  378    H    ARG  51           H        ARG  51 -10.270  -5.956   6.802
  379    HA   ARG  51           HA       ARG  51 -10.972  -4.879   9.439
  380    HB2  ARG  51           HB3      ARG  51  -8.638  -4.858   8.521
  381    HB3  ARG  51           HB2      ARG  51  -9.172  -3.673   7.328
  382    HG2  ARG  51           HG3      ARG  51  -9.882  -2.165   9.163
  383    HG3  ARG  51           HG2      ARG  51  -9.295  -3.339  10.340
  384    HD2  ARG  51           HD3      ARG  51  -7.023  -3.169   9.280
  385    HD3  ARG  51           HD2      ARG  51  -7.644  -1.865   8.270
  386    HE   ARG  51           HE       ARG  51  -6.852  -1.611  11.029
  387   HH11  ARG  51          HH22      ARG  51  -9.176  -0.625   8.678
  388   HH12  ARG  51          HH21      ARG  51  -9.500   0.894   9.443
  389   HH21  ARG  51          HH11      ARG  51  -7.262   0.368  12.038
  390   HH22  ARG  51          HH12      ARG  51  -8.417   1.456  11.344
  391    H    PHE  52           H        PHE  52 -11.280  -3.698   6.044
  392    HA   PHE  52           HA       PHE  52 -12.979  -1.502   7.087
  393    HB2  PHE  52           HB3      PHE  52 -11.739  -1.981   4.368
  394    HB3  PHE  52           HB2      PHE  52 -12.710  -0.575   4.795
  395    HD1  PHE  52           HD1      PHE  52 -11.935   0.969   6.625
  396    HD2  PHE  52           HD2      PHE  52  -9.463  -2.174   5.057
  397    HE1  PHE  52           HE1      PHE  52  -9.935   2.043   7.623
  398    HE2  PHE  52           HE2      PHE  52  -7.463  -1.099   6.052
  399    HZ   PHE  52           HZ       PHE  52  -7.699   1.009   7.336
  400    H    GLY  53           H        GLY  53 -13.444  -4.593   5.812
  401    HA2  GLY  53           HA3      GLY  53 -15.459  -5.635   5.145
  402    HA3  GLY  53           HA2      GLY  53 -16.287  -4.130   5.538
  403    H    ILE  54           H        ILE  54 -13.590  -4.084   3.315
  404    HA   ILE  54           HA       ILE  54 -15.434  -3.150   1.203
  405    HB   ILE  54           HB       ILE  54 -12.409  -3.354   1.244
  406   HG12  ILE  54          HG13      ILE  54 -14.203  -0.926   1.534
  407   HG13  ILE  54          HG12      ILE  54 -13.470  -1.768   2.899
  408   HG21  ILE  54          HG21      ILE  54 -13.223  -1.420  -0.592
  409   HG22  ILE  54          HG22      ILE  54 -14.351  -2.751  -0.850
  410   HG23  ILE  54          HG23      ILE  54 -12.615  -3.029  -0.983
  411   HD11  ILE  54          HD11      ILE  54 -12.233   0.296   1.868
  412   HD12  ILE  54          HD12      ILE  54 -11.751  -0.844   0.612
  413   HD13  ILE  54          HD13      ILE  54 -11.301  -1.139   2.291
  414    H    ALA  55           H        ALA  55 -15.849  -4.267  -0.681
  415    HA   ALA  55           HA       ALA  55 -15.611  -7.102  -0.706
  416    HB1  ALA  55           HB1      ALA  55 -17.279  -5.706  -2.010
  417    HB2  ALA  55           HB2      ALA  55 -16.518  -7.004  -2.931
  418    HB3  ALA  55           HB3      ALA  55 -15.976  -5.339  -3.141
  419    H    ALA  56           H        ALA  56 -14.348  -8.437  -2.182
  420    HA   ALA  56           HA       ALA  56 -11.583  -7.888  -2.152
  421    HB1  ALA  56           HB1      ALA  56 -11.968 -10.132  -2.509
  422    HB2  ALA  56           HB2      ALA  56 -11.680  -9.635  -4.176
  423    HB3  ALA  56           HB3      ALA  56 -13.331  -9.832  -3.587
  424    H    ASP  57           H        ASP  57 -13.992  -7.242  -4.679
  425    HA   ASP  57           HA       ASP  57 -13.791  -5.998  -6.667
  426    HB2  ASP  57           HB3      ASP  57 -11.698  -4.631  -4.962
  427    HB3  ASP  57           HB2      ASP  57 -12.316  -3.992  -6.483
  428    H    ASP  58           H        ASP  58 -12.562  -8.392  -6.945
  429    HA   ASP  58           HA       ASP  58  -9.761  -8.310  -7.505
  430    HB2  ASP  58           HB3      ASP  58 -11.090 -10.401  -7.194
  431    HB3  ASP  58           HB2      ASP  58 -11.836 -10.110  -8.763
  432    H    VAL  59           H        VAL  59  -8.952  -6.863  -8.926
  433    HA   VAL  59           HA       VAL  59 -10.083  -6.844 -11.682
  434    HB   VAL  59           HB       VAL  59 -10.892  -4.823 -10.474
  435   HG11  VAL  59          HG11      VAL  59  -8.975  -4.669  -8.895
  436   HG12  VAL  59          HG12      VAL  59  -9.274  -3.143  -9.726
  437   HG13  VAL  59          HG13      VAL  59  -7.938  -4.176 -10.232
  438   HG21  VAL  59          HG21      VAL  59  -8.787  -3.793 -12.330
  439   HG22  VAL  59          HG22      VAL  59 -10.512  -3.427 -12.277
  440   HG23  VAL  59          HG23      VAL  59  -9.954  -4.946 -12.977
  441    H    GLU  60           H        GLU  60  -8.463  -6.562 -13.308
  442    HA   GLU  60           HA       GLU  60  -5.763  -7.252 -12.409
  443    HB2  GLU  60           HB3      GLU  60  -6.722  -8.246 -14.465
  444    HB3  GLU  60           HB2      GLU  60  -6.775  -6.648 -15.200
  445    HG2  GLU  60           HG3      GLU  60  -4.343  -6.443 -14.941
  446    HG3  GLU  60           HG2      GLU  60  -4.287  -8.038 -14.206
  447    H    LEU  61           H        LEU  61  -4.177  -5.822 -12.017
  448    HA   LEU  61           HA       LEU  61  -4.504  -3.032 -13.025
  449    HB2  LEU  61           HB3      LEU  61  -2.989  -3.954 -10.569
  450    HB3  LEU  61           HB2      LEU  61  -3.313  -2.289 -11.044
  451    HG   LEU  61           HG       LEU  61  -5.352  -4.365 -10.233
  452   HD11  LEU  61          HD11      LEU  61  -4.462  -3.505  -8.252
  453   HD12  LEU  61          HD12      LEU  61  -5.814  -2.413  -8.548
  454   HD13  LEU  61          HD13      LEU  61  -4.172  -1.915  -8.958
  455   HD21  LEU  61          HD21      LEU  61  -5.594  -1.682 -11.553
  456   HD22  LEU  61          HD22      LEU  61  -6.835  -2.188 -10.407
  457   HD23  LEU  61          HD23      LEU  61  -6.517  -3.157 -11.847
  458    H    SER  62           H        SER  62  -2.736  -2.095 -14.067
  459    HA   SER  62           HA       SER  62  -0.662  -3.947 -14.985
  460    HB2  SER  62           HB3      SER  62  -1.854  -1.599 -15.994
  461    HB3  SER  62           HB2      SER  62  -0.169  -1.186 -15.696
  462    HG   SER  62           HG       SER  62  -1.296  -2.955 -17.500
  463    HA   PRO  63           HA       PRO  63   2.445  -2.946 -12.012
  464    HB2  PRO  63           HB2      PRO  63   4.689  -2.850 -13.640
  465    HB3  PRO  63           HB3      PRO  63   3.958  -4.338 -13.013
  466    HG2  PRO  63           HG3      PRO  63   3.710  -3.090 -15.694
  467    HG3  PRO  63           HG2      PRO  63   3.774  -4.802 -15.241
  468    HD2  PRO  63           HD3      PRO  63   1.448  -3.563 -15.922
  469    HD3  PRO  63           HD2      PRO  63   1.511  -4.899 -14.750
  470    H    GLU  64           H        GLU  64   2.061  -0.915 -14.817
  471    HA   GLU  64           HA       GLU  64   3.903   1.153 -14.176
  472    HB2  GLU  64           HB3      GLU  64   1.234   1.299 -15.577
  473    HB3  GLU  64           HB2      GLU  64   2.417   2.598 -15.557
  474    HG2  GLU  64           HG3      GLU  64   4.069   1.071 -16.591
  475    HG3  GLU  64           HG2      GLU  64   2.832  -0.178 -16.674
  476    H    HIS  65           H        HIS  65   0.705   0.407 -12.957
  477    HA   HIS  65           HA       HIS  65   0.221   2.933 -11.662
  478    HB2  HIS  65           HB3      HIS  65  -1.563   1.307 -12.199
  479    HB3  HIS  65           HB2      HIS  65  -0.889   0.191 -11.012
  480    HD1  HIS  65           HD1      HIS  65  -2.183   3.785 -11.117
  481    HD2  HIS  65           HD2      HIS  65  -1.928   0.561  -8.482
  482    HE1  HIS  65           HE1      HIS  65  -3.413   4.478  -9.010
  483    HE2  HIS  65           HE2      HIS  65  -3.254   2.527  -7.399
  484    H    PHE  66           H        PHE  66   2.045   0.088 -10.702
  485    HA   PHE  66           HA       PHE  66   2.166   1.071  -7.903
  486    HB2  PHE  66           HB3      PHE  66   3.304  -1.448  -9.142
  487    HB3  PHE  66           HB2      PHE  66   3.245  -1.072  -7.419
  488    HD1  PHE  66           HD2      PHE  66   1.228  -1.868 -10.407
  489    HD2  PHE  66           HD1      PHE  66   1.175  -1.203  -6.165
  490    HE1  PHE  66           HE2      PHE  66  -1.080  -2.757 -10.298
  491    HE2  PHE  66           HE1      PHE  66  -1.138  -2.092  -6.055
  492    HZ   PHE  66           HZ       PHE  66  -2.266  -2.871  -8.124
  493    H    ARG  67           H        ARG  67   3.810   1.853 -10.611
  494    HA   ARG  67           HA       ARG  67   6.551   1.496  -9.930
  495    HB2  ARG  67           HB3      ARG  67   5.230   3.726 -11.499
  496    HB3  ARG  67           HB2      ARG  67   6.965   3.429 -11.447
  497    HG2  ARG  67           HG3      ARG  67   5.046   1.259 -12.239
  498    HG3  ARG  67           HG2      ARG  67   5.633   2.423 -13.424
  499    HD2  ARG  67           HD3      ARG  67   7.992   1.798 -12.659
  500    HD3  ARG  67           HD2      ARG  67   7.250   0.453 -11.795
  501    HE   ARG  67           HE       ARG  67   6.333   0.414 -14.495
  502   HH11  ARG  67          HH22      ARG  67   9.145  -0.041 -12.553
  503   HH12  ARG  67          HH21      ARG  67   9.869  -1.184 -13.634
  504   HH21  ARG  67          HH11      ARG  67   7.262  -1.077 -15.917
  505   HH22  ARG  67          HH12      ARG  67   8.803  -1.771 -15.538
  506    H    SER  68           H        SER  68   4.178   3.751  -8.713
  507    HA   SER  68           HA       SER  68   6.266   4.809  -6.873
  508    HB2  SER  68           HB3      SER  68   5.555   7.100  -7.216
  509    HB3  SER  68           HB2      SER  68   5.966   6.406  -8.782
  510    HG   SER  68           HG       SER  68   3.955   6.600  -9.367
  511    H    ILE  69           H        ILE  69   5.417   5.629  -4.870
  512    HA   ILE  69           HA       ILE  69   3.139   4.219  -3.865
  513    HB   ILE  69           HB       ILE  69   4.578   6.636  -2.736
  514   HG12  ILE  69          HG13      ILE  69   4.974   3.708  -2.129
  515   HG13  ILE  69          HG12      ILE  69   5.996   4.615  -3.232
  516   HG21  ILE  69          HG21      ILE  69   3.578   4.851  -0.773
  517   HG22  ILE  69          HG22      ILE  69   2.262   5.202  -1.892
  518   HG23  ILE  69          HG23      ILE  69   3.093   6.519  -1.066
  519   HD11  ILE  69          HD11      ILE  69   7.152   5.521  -1.524
  520   HD12  ILE  69          HD12      ILE  69   6.289   4.424  -0.445
  521   HD13  ILE  69          HD13      ILE  69   5.664   6.047  -0.737
  522    H    ARG  70           H        ARG  70   3.600   7.535  -5.032
  523    HA   ARG  70           HA       ARG  70   1.119   8.610  -4.162
  524    HB2  ARG  70           HB3      ARG  70   3.008   9.949  -5.092
  525    HB3  ARG  70           HB2      ARG  70   2.630   9.312  -6.694
  526    HG2  ARG  70           HG3      ARG  70   0.376  10.279  -6.570
  527    HG3  ARG  70           HG2      ARG  70   0.713  10.884  -4.948
  528    HD2  ARG  70           HD3      ARG  70   1.062  12.713  -6.480
  529    HD3  ARG  70           HD2      ARG  70   2.650  12.179  -5.930
  530    HE   ARG  70           HE       ARG  70   2.096  10.734  -8.285
  531   HH11  ARG  70          HH22      ARG  70   2.474  13.991  -7.220
  532   HH12  ARG  70          HH21      ARG  70   3.091  14.556  -8.737
  533   HH21  ARG  70          HH11      ARG  70   2.899  11.453 -10.272
  534   HH22  ARG  70          HH12      ARG  70   3.331  13.119 -10.465
  535    H    SER  71           H        SER  71   1.932   6.820  -7.136
  536    HA   SER  71           HA       SER  71  -0.540   7.198  -8.472
  537    HB2  SER  71           HB3      SER  71   1.216   4.729  -8.519
  538    HB3  SER  71           HB2      SER  71   0.045   5.202  -9.743
  539    HG   SER  71           HG       SER  71   1.806   7.190  -9.140
  540    H    ILE  72           H        ILE  72   0.446   4.672  -6.146
  541    HA   ILE  72           HA       ILE  72  -2.006   3.216  -6.224
  542    HB   ILE  72           HB       ILE  72  -0.007   3.514  -3.964
  543   HG12  ILE  72          HG13      ILE  72  -0.226   1.408  -6.139
  544   HG13  ILE  72          HG12      ILE  72   0.953   2.720  -6.134
  545   HG21  ILE  72          HG21      ILE  72  -2.528   2.156  -4.169
  546   HG22  ILE  72          HG22      ILE  72  -1.412   2.204  -2.805
  547   HG23  ILE  72          HG23      ILE  72  -1.236   0.963  -4.045
  548   HD11  ILE  72          HD11      ILE  72   1.455   1.776  -3.693
  549   HD12  ILE  72          HD12      ILE  72   2.216   1.072  -5.120
  550   HD13  ILE  72          HD13      ILE  72   0.809   0.293  -4.395
  551    H    ASP  73           H        ASP  73  -0.909   5.952  -4.257
  552    HA   ASP  73           HA       ASP  73  -3.043   6.035  -2.403
  553    HB2  ASP  73           HB3      ASP  73  -0.934   7.453  -2.395
  554    HB3  ASP  73           HB2      ASP  73  -1.705   8.464  -3.617
  555    H    ALA  74           H        ALA  74  -2.833   7.325  -5.706
  556    HA   ALA  74           HA       ALA  74  -5.318   8.750  -5.623
  557    HB1  ALA  74           HB1      ALA  74  -3.475   8.982  -7.365
  558    HB2  ALA  74           HB2      ALA  74  -5.119   8.926  -8.001
  559    HB3  ALA  74           HB3      ALA  74  -4.091   7.495  -8.085
  560    H    PHE  75           H        PHE  75  -4.529   5.433  -6.682
  561    HA   PHE  75           HA       PHE  75  -7.165   4.781  -7.572
  562    HB2  PHE  75           HB3      PHE  75  -5.163   3.389  -8.041
  563    HB3  PHE  75           HB2      PHE  75  -5.122   2.921  -6.345
  564    HD1  PHE  75           HD2      PHE  75  -7.069   2.714  -9.488
  565    HD2  PHE  75           HD1      PHE  75  -6.692   1.334  -5.437
  566    HE1  PHE  75           HE2      PHE  75  -8.735   0.933  -9.939
  567    HE2  PHE  75           HE1      PHE  75  -8.358  -0.447  -5.889
  568    HZ   PHE  75           HZ       PHE  75  -9.379  -0.648  -8.140
  569    H    VAL  76           H        VAL  76  -5.591   4.211  -4.416
  570    HA   VAL  76           HA       VAL  76  -7.932   3.111  -3.183
  571    HB   VAL  76           HB       VAL  76  -5.471   4.451  -2.033
  572   HG11  VAL  76          HG11      VAL  76  -6.310   3.147   0.061
  573   HG12  VAL  76          HG12      VAL  76  -7.882   3.208  -0.734
  574   HG13  VAL  76          HG13      VAL  76  -7.046   4.703  -0.316
  575   HG21  VAL  76          HG21      VAL  76  -6.063   1.578  -1.622
  576   HG22  VAL  76          HG22      VAL  76  -4.535   2.366  -2.017
  577   HG23  VAL  76          HG23      VAL  76  -5.713   2.038  -3.289
  578    H    VAL  77           H        VAL  77  -6.580   6.425  -3.224
  579    HA   VAL  77           HA       VAL  77  -8.563   7.570  -1.526
  580    HB   VAL  77           HB       VAL  77  -6.821   8.737  -3.704
  581   HG11  VAL  77          HG11      VAL  77  -8.949   9.960  -1.997
  582   HG12  VAL  77          HG12      VAL  77  -8.499  10.329  -3.661
  583   HG13  VAL  77          HG13      VAL  77  -7.495  10.900  -2.328
  584   HG21  VAL  77          HG21      VAL  77  -5.947   7.801  -1.425
  585   HG22  VAL  77          HG22      VAL  77  -6.680   9.251  -0.739
  586   HG23  VAL  77          HG23      VAL  77  -5.403   9.395  -1.947
  587    H    GLY  78           H        GLY  78  -8.440   7.082  -5.035
  588    HA2  GLY  78           HA3      GLY  78 -10.740   8.572  -5.738
  589    HA3  GLY  78           HA2      GLY  78 -10.152   7.170  -6.632
  590    H    ALA  79           H        ALA  79 -10.449   5.333  -4.340
  591    HA   ALA  79           HA       ALA  79 -13.411   5.056  -4.488
  592    HB1  ALA  79           HB1      ALA  79 -11.221   3.043  -3.947
  593    HB2  ALA  79           HB2      ALA  79 -12.259   3.135  -5.370
  594    HB3  ALA  79           HB3      ALA  79 -12.939   2.672  -3.810
  595    H    THR  80           H        THR  80 -10.744   4.600  -2.152
  596    HA   THR  80           HA       THR  80 -12.448   5.711  -0.030
  597    HB   THR  80           HB       THR  80 -11.348   2.908   0.227
  598    HG1  THR  80           HG1      THR  80 -13.925   3.907  -0.348
  599   HG21  THR  80          HG21      THR  80 -11.956   4.744   2.186
  600   HG22  THR  80          HG22      THR  80 -11.968   2.994   2.403
  601   HG23  THR  80          HG23      THR  80 -13.466   3.847   2.029
  602    H    THR  81           H        THR  81 -11.200   6.702   1.531
  603    HA   THR  81           HA       THR  81  -8.251   6.237   1.390
  604    HB   THR  81           HB       THR  81  -8.663   8.439   0.574
  605    HG1  THR  81           HG1      THR  81  -7.809   8.190   3.209
  606   HG21  THR  81          HG21      THR  81 -10.758   9.188   1.020
  607   HG22  THR  81          HG22      THR  81 -10.017   9.899   2.454
  608   HG23  THR  81          HG23      THR  81 -10.835   8.340   2.564
  609    HA   PRO  82           HA       PRO  82  -9.521   5.290   5.696
  610    HB2  PRO  82           HB2      PRO  82  -8.403   2.866   5.894
  611    HB3  PRO  82           HB3      PRO  82  -9.916   3.111   4.999
  612    HG2  PRO  82           HG3      PRO  82  -7.162   2.683   3.982
  613    HG3  PRO  82           HG2      PRO  82  -8.715   2.176   3.296
  614    HD2  PRO  82           HD3      PRO  82  -7.198   4.446   2.523
  615    HD3  PRO  82           HD2      PRO  82  -8.868   4.075   2.040
  616    HA   PRO  83           HA       PRO  83  -5.271   6.492   6.930
  617    HB2  PRO  83           HB2      PRO  83  -5.947   7.848   9.184
  618    HB3  PRO  83           HB3      PRO  83  -6.103   8.555   7.565
  619    HG2  PRO  83           HG3      PRO  83  -8.190   7.462   9.359
  620    HG3  PRO  83           HG2      PRO  83  -8.276   8.799   8.202
  621    HD2  PRO  83           HD3      PRO  83  -9.246   6.211   7.756
  622    HD3  PRO  83           HD2      PRO  83  -8.923   7.419   6.494
  623    H    VAL  84           H        VAL  84  -3.932   5.163   8.117
  624    HA   VAL  84           HA       VAL  84  -5.100   3.765  10.491
  625    HB   VAL  84           HB       VAL  84  -3.153   2.549   8.513
  626   HG11  VAL  84          HG11      VAL  84  -3.541   0.503   9.727
  627   HG12  VAL  84          HG12      VAL  84  -4.815   1.253  10.688
  628   HG13  VAL  84          HG13      VAL  84  -3.137   1.745  10.912
  629   HG21  VAL  84          HG21      VAL  84  -5.228   2.760   7.347
  630   HG22  VAL  84          HG22      VAL  84  -6.160   2.339   8.784
  631   HG23  VAL  84          HG23      VAL  84  -5.201   1.108   7.963
  632    H    GLU  85           H        GLU  85  -3.850   3.885  12.305
  633    HA   GLU  85           HA       GLU  85  -1.566   5.610  12.390
  634    HB2  GLU  85           HB3      GLU  85  -3.059   5.118  14.338
  635    HB3  GLU  85           HB2      GLU  85  -2.366   3.497  14.411
  636    HG2  GLU  85           HG3      GLU  85  -0.106   4.514  14.692
  637    HG3  GLU  85           HG2      GLU  85  -0.859   6.109  14.729
  638    H    ALA  86           H        ALA  86  -1.885   2.084  12.168
  639    HA   ALA  86           HA       ALA  86   0.962   1.955  11.359
  640    HB1  ALA  86           HB1      ALA  86   0.460  -0.277  13.087
  641    HB2  ALA  86           HB2      ALA  86   0.072   1.206  13.960
  642    HB3  ALA  86           HB3      ALA  86   1.676   0.989  13.260
  643    H    LYS  87           H        LYS  87   1.465  -0.089  10.260
  644    HA   LYS  87           HA       LYS  87  -0.550  -0.953   8.465
  645    HB2  LYS  87           HB3      LYS  87   1.951  -1.259   8.195
  646    HB3  LYS  87           HB2      LYS  87   1.842  -2.598   9.339
  647    HG2  LYS  87           HG3      LYS  87   0.156  -3.682   7.850
  648    HG3  LYS  87           HG2      LYS  87   0.397  -2.383   6.682
  649    HD2  LYS  87           HD3      LYS  87   2.900  -2.998   6.793
  650    HD3  LYS  87           HD2      LYS  87   2.368  -4.488   7.570
  651    HE2  LYS  87           HE3      LYS  87   1.990  -3.582   4.753
  652    HE3  LYS  87           HE2      LYS  87   2.284  -5.203   5.383
  653    HZ1  LYS  87           HZ1      LYS  87   0.040  -5.340   6.138
  654    HZ2  LYS  87           HZ2      LYS  87   0.011  -4.867   4.510
  655    HZ3  LYS  87           HZ3      LYS  87  -0.262  -3.719   5.731
  656    H    LEU  88           H        LEU  88   0.485  -2.289  11.584
  657    HA   LEU  88           HA       LEU  88  -1.621  -4.381  11.354
  658    HB2  LEU  88           HB3      LEU  88   0.693  -5.059  12.040
  659    HB3  LEU  88           HB2      LEU  88   0.523  -4.045  13.473
  660    HG   LEU  88           HG       LEU  88  -1.541  -5.363  14.072
  661   HD11  LEU  88          HD11      LEU  88  -0.914  -6.552  11.473
  662   HD12  LEU  88          HD12      LEU  88  -2.404  -6.633  12.413
  663   HD13  LEU  88          HD13      LEU  88  -1.092  -7.765  12.740
  664   HD21  LEU  88          HD21      LEU  88   0.251  -7.569  14.112
  665   HD22  LEU  88          HD22      LEU  88  -0.063  -6.414  15.407
  666   HD23  LEU  88          HD23      LEU  88   1.231  -6.110  14.248
  667    H    GLN  89           H        GLN  89  -3.485  -4.204  12.524
  668    HA   GLN  89           HA       GLN  89  -4.431  -1.888  13.689
  669    HB2  GLN  89           HB3      GLN  89  -4.990  -4.728  14.599
  670    HB3  GLN  89           HB2      GLN  89  -5.964  -3.324  15.036
  671    HG2  GLN  89           HG3      GLN  89  -6.455  -2.901  12.668
  672    HG3  GLN  89           HG2      GLN  89  -5.443  -4.269  12.201
  673   HE21  GLN  89          HE22      GLN  89  -8.209  -4.225  11.510
  674   HE22  GLN  89          HE21      GLN  89  -9.011  -5.428  12.399
  675    H1   PN7 101           3HO      SAT  38   1.731  -5.302  -8.584
  676    H2   PN7 101           1H1      SAT  38  -0.052  -7.863  -8.580
  677    H3   PN7 101           2H1      SAT  38  -1.121  -8.386  -9.883
  678    H5   PN7 101          3HE1      SAT  38  -0.512  -5.436  -9.110
  679    H6   PN7 101          1HE1      SAT  38  -1.640  -5.996 -10.344
  680    H7   PN7 101          2HE1      SAT  38  -0.351  -4.871 -10.773
  681    H8   PN7 101          2HE2      SAT  38   1.154  -7.666 -12.275
  682    H9   PN7 101          3HE2      SAT  38   0.035  -6.323 -12.512
  683    H10  PN7 101          1HE2      SAT  38  -0.583  -7.926 -12.114
  684    H11  PN7 101           3H       SAT  38   2.403  -7.335 -10.363
  685    H12  PN7 101           5H       SAT  38   2.486  -3.743  -9.649
  686    H13  PN7 101           2H6      SAT  38   4.705  -3.494 -10.877
  687    H14  PN7 101           1H6      SAT  38   4.667  -5.249 -11.039
  688    H15  PN7 101           1H7      SAT  38   6.121  -4.644  -9.171
  689    H16  PN7 101           2H7      SAT  38   4.674  -5.439  -8.550
  690    H17  PN7 101           9H       SAT  38   2.803  -3.186  -7.795
  691    H18  PN7 101          2H10      SAT  38   4.524  -4.516  -5.858
  692    H19  PN7 101          1H10      SAT  38   2.877  -3.961  -5.565
  693    H20  PN7 101          1H11      SAT  38   4.834  -1.788  -5.946
  694    H21  PN7 101          2H11      SAT  38   5.134  -2.785  -4.523
  695    H22  PN7 101          2HS1      SAT  38   2.953  -2.032  -3.497
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1  -2.174  14.682   1.543
    2    H2   MET   1           H2       MET   1  -2.014  13.772   0.118
    3    H3   MET   1           H3       MET   1  -1.784  13.034   1.631
    4    HA   MET   1           HA       MET   1  -4.356  14.209   0.725
    5    HB2  MET   1           HB3      MET   1  -3.489  11.304   0.869
    6    HB3  MET   1           HB2      MET   1  -5.082  11.890   0.392
    7    HG2  MET   1           HG3      MET   1  -3.986  13.151  -1.483
    8    HG3  MET   1           HG2      MET   1  -2.463  12.373  -1.050
    9    HE1  MET   1           HE1      MET   1  -2.346  11.923  -3.330
   10    HE2  MET   1           HE2      MET   1  -3.884  11.812  -4.183
   11    HE3  MET   1           HE3      MET   1  -2.834  10.394  -4.055
   12    H    GLN   2           H        GLN   2  -5.425  11.731   2.150
   13    HA   GLN   2           HA       GLN   2  -5.327  12.917   4.875
   14    HB2  GLN   2           HB3      GLN   2  -7.136  10.738   3.780
   15    HB3  GLN   2           HB2      GLN   2  -7.315  11.570   5.325
   16    HG2  GLN   2           HG3      GLN   2  -7.473  12.863   2.586
   17    HG3  GLN   2           HG2      GLN   2  -8.838  12.538   3.655
   18   HE21  GLN   2          HE22      GLN   2  -7.141  15.101   2.666
   19   HE22  GLN   2          HE21      GLN   2  -7.066  16.018   4.092
   20    H    HIS   3           H        HIS   3  -4.150  11.907   6.455
   21    HA   HIS   3           HA       HIS   3  -2.719  10.314   7.429
   22    HB2  HIS   3           HB3      HIS   3  -4.663   8.380   6.129
   23    HB3  HIS   3           HB2      HIS   3  -3.607   8.043   7.502
   24    HD1  HIS   3           HD1      HIS   3  -6.894   9.455   6.623
   25    HD2  HIS   3           HD2      HIS   3  -4.321   9.593   9.904
   26    HE1  HIS   3           HE1      HIS   3  -8.257  10.342   8.568
   27    HE2  HIS   3           HE2      HIS   3  -6.700  10.429  10.569
   28    H    ALA   4           H        ALA   4  -2.093  11.259   4.733
   29    HA   ALA   4           HA       ALA   4  -1.313   9.159   2.979
   30    HB1  ALA   4           HB1      ALA   4  -1.099  11.152   1.878
   31    HB2  ALA   4           HB2      ALA   4   0.561  11.048   2.466
   32    HB3  ALA   4           HB3      ALA   4  -0.623  12.023   3.336
   33    H    SER   5           H        SER   5   0.289  10.568   5.799
   34    HA   SER   5           HA       SER   5   2.868   9.422   5.390
   35    HB2  SER   5           HB3      SER   5   3.240   9.836   7.749
   36    HB3  SER   5           HB2      SER   5   2.299  11.175   7.099
   37    HG   SER   5           HG       SER   5   0.560  10.481   8.152
   38    H    VAL   6           H        VAL   6  -0.102   8.086   6.759
   39    HA   VAL   6           HA       VAL   6   1.078   5.723   7.877
   40    HB   VAL   6           HB       VAL   6  -1.708   6.283   6.855
   41   HG11  VAL   6          HG11      VAL   6  -0.552   3.839   8.219
   42   HG12  VAL   6          HG12      VAL   6  -1.424   3.904   6.687
   43   HG13  VAL   6          HG13      VAL   6  -2.279   4.194   8.202
   44   HG21  VAL   6          HG21      VAL   6  -1.255   7.560   8.816
   45   HG22  VAL   6          HG22      VAL   6  -0.379   6.227   9.570
   46   HG23  VAL   6          HG23      VAL   6  -2.131   6.139   9.386
   47    H    ILE   7           H        ILE   7  -0.216   6.467   4.664
   48    HA   ILE   7           HA       ILE   7  -0.087   3.846   3.585
   49    HB   ILE   7           HB       ILE   7   0.387   6.488   2.175
   50   HG12  ILE   7          HG13      ILE   7  -2.167   4.882   2.491
   51   HG13  ILE   7          HG12      ILE   7  -1.758   6.275   3.492
   52   HG21  ILE   7          HG21      ILE   7  -0.328   5.274   0.166
   53   HG22  ILE   7          HG22      ILE   7  -0.531   3.798   1.110
   54   HG23  ILE   7          HG23      ILE   7   1.077   4.480   0.875
   55   HD11  ILE   7          HD11      ILE   7  -2.333   6.194   0.535
   56   HD12  ILE   7          HD12      ILE   7  -1.433   7.531   1.251
   57   HD13  ILE   7          HD13      ILE   7  -3.084   7.198   1.775
   58    H    ALA   8           H        ALA   8   2.372   6.445   3.507
   59    HA   ALA   8           HA       ALA   8   4.382   4.861   2.210
   60    HB1  ALA   8           HB1      ALA   8   4.216   7.465   3.513
   61    HB2  ALA   8           HB2      ALA   8   5.263   6.944   2.194
   62    HB3  ALA   8           HB3      ALA   8   5.742   6.656   3.866
   63    H    GLN   9           H        GLN   9   3.652   5.486   5.617
   64    HA   GLN   9           HA       GLN   9   5.797   3.926   6.712
   65    HB2  GLN   9           HB3      GLN   9   4.491   5.560   8.043
   66    HB3  GLN   9           HB2      GLN   9   3.061   4.541   7.880
   67    HG2  GLN   9           HG3      GLN   9   5.109   2.841   8.822
   68    HG3  GLN   9           HG2      GLN   9   5.236   4.320   9.771
   69   HE21  GLN   9          HE22      GLN   9   2.892   1.802   8.764
   70   HE22  GLN   9          HE21      GLN   9   1.849   2.025  10.085
   71    H    PHE  10           H        PHE  10   2.494   3.169   5.742
   72    HA   PHE  10           HA       PHE  10   2.311   0.538   6.772
   73    HB2  PHE  10           HB3      PHE  10   0.463   1.923   5.728
   74    HB3  PHE  10           HB2      PHE  10   1.145   1.521   4.154
   75    HD1  PHE  10           HD2      PHE  10   1.056  -0.776   3.291
   76    HD2  PHE  10           HD1      PHE  10  -0.651   0.260   7.094
   77    HE1  PHE  10           HE2      PHE  10  -0.192  -2.917   3.315
   78    HE2  PHE  10           HE1      PHE  10  -1.902  -1.880   7.116
   79    HZ   PHE  10           HZ       PHE  10  -1.674  -3.465   5.228
   80    H    VAL  11           H        VAL  11   3.473   1.674   3.605
   81    HA   VAL  11           HA       VAL  11   4.167  -0.985   2.687
   82    HB   VAL  11           HB       VAL  11   5.115   1.716   1.702
   83   HG11  VAL  11          HG11      VAL  11   5.531   0.491  -0.405
   84   HG12  VAL  11          HG12      VAL  11   5.047  -1.012   0.380
   85   HG13  VAL  11          HG13      VAL  11   6.496  -0.163   0.918
   86   HG21  VAL  11          HG21      VAL  11   3.286   1.227  -0.044
   87   HG22  VAL  11          HG22      VAL  11   2.744   1.720   1.561
   88   HG23  VAL  11          HG23      VAL  11   2.690   0.019   1.096
   89    H    VAL  12           H        VAL  12   6.139   1.774   3.839
   90    HA   VAL  12           HA       VAL  12   8.643   0.412   3.666
   91    HB   VAL  12           HB       VAL  12   7.744   2.718   5.388
   92   HG11  VAL  12          HG11      VAL  12   9.637   2.266   6.568
   93   HG12  VAL  12          HG12      VAL  12  10.467   2.932   5.162
   94   HG13  VAL  12          HG13      VAL  12  10.263   1.188   5.321
   95   HG21  VAL  12          HG21      VAL  12   8.064   2.616   2.690
   96   HG22  VAL  12          HG22      VAL  12   9.705   3.027   3.188
   97   HG23  VAL  12          HG23      VAL  12   8.357   4.068   3.647
   98    H    GLU  13           H        GLU  13   6.285   0.665   6.286
   99    HA   GLU  13           HA       GLU  13   7.822  -0.501   8.357
  100    HB2  GLU  13           HB3      GLU  13   5.609   0.546   8.703
  101    HB3  GLU  13           HB2      GLU  13   4.857  -0.795   7.849
  102    HG2  GLU  13           HG3      GLU  13   5.801  -2.357   9.552
  103    HG3  GLU  13           HG2      GLU  13   6.423  -0.961  10.427
  104    H    GLU  14           H        GLU  14   6.115  -1.948   5.663
  105    HA   GLU  14           HA       GLU  14   6.161  -4.651   6.602
  106    HB2  GLU  14           HB3      GLU  14   4.759  -3.810   4.713
  107    HB3  GLU  14           HB2      GLU  14   6.219  -3.679   3.737
  108    HG2  GLU  14           HG3      GLU  14   6.645  -6.105   4.099
  109    HG3  GLU  14           HG2      GLU  14   5.119  -6.215   4.977
  110    H    PHE  15           H        PHE  15   8.611  -2.671   5.006
  111    HA   PHE  15           HA       PHE  15  10.379  -5.091   4.942
  112    HB2  PHE  15           HB3      PHE  15  10.741  -2.629   3.238
  113    HB3  PHE  15           HB2      PHE  15  11.447  -4.229   3.012
  114    HD1  PHE  15           HD2      PHE  15  10.035  -6.136   2.271
  115    HD2  PHE  15           HD1      PHE  15   8.490  -2.141   2.564
  116    HE1  PHE  15           HE2      PHE  15   8.069  -6.796   0.909
  117    HE2  PHE  15           HE1      PHE  15   6.523  -2.797   1.208
  118    HZ   PHE  15           HZ       PHE  15   6.313  -5.127   0.380
  119    H    LEU  16           H        LEU  16  10.579  -1.506   5.310
  120    HA   LEU  16           HA       LEU  16  12.906  -2.009   7.137
  121    HB2  LEU  16           HB3      LEU  16  12.649  -0.295   4.767
  122    HB3  LEU  16           HB2      LEU  16  13.324   0.527   6.173
  123    HG   LEU  16           HG       LEU  16  14.317  -2.150   5.164
  124   HD11  LEU  16          HD11      LEU  16  14.735  -0.426   3.471
  125   HD12  LEU  16          HD12      LEU  16  16.245  -0.854   4.275
  126   HD13  LEU  16          HD13      LEU  16  15.412   0.641   4.701
  127   HD21  LEU  16          HD21      LEU  16  14.722  -0.649   7.562
  128   HD22  LEU  16          HD22      LEU  16  16.224  -0.606   6.638
  129   HD23  LEU  16          HD23      LEU  16  15.504  -2.154   7.078
  130    HA   PRO  17           HA       PRO  17   9.961   0.590   9.517
  131    HB2  PRO  17           HB2      PRO  17   9.883  -1.184  11.679
  132    HB3  PRO  17           HB3      PRO  17   8.688  -1.085  10.380
  133    HG2  PRO  17           HG3      PRO  17  10.497  -3.199  10.924
  134    HG3  PRO  17           HG2      PRO  17   9.343  -3.064   9.594
  135    HD2  PRO  17           HD3      PRO  17  12.261  -2.595   9.577
  136    HD3  PRO  17           HD2      PRO  17  11.168  -2.967   8.225
  137    H    ASP  18           H        ASP  18  13.088  -0.740  10.098
  138    HA   ASP  18           HA       ASP  18  13.515   0.466  12.706
  139    HB2  ASP  18           HB3      ASP  18  15.416  -0.642  10.637
  140    HB3  ASP  18           HB2      ASP  18  15.918  -0.082  12.227
  141    H    VAL  19           H        VAL  19  13.200   1.766   9.660
  142    HA   VAL  19           HA       VAL  19  14.937   4.104  10.356
  143    HB   VAL  19           HB       VAL  19  15.519   2.882   8.220
  144   HG11  VAL  19          HG11      VAL  19  13.076   4.089   6.985
  145   HG12  VAL  19          HG12      VAL  19  12.906   2.558   7.842
  146   HG13  VAL  19          HG13      VAL  19  14.012   2.684   6.475
  147   HG21  VAL  19          HG21      VAL  19  15.885   5.376   8.659
  148   HG22  VAL  19          HG22      VAL  19  14.432   5.660   7.699
  149   HG23  VAL  19          HG23      VAL  19  15.841   4.894   6.963
  150    H    ALA  20           H        ALA  20  13.927   6.183  10.234
  151    HA   ALA  20           HA       ALA  20  11.147   6.246  10.822
  152    HB1  ALA  20           HB1      ALA  20  13.277   8.208  10.332
  153    HB2  ALA  20           HB2      ALA  20  11.968   8.244  11.513
  154    HB3  ALA  20           HB3      ALA  20  11.676   8.773   9.856
  155    HA   PRO  21           HA       PRO  21   9.916   5.586   6.507
  156    HB2  PRO  21           HB2      PRO  21   7.161   5.867   7.094
  157    HB3  PRO  21           HB3      PRO  21   8.070   4.359   6.927
  158    HG2  PRO  21           HG3      PRO  21   7.043   5.610   9.308
  159    HG3  PRO  21           HG2      PRO  21   7.739   3.998   9.099
  160    HD2  PRO  21           HD3      PRO  21   8.936   6.242  10.372
  161    HD3  PRO  21           HD2      PRO  21   9.688   4.671  10.034
  162    H    ALA  22           H        ALA  22   8.698   8.185   8.559
  163    HA   ALA  22           HA       ALA  22   7.716   9.809   6.364
  164    HB1  ALA  22           HB1      ALA  22   8.215  10.202   9.286
  165    HB2  ALA  22           HB2      ALA  22   6.752  10.504   8.349
  166    HB3  ALA  22           HB3      ALA  22   8.098  11.640   8.272
  167    H    ASP  23           H        ASP  23  10.804   9.080   7.625
  168    HA   ASP  23           HA       ASP  23  12.053  11.547   6.584
  169    HB2  ASP  23           HB3      ASP  23  13.210   9.104   7.961
  170    HB3  ASP  23           HB2      ASP  23  14.165  10.491   7.436
  171    H    VAL  24           H        VAL  24  10.897   8.826   5.237
  172    HA   VAL  24           HA       VAL  24  13.169   8.458   3.348
  173    HB   VAL  24           HB       VAL  24  10.601   6.861   3.624
  174   HG11  VAL  24          HG11      VAL  24  12.761   5.413   2.456
  175   HG12  VAL  24          HG12      VAL  24  12.641   6.958   1.613
  176   HG13  VAL  24          HG13      VAL  24  11.241   5.889   1.699
  177   HG21  VAL  24          HG21      VAL  24  13.325   5.887   4.436
  178   HG22  VAL  24          HG22      VAL  24  11.740   5.357   5.000
  179   HG23  VAL  24          HG23      VAL  24  12.403   6.895   5.550
  180    H    ASP  25           H        ASP  25  12.945   9.072   1.196
  181    HA   ASP  25           HA       ASP  25  10.946  11.025   0.559
  182    HB2  ASP  25           HB3      ASP  25  13.199  10.877  -0.531
  183    HB3  ASP  25           HB2      ASP  25  12.653   9.426  -1.372
  184    H    VAL  26           H        VAL  26   8.869  10.148   0.826
  185    HA   VAL  26           HA       VAL  26   8.014   7.612  -0.165
  186    HB   VAL  26           HB       VAL  26   5.753   8.447   0.132
  187   HG11  VAL  26          HG11      VAL  26   5.876   9.137   2.427
  188   HG12  VAL  26          HG12      VAL  26   7.487   9.818   2.201
  189   HG13  VAL  26          HG13      VAL  26   7.253   8.071   2.153
  190   HG21  VAL  26          HG21      VAL  26   7.133  11.074  -0.236
  191   HG22  VAL  26          HG22      VAL  26   5.731  11.027   0.833
  192   HG23  VAL  26          HG23      VAL  26   5.572  10.532  -0.852
  193    H    ASP  27           H        ASP  27   9.290  10.010  -1.954
  194    HA   ASP  27           HA       ASP  27   7.384   9.876  -4.208
  195    HB2  ASP  27           HB3      ASP  27   8.564  12.014  -3.634
  196    HB3  ASP  27           HB2      ASP  27  10.091  11.237  -4.055
  197    H    LEU  28           H        LEU  28   9.413   7.725  -3.026
  198    HA   LEU  28           HA       LEU  28  10.943   7.070  -5.456
  199    HB2  LEU  28           HB3      LEU  28  11.868   6.711  -3.149
  200    HB3  LEU  28           HB2      LEU  28  10.633   5.482  -2.892
  201    HG   LEU  28           HG       LEU  28  11.558   4.436  -5.101
  202   HD11  LEU  28          HD11      LEU  28  13.495   5.233  -5.961
  203   HD12  LEU  28          HD12      LEU  28  14.212   5.451  -4.365
  204   HD13  LEU  28          HD13      LEU  28  13.152   6.692  -5.032
  205   HD21  LEU  28          HD21      LEU  28  13.098   4.420  -2.488
  206   HD22  LEU  28          HD22      LEU  28  13.312   3.234  -3.776
  207   HD23  LEU  28          HD23      LEU  28  11.768   3.350  -2.932
  208    H    ASP  29           H        ASP  29  10.265   5.631  -6.982
  209    HA   ASP  29           HA       ASP  29   7.576   4.593  -6.876
  210    HB2  ASP  29           HB3      ASP  29   9.908   3.943  -8.706
  211    HB3  ASP  29           HB2      ASP  29   8.265   3.350  -8.950
  212    H    LEU  30           H        LEU  30   6.948   2.820  -5.747
  213    HA   LEU  30           HA       LEU  30   8.873   1.114  -4.439
  214    HB2  LEU  30           HB3      LEU  30   6.857  -0.239  -3.806
  215    HB3  LEU  30           HB2      LEU  30   6.683   1.476  -3.426
  216    HG   LEU  30           HG       LEU  30   5.809   0.850  -6.140
  217   HD11  LEU  30          HD11      LEU  30   4.602  -0.607  -3.789
  218   HD12  LEU  30          HD12      LEU  30   5.056  -1.255  -5.366
  219   HD13  LEU  30          HD13      LEU  30   3.641  -0.214  -5.214
  220   HD21  LEU  30          HD21      LEU  30   3.874   2.170  -5.425
  221   HD22  LEU  30          HD22      LEU  30   5.360   2.954  -4.890
  222   HD23  LEU  30          HD23      LEU  30   4.384   2.038  -3.742
  223    H    VAL  31           H        VAL  31   8.293   1.296  -7.604
  224    HA   VAL  31           HA       VAL  31   7.597  -1.255  -8.537
  225    HB   VAL  31           HB       VAL  31   8.176   0.849  -9.900
  226   HG11  VAL  31          HG11      VAL  31  10.451   1.168 -10.561
  227   HG12  VAL  31          HG12      VAL  31  10.951  -0.354  -9.823
  228   HG13  VAL  31          HG13      VAL  31  10.477   1.006  -8.805
  229   HG21  VAL  31          HG21      VAL  31   9.400  -0.810 -11.662
  230   HG22  VAL  31          HG22      VAL  31   7.667  -0.863 -11.336
  231   HG23  VAL  31          HG23      VAL  31   8.751  -1.997 -10.530
  232    H    ASP  32           H        ASP  32  10.732  -0.100  -7.344
  233    HA   ASP  32           HA       ASP  32  12.236  -2.458  -7.897
  234    HB2  ASP  32           HB3      ASP  32  13.162  -0.250  -7.045
  235    HB3  ASP  32           HB2      ASP  32  12.551  -0.692  -5.450
  236    H    ASN  33           H        ASN  33  10.099  -1.553  -5.253
  237    HA   ASN  33           HA       ASN  33  10.475  -4.142  -3.898
  238    HB2  ASN  33           HB3      ASN  33   8.600  -1.856  -3.264
  239    HB3  ASN  33           HB2      ASN  33   8.932  -3.238  -2.224
  240   HD21  ASN  33          HD22      ASN  33   9.622  -0.118  -2.271
  241   HD22  ASN  33          HD21      ASN  33  11.235  -0.113  -1.744
  242    H    GLY  34           H        GLY  34   9.135  -3.518  -6.635
  243    HA2  GLY  34           HA3      GLY  34   6.416  -3.932  -6.707
  244    HA3  GLY  34           HA2      GLY  34   7.505  -4.697  -7.865
  245    H    VAL  35           H        VAL  35   8.716  -6.024  -5.272
  246    HA   VAL  35           HA       VAL  35   7.592  -8.577  -5.605
  247    HB   VAL  35           HB       VAL  35   9.653  -7.854  -4.209
  248   HG11  VAL  35          HG11      VAL  35   9.311  -7.329  -1.935
  249   HG12  VAL  35          HG12      VAL  35   7.638  -7.886  -1.971
  250   HG13  VAL  35          HG13      VAL  35   8.082  -6.382  -2.772
  251   HG21  VAL  35          HG21      VAL  35   9.091  -9.825  -2.540
  252   HG22  VAL  35          HG22      VAL  35   9.291 -10.159  -4.260
  253   HG23  VAL  35          HG23      VAL  35   7.673 -10.022  -3.571
  254    H    ILE  36           H        ILE  36   6.501  -5.880  -3.638
  255    HA   ILE  36           HA       ILE  36   4.452  -7.334  -2.210
  256    HB   ILE  36           HB       ILE  36   5.529  -4.981  -1.746
  257   HG12  ILE  36          HG13      ILE  36   2.566  -5.543  -1.411
  258   HG13  ILE  36          HG12      ILE  36   3.850  -6.033  -0.307
  259   HG21  ILE  36          HG21      ILE  36   4.436  -3.121  -2.697
  260   HG22  ILE  36          HG22      ILE  36   3.061  -4.091  -3.231
  261   HG23  ILE  36          HG23      ILE  36   4.612  -4.226  -4.060
  262   HD11  ILE  36          HD11      ILE  36   2.981  -3.207  -0.957
  263   HD12  ILE  36          HD12      ILE  36   4.437  -3.592  -0.039
  264   HD13  ILE  36          HD13      ILE  36   2.852  -4.030   0.598
  265    H    ASP  37           H        ASP  37   4.654  -5.866  -5.346
  266    HA   ASP  37           HA       ASP  37   1.983  -5.261  -5.908
  267    HB2  ASP  37           HB3      ASP  37   4.081  -6.407  -7.761
  268    HB3  ASP  37           HB2      ASP  37   2.555  -5.707  -8.294
  269    H    SER  38           H        SER  38   3.507  -8.482  -5.971
  270    HA   SER  38           HA       SER  38   0.809  -9.578  -6.661
  271    HB2  SER  38           2HB      SER  38   3.570 -10.675  -7.182
  272    HB3  SER  38           1HB      SER  38   2.102 -11.624  -7.392
  273    H    LEU  39           H        LEU  39   3.727 -10.805  -4.981
  274    HA   LEU  39           HA       LEU  39   2.270 -12.667  -3.411
  275    HB2  LEU  39           HB3      LEU  39   4.742 -12.718  -3.786
  276    HB3  LEU  39           HB2      LEU  39   4.888 -11.351  -2.687
  277    HG   LEU  39           HG       LEU  39   3.318 -13.617  -1.632
  278   HD11  LEU  39          HD11      LEU  39   6.232 -13.852  -2.373
  279   HD12  LEU  39          HD12      LEU  39   4.934 -15.015  -2.641
  280   HD13  LEU  39          HD13      LEU  39   5.562 -14.754  -1.014
  281   HD21  LEU  39          HD21      LEU  39   4.718 -13.093   0.369
  282   HD22  LEU  39          HD22      LEU  39   3.884 -11.672  -0.258
  283   HD23  LEU  39          HD23      LEU  39   5.599 -11.906  -0.592
  284    H    GLY  40           H        GLY  40   3.555  -9.478  -2.487
  285    HA2  GLY  40           HA3      GLY  40   2.272  -9.515   0.097
  286    HA3  GLY  40           HA2      GLY  40   2.984  -8.104  -0.677
  287    H    LEU  41           H        LEU  41   1.432  -8.141  -3.061
  288    HA   LEU  41           HA       LEU  41  -0.843  -6.654  -2.228
  289    HB2  LEU  41           HB3      LEU  41   0.246  -6.567  -4.504
  290    HB3  LEU  41           HB2      LEU  41  -0.529  -8.108  -4.861
  291    HG   LEU  41           HG       LEU  41  -2.732  -6.948  -4.192
  292   HD11  LEU  41          HD11      LEU  41  -2.009  -4.948  -3.154
  293   HD12  LEU  41          HD12      LEU  41  -2.568  -4.430  -4.742
  294   HD13  LEU  41          HD13      LEU  41  -0.843  -4.607  -4.432
  295   HD21  LEU  41          HD21      LEU  41  -2.948  -5.946  -6.466
  296   HD22  LEU  41          HD22      LEU  41  -2.197  -7.540  -6.504
  297   HD23  LEU  41          HD23      LEU  41  -1.203  -6.093  -6.668
  298    H    LEU  42           H        LEU  42  -0.548 -10.049  -3.239
  299    HA   LEU  42           HA       LEU  42  -3.342 -10.639  -3.195
  300    HB2  LEU  42           HB3      LEU  42  -0.825 -12.185  -3.186
  301    HB3  LEU  42           HB2      LEU  42  -2.205 -13.006  -2.470
  302    HG   LEU  42           HG       LEU  42  -1.915 -13.359  -4.961
  303   HD11  LEU  42          HD11      LEU  42  -4.509 -12.252  -5.098
  304   HD12  LEU  42          HD12      LEU  42  -4.275 -12.736  -3.418
  305   HD13  LEU  42          HD13      LEU  42  -4.080 -13.919  -4.712
  306   HD21  LEU  42          HD21      LEU  42  -2.013 -11.614  -6.423
  307   HD22  LEU  42          HD22      LEU  42  -1.517 -10.669  -5.022
  308   HD23  LEU  42          HD23      LEU  42  -3.219 -10.756  -5.466
  309    H    LYS  43           H        LYS  43  -0.862 -10.932  -0.648
  310    HA   LYS  43           HA       LYS  43  -2.652 -11.969   1.335
  311    HB2  LYS  43           HB3      LYS  43  -0.071 -10.423   1.607
  312    HB3  LYS  43           HB2      LYS  43  -0.893 -11.225   2.941
  313    HG2  LYS  43           HG3      LYS  43  -0.741 -13.379   1.680
  314    HG3  LYS  43           HG2      LYS  43   0.206 -12.547   0.447
  315    HD2  LYS  43           HD3      LYS  43   1.865 -11.914   2.202
  316    HD3  LYS  43           HD2      LYS  43   0.946 -12.865   3.370
  317    HE2  LYS  43           HE3      LYS  43   1.215 -14.723   1.446
  318    HE3  LYS  43           HE2      LYS  43   2.667 -13.778   1.117
  319    HZ1  LYS  43           HZ1      LYS  43   2.381 -14.147   3.896
  320    HZ2  LYS  43           HZ2      LYS  43   3.640 -14.659   2.882
  321    HZ3  LYS  43           HZ3      LYS  43   2.285 -15.656   3.123
  322    H    VAL  44           H        VAL  44  -1.612  -8.664   0.532
  323    HA   VAL  44           HA       VAL  44  -3.069  -7.413   2.682
  324    HB   VAL  44           HB       VAL  44  -2.073  -6.314   0.043
  325   HG11  VAL  44          HG11      VAL  44  -2.307  -4.103   1.236
  326   HG12  VAL  44          HG12      VAL  44  -3.209  -4.945   2.495
  327   HG13  VAL  44          HG13      VAL  44  -3.843  -4.880   0.851
  328   HG21  VAL  44          HG21      VAL  44  -0.819  -5.482   2.563
  329   HG22  VAL  44          HG22      VAL  44  -0.069  -6.054   1.073
  330   HG23  VAL  44          HG23      VAL  44  -0.674  -7.213   2.257
  331    H    ILE  45           H        ILE  45  -3.852  -7.946  -0.758
  332    HA   ILE  45           HA       ILE  45  -6.330  -6.569  -0.757
  333    HB   ILE  45           HB       ILE  45  -5.014  -8.625  -2.432
  334   HG12  ILE  45          HG13      ILE  45  -5.548  -7.079  -4.184
  335   HG13  ILE  45          HG12      ILE  45  -6.764  -6.277  -3.193
  336   HG21  ILE  45          HG21      ILE  45  -8.021  -8.314  -2.317
  337   HG22  ILE  45          HG22      ILE  45  -7.081  -9.803  -2.210
  338   HG23  ILE  45          HG23      ILE  45  -7.179  -8.930  -3.737
  339   HD11  ILE  45          HD11      ILE  45  -4.239  -5.344  -3.480
  340   HD12  ILE  45          HD12      ILE  45  -4.025  -6.363  -2.059
  341   HD13  ILE  45          HD13      ILE  45  -5.211  -5.059  -2.039
  342    H    ALA  46           H        ALA  46  -5.675 -10.035  -0.180
  343    HA   ALA  46           HA       ALA  46  -8.394 -10.726   0.367
  344    HB1  ALA  46           HB1      ALA  46  -7.202 -12.648   1.680
  345    HB2  ALA  46           HB2      ALA  46  -5.727 -11.956   1.004
  346    HB3  ALA  46           HB3      ALA  46  -6.995 -12.551  -0.069
  347    H    TRP  47           H        TRP  47  -5.730  -9.814   2.567
  348    HA   TRP  47           HA       TRP  47  -7.411 -10.076   4.924
  349    HB2  TRP  47           HB3      TRP  47  -5.185 -10.423   5.439
  350    HB3  TRP  47           HB2      TRP  47  -4.631  -9.142   4.361
  351    HD1  TRP  47           HD1      TRP  47  -7.142  -9.045   7.317
  352    HE1  TRP  47           HE1      TRP  47  -6.401  -7.151   8.902
  353    HE3  TRP  47           HE3      TRP  47  -2.919  -7.526   4.937
  354    HZ2  TRP  47           HZ2      TRP  47  -4.282  -5.231   9.124
  355    HZ3  TRP  47           HZ3      TRP  47  -1.546  -5.666   5.839
  356    HH2  TRP  47           HH2      TRP  47  -2.224  -4.518   7.929
  357    H    LEU  48           H        LEU  48  -6.078  -7.299   3.136
  358    HA   LEU  48           HA       LEU  48  -7.230  -5.280   4.774
  359    HB2  LEU  48           HB3      LEU  48  -5.431  -4.982   3.031
  360    HB3  LEU  48           HB2      LEU  48  -6.684  -5.102   1.805
  361    HG   LEU  48           HG       LEU  48  -7.850  -3.236   3.241
  362   HD11  LEU  48          HD11      LEU  48  -6.530  -2.049   4.689
  363   HD12  LEU  48          HD12      LEU  48  -5.067  -2.342   3.748
  364   HD13  LEU  48          HD13      LEU  48  -5.693  -3.597   4.815
  365   HD21  LEU  48          HD21      LEU  48  -5.722  -3.128   1.167
  366   HD22  LEU  48          HD22      LEU  48  -6.118  -1.602   1.959
  367   HD23  LEU  48          HD23      LEU  48  -7.373  -2.509   1.114
  368    H    GLU  49           H        GLU  49  -8.461  -6.757   1.752
  369    HA   GLU  49           HA       GLU  49 -10.850  -5.171   1.689
  370    HB2  GLU  49           HB3      GLU  49 -10.235  -7.861   0.447
  371    HB3  GLU  49           HB2      GLU  49 -11.640  -6.885   0.074
  372    HG2  GLU  49           HG3      GLU  49 -10.168  -5.032  -0.619
  373    HG3  GLU  49           HG2      GLU  49  -8.767  -6.047  -0.300
  374    H    ASP  50           H        ASP  50 -10.071  -8.283   3.183
  375    HA   ASP  50           HA       ASP  50 -12.718  -9.100   3.798
  376    HB2  ASP  50           HB3      ASP  50 -10.650 -10.491   4.103
  377    HB3  ASP  50           HB2      ASP  50 -10.276  -9.520   5.524
  378    H    ARG  51           H        ARG  51 -10.503  -6.933   5.524
  379    HA   ARG  51           HA       ARG  51 -12.150  -6.575   7.833
  380    HB2  ARG  51           HB3      ARG  51 -10.067  -4.796   6.554
  381    HB3  ARG  51           HB2      ARG  51 -10.836  -4.440   8.095
  382    HG2  ARG  51           HG3      ARG  51 -10.075  -6.713   8.901
  383    HG3  ARG  51           HG2      ARG  51  -9.135  -6.847   7.414
  384    HD2  ARG  51           HD3      ARG  51  -8.846  -4.695   9.529
  385    HD3  ARG  51           HD2      ARG  51  -7.704  -5.996   9.201
  386    HE   ARG  51           HE       ARG  51  -7.947  -4.675   6.770
  387   HH11  ARG  51          HH22      ARG  51  -7.204  -3.846  10.033
  388   HH12  ARG  51          HH21      ARG  51  -6.161  -2.533   9.603
  389   HH21  ARG  51          HH11      ARG  51  -6.589  -2.962   6.190
  390   HH22  ARG  51          HH12      ARG  51  -5.812  -2.032   7.427
  391    H    PHE  52           H        PHE  52 -12.032  -4.849   4.717
  392    HA   PHE  52           HA       PHE  52 -14.268  -3.137   5.651
  393    HB2  PHE  52           HB3      PHE  52 -12.458  -2.997   3.229
  394    HB3  PHE  52           HB2      PHE  52 -13.790  -1.883   3.527
  395    HD1  PHE  52           HD2      PHE  52 -13.768  -0.413   5.551
  396    HD2  PHE  52           HD1      PHE  52 -10.406  -2.854   4.461
  397    HE1  PHE  52           HE2      PHE  52 -12.319   0.903   7.073
  398    HE2  PHE  52           HE1      PHE  52  -8.957  -1.539   5.985
  399    HZ   PHE  52           HZ       PHE  52  -9.914   0.337   7.292
  400    H    GLY  53           H        GLY  53 -13.854  -6.047   4.067
  401    HA2  GLY  53           HA3      GLY  53 -15.369  -7.382   2.871
  402    HA3  GLY  53           HA2      GLY  53 -16.616  -6.220   3.323
  403    H    ILE  54           H        ILE  54 -13.704  -5.377   1.507
  404    HA   ILE  54           HA       ILE  54 -15.430  -4.312  -0.638
  405    HB   ILE  54           HB       ILE  54 -12.414  -4.283  -0.318
  406   HG12  ILE  54          HG13      ILE  54 -14.416  -2.045   0.087
  407   HG13  ILE  54          HG12      ILE  54 -13.807  -3.041   1.407
  408   HG21  ILE  54          HG21      ILE  54 -12.494  -3.721  -2.515
  409   HG22  ILE  54          HG22      ILE  54 -13.142  -2.182  -1.948
  410   HG23  ILE  54          HG23      ILE  54 -14.238  -3.459  -2.474
  411   HD11  ILE  54          HD11      ILE  54 -11.502  -2.368   0.874
  412   HD12  ILE  54          HD12      ILE  54 -12.502  -0.947   1.177
  413   HD13  ILE  54          HD13      ILE  54 -12.090  -1.398  -0.477
  414    H    ALA  55           H        ALA  55 -15.562  -5.155  -2.721
  415    HA   ALA  55           HA       ALA  55 -14.842  -7.943  -3.066
  416    HB1  ALA  55           HB1      ALA  55 -16.655  -6.212  -4.256
  417    HB2  ALA  55           HB2      ALA  55 -16.295  -7.850  -4.801
  418    HB3  ALA  55           HB3      ALA  55 -15.460  -6.475  -5.525
  419    H    ALA  56           H        ALA  56 -13.006  -8.768  -3.990
  420    HA   ALA  56           HA       ALA  56 -10.752  -7.061  -4.494
  421    HB1  ALA  56           HB1      ALA  56  -9.607  -9.006  -4.470
  422    HB2  ALA  56           HB2      ALA  56 -10.579  -9.674  -5.782
  423    HB3  ALA  56           HB3      ALA  56 -11.146  -9.792  -4.115
  424    H    ASP  57           H        ASP  57 -13.243  -8.426  -6.560
  425    HA   ASP  57           HA       ASP  57 -11.830  -7.654  -9.018
  426    HB2  ASP  57           HB3      ASP  57 -14.603  -8.748  -8.526
  427    HB3  ASP  57           HB2      ASP  57 -13.943  -8.422 -10.127
  428    H    ASP  58           H        ASP  58 -13.434  -5.929  -6.716
  429    HA   ASP  58           HA       ASP  58 -15.268  -4.298  -8.109
  430    HB2  ASP  58           HB3      ASP  58 -14.811  -4.269  -5.624
  431    HB3  ASP  58           HB2      ASP  58 -13.362  -3.332  -5.976
  432    H    VAL  59           H        VAL  59 -11.741  -4.109  -7.927
  433    HA   VAL  59           HA       VAL  59 -11.830  -2.162 -10.189
  434    HB   VAL  59           HB       VAL  59 -11.317  -0.983  -8.041
  435   HG11  VAL  59          HG11      VAL  59  -8.624  -2.226  -7.936
  436   HG12  VAL  59          HG12      VAL  59  -9.957  -3.233  -7.371
  437   HG13  VAL  59          HG13      VAL  59  -9.658  -1.665  -6.622
  438   HG21  VAL  59          HG21      VAL  59 -10.022   0.397  -9.272
  439   HG22  VAL  59          HG22      VAL  59  -9.962  -0.862 -10.505
  440   HG23  VAL  59          HG23      VAL  59  -8.699  -0.768  -9.277
  441    H    GLU  60           H        GLU  60 -10.167  -2.455 -11.727
  442    HA   GLU  60           HA       GLU  60  -8.929  -5.104 -11.713
  443    HB2  GLU  60           HB3      GLU  60  -9.796  -4.041 -13.799
  444    HB3  GLU  60           HB2      GLU  60  -8.536  -2.820 -13.666
  445    HG2  GLU  60           HG3      GLU  60  -6.828  -4.608 -13.728
  446    HG3  GLU  60           HG2      GLU  60  -8.107  -5.796 -13.943
  447    H    LEU  61           H        LEU  61  -6.774  -5.562 -11.329
  448    HA   LEU  61           HA       LEU  61  -5.154  -3.323 -10.236
  449    HB2  LEU  61           HB3      LEU  61  -4.648  -6.300 -10.002
  450    HB3  LEU  61           HB2      LEU  61  -3.889  -5.014  -9.067
  451    HG   LEU  61           HG       LEU  61  -6.799  -5.821  -9.001
  452   HD11  LEU  61          HD11      LEU  61  -6.326  -6.897  -7.059
  453   HD12  LEU  61          HD12      LEU  61  -5.212  -5.638  -6.527
  454   HD13  LEU  61          HD13      LEU  61  -4.664  -6.885  -7.648
  455   HD21  LEU  61          HD21      LEU  61  -5.336  -3.419  -7.933
  456   HD22  LEU  61          HD22      LEU  61  -6.749  -4.044  -7.083
  457   HD23  LEU  61          HD23      LEU  61  -6.897  -3.491  -8.752
  458    H    SER  62           H        SER  62  -3.189  -2.777 -11.154
  459    HA   SER  62           HA       SER  62  -2.069  -4.522 -13.267
  460    HB2  SER  62           HB3      SER  62  -3.591  -2.213 -13.857
  461    HB3  SER  62           HB2      SER  62  -1.908  -1.767 -14.121
  462    HG   SER  62           HG       SER  62  -2.747  -4.257 -15.046
  463    HA   PRO  63           HA       PRO  63   1.785  -3.375 -11.472
  464    HB2  PRO  63           HB2      PRO  63   3.354  -3.050 -13.739
  465    HB3  PRO  63           HB3      PRO  63   2.972  -4.608 -12.988
  466    HG2  PRO  63           HG3      PRO  63   1.773  -3.308 -15.371
  467    HG3  PRO  63           HG2      PRO  63   2.085  -5.023 -15.051
  468    HD2  PRO  63           HD3      PRO  63  -0.405  -3.937 -14.871
  469    HD3  PRO  63           HD2      PRO  63   0.120  -5.299 -13.856
  470    H    GLU  64           H        GLU  64   0.611  -1.338 -14.101
  471    HA   GLU  64           HA       GLU  64   2.373   0.874 -13.690
  472    HB2  GLU  64           HB3      GLU  64   0.916   0.562 -15.694
  473    HB3  GLU  64           HB2      GLU  64  -0.472   0.958 -14.692
  474    HG2  GLU  64           HG3      GLU  64   0.581   3.138 -14.149
  475    HG3  GLU  64           HG2      GLU  64   1.896   2.745 -15.251
  476    H    HIS  65           H        HIS  65  -0.615  -0.108 -12.131
  477    HA   HIS  65           HA       HIS  65  -1.130   2.373 -10.771
  478    HB2  HIS  65           HB3      HIS  65  -2.853   0.641 -11.066
  479    HB3  HIS  65           HB2      HIS  65  -1.940  -0.449 -10.022
  480    HD1  HIS  65           HD1      HIS  65  -3.235   3.145  -9.757
  481    HD2  HIS  65           HD2      HIS  65  -2.859  -0.299  -7.433
  482    HE1  HIS  65           HE1      HIS  65  -4.222   3.696  -7.489
  483    HE2  HIS  65           HE2      HIS  65  -4.002   1.607  -6.069
  484    H    PHE  66           H        PHE  66   1.006  -0.315 -10.057
  485    HA   PHE  66           HA       PHE  66   1.403   0.669  -7.291
  486    HB2  PHE  66           HB3      PHE  66   2.627  -1.701  -8.732
  487    HB3  PHE  66           HB2      PHE  66   2.794  -1.342  -7.013
  488    HD1  PHE  66           HD2      PHE  66   0.764  -1.355  -5.530
  489    HD2  PHE  66           HD1      PHE  66   0.645  -2.704  -9.607
  490    HE1  PHE  66           HE2      PHE  66  -1.395  -2.495  -5.091
  491    HE2  PHE  66           HE1      PHE  66  -1.512  -3.845  -9.168
  492    HZ   PHE  66           HZ       PHE  66  -2.532  -3.740  -6.912
  493    H    ARG  67           H        ARG  67   2.510   1.745 -10.125
  494    HA   ARG  67           HA       ARG  67   5.343   1.667  -9.934
  495    HB2  ARG  67           HB3      ARG  67   3.505   3.776 -11.094
  496    HB3  ARG  67           HB2      ARG  67   5.257   3.787 -11.294
  497    HG2  ARG  67           HG3      ARG  67   3.770   1.287 -11.958
  498    HG3  ARG  67           HG2      ARG  67   3.707   2.629 -13.101
  499    HD2  ARG  67           HD3      ARG  67   6.294   1.535 -11.971
  500    HD3  ARG  67           HD2      ARG  67   5.597   0.980 -13.492
  501    HE   ARG  67           HE       ARG  67   7.008   3.474 -13.093
  502   HH11  ARG  67          HH22      ARG  67   4.416   1.915 -14.747
  503   HH12  ARG  67          HH21      ARG  67   4.460   2.988 -16.106
  504   HH21  ARG  67          HH11      ARG  67   7.081   4.884 -14.858
  505   HH22  ARG  67          HH12      ARG  67   5.970   4.669 -16.169
  506    H    SER  68           H        SER  68   3.004   3.877  -8.431
  507    HA   SER  68           HA       SER  68   5.221   4.797  -6.658
  508    HB2  SER  68           HB3      SER  68   4.505   7.108  -6.847
  509    HB3  SER  68           HB2      SER  68   4.821   6.484  -8.464
  510    HG   SER  68           HG       SER  68   2.361   5.892  -8.077
  511    H    ILE  69           H        ILE  69   4.548   5.449  -4.566
  512    HA   ILE  69           HA       ILE  69   2.286   4.067  -3.485
  513    HB   ILE  69           HB       ILE  69   3.937   6.328  -2.319
  514   HG12  ILE  69          HG13      ILE  69   4.189   3.350  -1.894
  515   HG13  ILE  69          HG12      ILE  69   5.183   4.255  -3.026
  516   HG21  ILE  69          HG21      ILE  69   2.988   4.521  -0.372
  517   HG22  ILE  69          HG22      ILE  69   1.608   4.951  -1.381
  518   HG23  ILE  69          HG23      ILE  69   2.540   6.213  -0.576
  519   HD11  ILE  69          HD11      ILE  69   5.005   4.703  -0.037
  520   HD12  ILE  69          HD12      ILE  69   5.917   5.725  -1.147
  521   HD13  ILE  69          HD13      ILE  69   6.383   4.040  -0.916
  522    H    ARG  70           H        ARG  70   2.823   7.425  -4.473
  523    HA   ARG  70           HA       ARG  70   0.482   8.576  -3.350
  524    HB2  ARG  70           HB3      ARG  70   2.386   9.830  -4.395
  525    HB3  ARG  70           HB2      ARG  70   1.789   9.329  -5.977
  526    HG2  ARG  70           HG3      ARG  70  -0.430  10.380  -5.372
  527    HG3  ARG  70           HG2      ARG  70   0.354  11.048  -3.939
  528    HD2  ARG  70           HD3      ARG  70   1.052  11.589  -6.834
  529    HD3  ARG  70           HD2      ARG  70   0.465  12.742  -5.636
  530    HE   ARG  70           HE       ARG  70   3.014  11.415  -4.994
  531   HH11  ARG  70          HH22      ARG  70   1.308  14.121  -6.292
  532   HH12  ARG  70          HH21      ARG  70   2.633  15.218  -6.094
  533   HH21  ARG  70          HH11      ARG  70   4.751  12.836  -4.733
  534   HH22  ARG  70          HH12      ARG  70   4.580  14.491  -5.213
  535    H    SER  71           H        SER  71   0.973   6.984  -6.502
  536    HA   SER  71           HA       SER  71  -1.567   7.542  -7.612
  537    HB2  SER  71           HB3      SER  71   0.032   4.990  -7.942
  538    HB3  SER  71           HB2      SER  71  -1.180   5.619  -9.050
  539    HG   SER  71           HG       SER  71   1.306   6.084  -9.225
  540    H    ILE  72           H        ILE  72  -0.561   4.871  -5.470
  541    HA   ILE  72           HA       ILE  72  -3.115   3.561  -5.472
  542    HB   ILE  72           HB       ILE  72  -0.907   3.528  -3.394
  543   HG12  ILE  72          HG13      ILE  72  -1.475   1.623  -5.688
  544   HG13  ILE  72          HG12      ILE  72  -0.215   2.857  -5.709
  545   HG21  ILE  72          HG21      ILE  72  -2.285   2.209  -2.215
  546   HG22  ILE  72          HG22      ILE  72  -2.343   1.085  -3.573
  547   HG23  ILE  72          HG23      ILE  72  -3.531   2.382  -3.449
  548   HD11  ILE  72          HD11      ILE  72   0.634   1.783  -3.529
  549   HD12  ILE  72          HD12      ILE  72   0.899   0.878  -5.019
  550   HD13  ILE  72          HD13      ILE  72  -0.413   0.423  -3.932
  551    H    ASP  73           H        ASP  73  -1.639   6.036  -3.407
  552    HA   ASP  73           HA       ASP  73  -3.607   6.102  -1.368
  553    HB2  ASP  73           HB3      ASP  73  -1.412   7.301  -1.310
  554    HB3  ASP  73           HB2      ASP  73  -2.058   8.460  -2.473
  555    H    ALA  74           H        ALA  74  -3.507   7.796  -4.504
  556    HA   ALA  74           HA       ALA  74  -5.859   9.366  -4.030
  557    HB1  ALA  74           HB1      ALA  74  -4.019   9.485  -5.933
  558    HB2  ALA  74           HB2      ALA  74  -5.662  10.047  -6.239
  559    HB3  ALA  74           HB3      ALA  74  -5.159   8.450  -6.793
  560    H    PHE  75           H        PHE  75  -5.409   6.208  -5.624
  561    HA   PHE  75           HA       PHE  75  -8.159   5.875  -6.341
  562    HB2  PHE  75           HB3      PHE  75  -5.857   3.983  -5.916
  563    HB3  PHE  75           HB2      PHE  75  -7.476   3.363  -6.233
  564    HD1  PHE  75           HD1      PHE  75  -5.301   6.143  -7.529
  565    HD2  PHE  75           HD2      PHE  75  -7.925   2.872  -8.458
  566    HE1  PHE  75           HE1      PHE  75  -5.001   6.590  -9.950
  567    HE2  PHE  75           HE2      PHE  75  -7.626   3.319 -10.879
  568    HZ   PHE  75           HZ       PHE  75  -6.164   5.178 -11.625
  569    H    VAL  76           H        VAL  76  -6.326   4.817  -3.461
  570    HA   VAL  76           HA       VAL  76  -8.567   3.543  -2.205
  571    HB   VAL  76           HB       VAL  76  -5.990   4.686  -1.099
  572   HG11  VAL  76          HG11      VAL  76  -7.429   4.683   0.761
  573   HG12  VAL  76          HG12      VAL  76  -6.639   3.110   0.853
  574   HG13  VAL  76          HG13      VAL  76  -8.279   3.238   0.216
  575   HG21  VAL  76          HG21      VAL  76  -6.637   1.782  -1.120
  576   HG22  VAL  76          HG22      VAL  76  -5.101   2.593  -1.422
  577   HG23  VAL  76          HG23      VAL  76  -6.325   2.523  -2.689
  578    H    VAL  77           H        VAL  77  -7.161   6.821  -1.876
  579    HA   VAL  77           HA       VAL  77  -8.959   7.715   0.146
  580    HB   VAL  77           HB       VAL  77  -7.408   9.179  -1.999
  581   HG11  VAL  77          HG11      VAL  77  -7.929  11.106  -0.224
  582   HG12  VAL  77          HG12      VAL  77  -9.385  10.139   0.015
  583   HG13  VAL  77          HG13      VAL  77  -9.005  10.782  -1.583
  584   HG21  VAL  77          HG21      VAL  77  -6.326   7.933   0.024
  585   HG22  VAL  77          HG22      VAL  77  -6.988   9.255   0.986
  586   HG23  VAL  77          HG23      VAL  77  -5.829   9.594  -0.300
  587    H    GLY  78           H        GLY  78  -9.155   7.784  -3.396
  588    HA2  GLY  78           HA3      GLY  78 -11.498   9.352  -3.643
  589    HA3  GLY  78           HA2      GLY  78 -10.996   8.123  -4.803
  590    H    ALA  79           H        ALA  79 -11.122   5.922  -2.841
  591    HA   ALA  79           HA       ALA  79 -14.087   5.663  -2.792
  592    HB1  ALA  79           HB1      ALA  79 -12.952   3.168  -2.219
  593    HB2  ALA  79           HB2      ALA  79 -11.908   3.871  -3.455
  594    HB3  ALA  79           HB3      ALA  79 -13.635   3.685  -3.761
  595    H    THR  80           H        THR  80 -11.249   4.823  -0.783
  596    HA   THR  80           HA       THR  80 -12.794   5.528   1.620
  597    HB   THR  80           HB       THR  80 -11.666   2.745   1.278
  598    HG1  THR  80           HG1      THR  80 -14.166   2.539   1.670
  599   HG21  THR  80          HG21      THR  80 -11.630   3.703   3.589
  600   HG22  THR  80          HG22      THR  80 -12.691   2.303   3.434
  601   HG23  THR  80          HG23      THR  80 -13.376   3.928   3.478
  602    H    THR  81           H        THR  81 -11.446   6.293   3.212
  603    HA   THR  81           HA       THR  81  -8.511   5.894   2.809
  604    HB   THR  81           HB       THR  81  -8.987   8.193   2.377
  605    HG1  THR  81           HG1      THR  81  -7.546   8.875   3.737
  606   HG21  THR  81          HG21      THR  81 -11.023   7.747   4.453
  607   HG22  THR  81          HG22      THR  81 -11.036   8.856   3.082
  608   HG23  THR  81          HG23      THR  81 -10.207   9.306   4.573
  609    HA   PRO  82           HA       PRO  82  -9.522   4.242   6.972
  610    HB2  PRO  82           HB2      PRO  82  -8.309   1.865   6.737
  611    HB3  PRO  82           HB3      PRO  82  -9.871   2.184   5.955
  612    HG2  PRO  82           HG3      PRO  82  -7.148   2.081   4.770
  613    HG3  PRO  82           HG2      PRO  82  -8.698   1.556   4.092
  614    HD2  PRO  82           HD3      PRO  82  -7.405   3.997   3.539
  615    HD3  PRO  82           HD2      PRO  82  -9.100   3.609   3.171
  616    HA   PRO  83           HA       PRO  83  -5.276   5.458   8.187
  617    HB2  PRO  83           HB2      PRO  83  -5.883   6.390  10.662
  618    HB3  PRO  83           HB3      PRO  83  -6.190   7.332   9.191
  619    HG2  PRO  83           HG3      PRO  83  -8.081   5.808  10.891
  620    HG3  PRO  83           HG2      PRO  83  -8.324   7.317   9.998
  621    HD2  PRO  83           HD3      PRO  83  -9.176   4.795   9.150
  622    HD3  PRO  83           HD2      PRO  83  -8.989   6.218   8.103
  623    H    VAL  84           H        VAL  84  -3.778   4.089   9.116
  624    HA   VAL  84           HA       VAL  84  -4.755   2.167  11.196
  625    HB   VAL  84           HB       VAL  84  -2.670   1.611   9.067
  626   HG11  VAL  84          HG11      VAL  84  -4.117  -0.303  10.913
  627   HG12  VAL  84          HG12      VAL  84  -2.540   0.388  11.293
  628   HG13  VAL  84          HG13      VAL  84  -2.731  -0.648   9.879
  629   HG21  VAL  84          HG21      VAL  84  -5.579   0.767   9.267
  630   HG22  VAL  84          HG22      VAL  84  -4.426   0.130   8.094
  631   HG23  VAL  84          HG23      VAL  84  -4.884   1.832   8.045
  632    H    GLU  85           H        GLU  85  -3.549   2.144  13.046
  633    HA   GLU  85           HA       GLU  85  -1.459   4.073  13.451
  634    HB2  GLU  85           HB3      GLU  85  -2.244   1.638  15.083
  635    HB3  GLU  85           HB2      GLU  85  -1.129   2.891  15.628
  636    HG2  GLU  85           HG3      GLU  85  -2.921   4.587  15.332
  637    HG3  GLU  85           HG2      GLU  85  -4.035   3.301  14.864
  638    H    ALA  86           H        ALA  86  -1.448   0.617  12.686
  639    HA   ALA  86           HA       ALA  86   1.378   0.856  11.871
  640    HB1  ALA  86           HB1      ALA  86   0.845  -0.050  14.421
  641    HB2  ALA  86           HB2      ALA  86   2.296  -0.436  13.495
  642    HB3  ALA  86           HB3      ALA  86   0.930  -1.551  13.499
  643    H    LYS  87           H        LYS  87   2.018  -0.894  10.460
  644    HA   LYS  87           HA       LYS  87  -0.026  -1.860   8.739
  645    HB2  LYS  87           HB3      LYS  87   2.416  -1.664   8.154
  646    HB3  LYS  87           HB2      LYS  87   2.712  -3.100   9.136
  647    HG2  LYS  87           HG3      LYS  87   1.116  -4.375   7.731
  648    HG3  LYS  87           HG2      LYS  87   0.872  -2.944   6.732
  649    HD2  LYS  87           HD3      LYS  87   3.377  -2.941   6.317
  650    HD3  LYS  87           HD2      LYS  87   3.423  -4.530   7.079
  651    HE2  LYS  87           HE3      LYS  87   2.425  -3.754   4.415
  652    HE3  LYS  87           HE2      LYS  87   3.015  -5.316   4.984
  653    HZ1  LYS  87           HZ1      LYS  87   0.732  -5.582   4.540
  654    HZ2  LYS  87           HZ2      LYS  87   0.316  -4.151   5.348
  655    HZ3  LYS  87           HZ3      LYS  87   0.861  -5.496   6.232
  656    H    LEU  88           H        LEU  88   1.506  -3.310  11.575
  657    HA   LEU  88           HA       LEU  88   0.572  -5.966  11.284
  658    HB2  LEU  88           HB3      LEU  88   0.837  -4.389  13.863
  659    HB3  LEU  88           HB2      LEU  88   0.822  -6.146  13.714
  660    HG   LEU  88           HG       LEU  88   2.899  -4.268  12.547
  661   HD11  LEU  88          HD11      LEU  88   3.159  -6.417  14.670
  662   HD12  LEU  88          HD12      LEU  88   2.997  -4.697  15.025
  663   HD13  LEU  88          HD13      LEU  88   4.408  -5.287  14.147
  664   HD21  LEU  88          HD21      LEU  88   3.994  -6.657  12.192
  665   HD22  LEU  88          HD22      LEU  88   2.872  -6.005  10.998
  666   HD23  LEU  88          HD23      LEU  88   2.312  -7.188  12.181
  667    H    GLN  89           H        GLN  89  -1.080  -3.071  12.479
  668    HA   GLN  89           HA       GLN  89  -3.469  -4.608  13.231
  669    HB2  GLN  89           HB3      GLN  89  -2.959  -1.621  13.075
  670    HB3  GLN  89           HB2      GLN  89  -4.436  -2.356  13.699
  671    HG2  GLN  89           HG3      GLN  89  -3.144  -3.523  15.434
  672    HG3  GLN  89           HG2      GLN  89  -1.651  -2.829  14.802
  673   HE21  GLN  89          HE22      GLN  89  -2.387  -2.285  17.475
  674   HE22  GLN  89          HE21      GLN  89  -2.841  -0.655  17.610
  675    H1   PN7 101           3HO      SAT  38  -1.659  -9.179 -11.578
  676    H2   PN7 101           1H1      SAT  38  -0.123  -8.746  -8.676
  677    H3   PN7 101           2H1      SAT  38  -1.392  -9.425  -9.694
  678    H5   PN7 101          3HE1      SAT  38   0.055  -6.166  -8.868
  679    H6   PN7 101          1HE1      SAT  38   0.515  -5.724 -10.511
  680    H7   PN7 101          2HE1      SAT  38   1.341  -7.049  -9.689
  681    H8   PN7 101          2HE2      SAT  38  -2.295  -7.216  -9.044
  682    H9   PN7 101          3HE2      SAT  38  -2.754  -7.485 -10.726
  683    H10  PN7 101          1HE2      SAT  38  -2.068  -5.936 -10.236
  684    H11  PN7 101           3H       SAT  38  -0.803  -6.765 -12.370
  685    H12  PN7 101           5H       SAT  38   1.558  -6.046 -11.888
  686    H13  PN7 101           2H6      SAT  38   3.868  -6.424 -11.585
  687    H14  PN7 101           1H6      SAT  38   3.644  -7.464 -12.990
  688    H15  PN7 101           1H7      SAT  38   4.055  -9.279 -11.725
  689    H16  PN7 101           2H7      SAT  38   2.705  -8.868 -10.671
  690    H17  PN7 101           9H       SAT  38   3.365  -8.519  -8.494
  691    H18  PN7 101          2H10      SAT  38   4.991  -8.918  -6.831
  692    H19  PN7 101          1H10      SAT  38   6.201  -8.222  -7.910
  693    H20  PN7 101          1H11      SAT  38   5.194 -10.765  -8.919
  694    H21  PN7 101          2H11      SAT  38   5.901 -10.932  -7.311
  695    H22  PN7 101          2HS1      SAT  38   7.488  -9.614  -9.668
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1   1.576  12.260   5.323
    2    H2   MET   1           H2       MET   1   1.603  10.627   5.793
    3    H3   MET   1           H3       MET   1   1.115  11.824   6.895
    4    HA   MET   1           HA       MET   1  -0.703  12.341   5.157
    5    HB2  MET   1           HB3      MET   1  -0.016   9.449   4.549
    6    HB3  MET   1           HB2      MET   1  -1.364  10.363   3.874
    7    HG2  MET   1           HG3      MET   1   1.581  10.971   3.481
    8    HG3  MET   1           HG2      MET   1   0.485  10.307   2.270
    9    HE1  MET   1           HE1      MET   1  -2.306  12.294   2.919
   10    HE2  MET   1           HE2      MET   1  -1.619  11.204   1.717
   11    HE3  MET   1           HE3      MET   1  -1.904  12.903   1.315
   12    H    GLN   2           H        GLN   2  -2.319   9.827   5.309
   13    HA   GLN   2           HA       GLN   2  -2.750   9.840   8.270
   14    HB2  GLN   2           HB3      GLN   2  -4.708   9.245   6.028
   15    HB3  GLN   2           HB2      GLN   2  -5.088   9.230   7.750
   16    HG2  GLN   2           HG3      GLN   2  -4.482  11.613   7.913
   17    HG3  GLN   2           HG2      GLN   2  -4.086  11.633   6.194
   18   HE21  GLN   2          HE22      GLN   2  -6.136  13.330   7.254
   19   HE22  GLN   2          HE21      GLN   2  -7.631  12.809   6.641
   20    H    HIS   3           H        HIS   3  -2.768   7.865   9.337
   21    HA   HIS   3           HA       HIS   3  -2.075   5.619   9.613
   22    HB2  HIS   3           HB3      HIS   3  -4.487   5.809   7.999
   23    HB3  HIS   3           HB2      HIS   3  -3.579   4.346   7.615
   24    HD1  HIS   3           HD1      HIS   3  -4.376   2.455   9.019
   25    HD2  HIS   3           HD2      HIS   3  -4.412   6.046  11.141
   26    HE1  HIS   3           HE1      HIS   3  -5.160   1.896  11.364
   27    HE2  HIS   3           HE2      HIS   3  -5.186   4.074  12.663
   28    H    ALA   4           H        ALA   4  -0.594   7.266   7.559
   29    HA   ALA   4           HA       ALA   4   0.025   5.699   5.269
   30    HB1  ALA   4           HB1      ALA   4   1.474   7.379   4.826
   31    HB2  ALA   4           HB2      ALA   4   2.312   7.165   6.363
   32    HB3  ALA   4           HB3      ALA   4   0.846   8.142   6.287
   33    H    SER   5           H        SER   5   1.356   5.635   8.563
   34    HA   SER   5           HA       SER   5   3.516   3.848   7.998
   35    HB2  SER   5           HB3      SER   5   3.603   3.467  10.391
   36    HB3  SER   5           HB2      SER   5   3.235   5.168  10.120
   37    HG   SER   5           HG       SER   5   1.587   3.078  11.014
   38    H    VAL   6           H        VAL   6   0.110   3.282   8.773
   39    HA   VAL   6           HA       VAL   6   0.352   0.433   9.095
   40    HB   VAL   6           HB       VAL   6  -1.993   2.165   8.294
   41   HG11  VAL   6          HG11      VAL   6  -2.850   0.177   7.563
   42   HG12  VAL   6          HG12      VAL   6  -3.080  -0.128   9.284
   43   HG13  VAL   6          HG13      VAL   6  -1.663  -0.773   8.456
   44   HG21  VAL   6          HG21      VAL   6  -2.272   0.854  10.815
   45   HG22  VAL   6          HG22      VAL   6  -2.122   2.584  10.504
   46   HG23  VAL   6          HG23      VAL   6  -0.678   1.609  10.775
   47    H    ILE   7           H        ILE   7  -0.278   2.524   6.309
   48    HA   ILE   7           HA       ILE   7  -0.835   0.460   4.426
   49    HB   ILE   7           HB       ILE   7   0.495   3.150   3.990
   50   HG12  ILE   7          HG13      ILE   7  -2.416   2.323   3.742
   51   HG13  ILE   7          HG12      ILE   7  -1.745   3.199   5.118
   52   HG21  ILE   7          HG21      ILE   7  -0.474   2.866   1.676
   53   HG22  ILE   7          HG22      ILE   7  -0.851   1.196   2.100
   54   HG23  ILE   7          HG23      ILE   7   0.827   1.737   2.052
   55   HD11  ILE   7          HD11      ILE   7  -2.754   4.332   2.774
   56   HD12  ILE   7          HD12      ILE   7  -1.004   4.445   2.593
   57   HD13  ILE   7          HD13      ILE   7  -1.793   5.156   4.001
   58    H    ALA   8           H        ALA   8   2.246   2.113   5.171
   59    HA   ALA   8           HA       ALA   8   3.840   0.472   3.440
   60    HB1  ALA   8           HB1      ALA   8   4.623   2.641   4.366
   61    HB2  ALA   8           HB2      ALA   8   5.757   1.335   4.712
   62    HB3  ALA   8           HB3      ALA   8   4.672   1.918   5.974
   63    H    GLN   9           H        GLN   9   3.159   0.296   6.922
   64    HA   GLN   9           HA       GLN   9   4.680  -2.071   7.429
   65    HB2  GLN   9           HB3      GLN   9   3.806  -0.539   9.195
   66    HB3  GLN   9           HB2      GLN   9   2.174  -1.103   8.839
   67    HG2  GLN   9           HG3      GLN   9   3.596  -3.460   9.185
   68    HG3  GLN   9           HG2      GLN   9   4.282  -2.389  10.406
   69   HE21  GLN   9          HE22      GLN   9   0.988  -3.097   9.090
   70   HE22  GLN   9          HE21      GLN   9   0.237  -3.146  10.613
   71    H    PHE  10           H        PHE  10   1.268  -1.579   6.603
   72    HA   PHE  10           HA       PHE  10   0.515  -4.340   6.695
   73    HB2  PHE  10           HB3      PHE  10  -1.083  -2.414   6.698
   74    HB3  PHE  10           HB2      PHE  10  -0.684  -2.127   5.005
   75    HD1  PHE  10           HD2      PHE  10  -2.190  -4.539   7.384
   76    HD2  PHE  10           HD1      PHE  10  -1.562  -3.518   3.260
   77    HE1  PHE  10           HE2      PHE  10  -3.858  -6.245   6.708
   78    HE2  PHE  10           HE1      PHE  10  -3.231  -5.224   2.583
   79    HZ   PHE  10           HZ       PHE  10  -4.379  -6.585   4.309
   80    H    VAL  11           H        VAL  11   1.456  -2.239   3.978
   81    HA   VAL  11           HA       VAL  11   1.340  -4.328   1.999
   82    HB   VAL  11           HB       VAL  11   2.920  -1.738   2.023
   83   HG11  VAL  11          HG11      VAL  11   3.831  -2.504   0.113
   84   HG12  VAL  11          HG12      VAL  11   2.215  -2.497  -0.595
   85   HG13  VAL  11          HG13      VAL  11   2.838  -3.960   0.169
   86   HG21  VAL  11          HG21      VAL  11   0.605  -1.856   0.283
   87   HG22  VAL  11          HG22      VAL  11   0.975  -0.697   1.560
   88   HG23  VAL  11          HG23      VAL  11   0.143  -2.203   1.949
   89    H    VAL  12           H        VAL  12   4.009  -2.932   3.894
   90    HA   VAL  12           HA       VAL  12   6.074  -4.560   2.770
   91    HB   VAL  12           HB       VAL  12   5.886  -3.268   5.495
   92   HG11  VAL  12          HG11      VAL  12   7.609  -5.050   5.356
   93   HG12  VAL  12          HG12      VAL  12   8.330  -3.454   5.529
   94   HG13  VAL  12          HG13      VAL  12   8.306  -4.246   3.954
   95   HG21  VAL  12          HG21      VAL  12   6.614  -1.322   4.530
   96   HG22  VAL  12          HG22      VAL  12   5.846  -2.005   3.097
   97   HG23  VAL  12          HG23      VAL  12   7.587  -2.168   3.326
   98    H    GLU  13           H        GLU  13   3.819  -5.068   5.437
   99    HA   GLU  13           HA       GLU  13   5.003  -7.323   6.645
  100    HB2  GLU  13           HB3      GLU  13   2.975  -6.158   7.501
  101    HB3  GLU  13           HB2      GLU  13   2.050  -6.880   6.190
  102    HG2  GLU  13           HG3      GLU  13   2.705  -9.137   7.006
  103    HG3  GLU  13           HG2      GLU  13   3.526  -8.370   8.363
  104    H    GLU  14           H        GLU  14   3.215  -7.060   3.632
  105    HA   GLU  14           HA       GLU  14   2.746  -9.865   3.251
  106    HB2  GLU  14           HB3      GLU  14   3.067  -7.622   1.235
  107    HB3  GLU  14           HB2      GLU  14   2.496  -9.244   0.840
  108    HG2  GLU  14           HG3      GLU  14   0.634  -8.961   2.460
  109    HG3  GLU  14           HG2      GLU  14   1.184  -7.316   2.778
  110    H    PHE  15           H        PHE  15   5.533  -7.798   2.657
  111    HA   PHE  15           HA       PHE  15   7.104 -10.246   2.049
  112    HB2  PHE  15           HB3      PHE  15   8.182  -9.210   0.127
  113    HB3  PHE  15           HB2      PHE  15   6.437  -9.200  -0.124
  114    HD1  PHE  15           HD2      PHE  15   5.130  -7.089   0.415
  115    HD2  PHE  15           HD1      PHE  15   9.420  -7.179   0.209
  116    HE1  PHE  15           HE2      PHE  15   5.171  -4.621   0.188
  117    HE2  PHE  15           HE1      PHE  15   9.460  -4.711  -0.014
  118    HZ   PHE  15           HZ       PHE  15   7.336  -3.431  -0.026
  119    H    LEU  16           H        LEU  16   7.097  -8.853   4.484
  120    HA   LEU  16           HA       LEU  16   9.280  -6.934   4.483
  121    HB2  LEU  16           HB3      LEU  16   8.719  -6.483   6.647
  122    HB3  LEU  16           HB2      LEU  16   7.213  -7.215   6.142
  123    HG   LEU  16           HG       LEU  16   9.469  -8.635   7.601
  124   HD11  LEU  16          HD11      LEU  16   7.334  -8.791   9.228
  125   HD12  LEU  16          HD12      LEU  16   6.979  -7.254   8.439
  126   HD13  LEU  16          HD13      LEU  16   8.499  -7.470   9.307
  127   HD21  LEU  16          HD21      LEU  16   6.790  -9.860   7.487
  128   HD22  LEU  16          HD22      LEU  16   8.371 -10.607   7.275
  129   HD23  LEU  16          HD23      LEU  16   7.596  -9.787   5.925
  130    HA   PRO  17           HA       PRO  17  12.377 -10.153   4.887
  131    HB2  PRO  17           HB2      PRO  17  14.559  -8.557   5.194
  132    HB3  PRO  17           HB3      PRO  17  13.740  -8.739   3.633
  133    HG2  PRO  17           HG3      PRO  17  13.548  -6.532   5.621
  134    HG3  PRO  17           HG2      PRO  17  13.620  -6.456   3.854
  135    HD2  PRO  17           HD3      PRO  17  11.289  -6.225   5.292
  136    HD3  PRO  17           HD2      PRO  17  11.366  -6.814   3.617
  137    H    ASP  18           H        ASP  18  14.689  -9.579   6.614
  138    HA   ASP  18           HA       ASP  18  13.478 -10.226   9.179
  139    HB2  ASP  18           HB3      ASP  18  16.338  -9.721   8.340
  140    HB3  ASP  18           HB2      ASP  18  15.865 -10.225   9.958
  141    H    VAL  19           H        VAL  19  13.408  -7.442   7.680
  142    HA   VAL  19           HA       VAL  19  14.230  -5.797  10.044
  143    HB   VAL  19           HB       VAL  19  13.798  -4.886   7.186
  144   HG11  VAL  19          HG11      VAL  19  14.923  -3.575   9.675
  145   HG12  VAL  19          HG12      VAL  19  13.515  -3.071   8.738
  146   HG13  VAL  19          HG13      VAL  19  15.133  -2.909   8.055
  147   HG21  VAL  19          HG21      VAL  19  16.186  -5.963   8.637
  148   HG22  VAL  19          HG22      VAL  19  16.435  -4.628   7.512
  149   HG23  VAL  19          HG23      VAL  19  15.732  -6.141   6.942
  150    H    ALA  20           H        ALA  20  12.661  -4.563  11.043
  151    HA   ALA  20           HA       ALA  20   9.890  -5.086  10.438
  152    HB1  ALA  20           HB1      ALA  20   9.583  -4.250  12.509
  153    HB2  ALA  20           HB2      ALA  20  10.294  -2.705  12.044
  154    HB3  ALA  20           HB3      ALA  20  11.329  -4.022  12.597
  155    HA   PRO  21           HA       PRO  21   9.228  -2.099   7.156
  156    HB2  PRO  21           HB2      PRO  21   6.724  -1.439   8.644
  157    HB3  PRO  21           HB3      PRO  21   6.944  -1.848   6.932
  158    HG2  PRO  21           HG3      PRO  21   5.943  -3.595   8.690
  159    HG3  PRO  21           HG2      PRO  21   6.960  -4.097   7.329
  160    HD2  PRO  21           HD3      PRO  21   7.619  -4.011  10.222
  161    HD3  PRO  21           HD2      PRO  21   8.312  -5.006   8.921
  162    H    ALA  22           H        ALA  22   8.730  -1.182  10.531
  163    HA   ALA  22           HA       ALA  22   8.771   1.667  10.110
  164    HB1  ALA  22           HB1      ALA  22   8.003   1.295  12.230
  165    HB2  ALA  22           HB2      ALA  22   9.714   1.380  12.649
  166    HB3  ALA  22           HB3      ALA  22   8.941  -0.188  12.413
  167    H    ASP  23           H        ASP  23  11.233  -0.774  10.265
  168    HA   ASP  23           HA       ASP  23  13.355   1.306  10.463
  169    HB2  ASP  23           HB3      ASP  23  13.468  -1.713  10.737
  170    HB3  ASP  23           HB2      ASP  23  14.880  -0.658  10.802
  171    H    VAL  24           H        VAL  24  11.572   0.075   8.100
  172    HA   VAL  24           HA       VAL  24  13.793  -0.594   6.255
  173    HB   VAL  24           HB       VAL  24  11.365  -1.717   6.441
  174   HG11  VAL  24          HG11      VAL  24   9.776  -0.802   4.927
  175   HG12  VAL  24          HG12      VAL  24  10.957   0.307   4.233
  176   HG13  VAL  24          HG13      VAL  24  10.349   0.574   5.867
  177   HG21  VAL  24          HG21      VAL  24  13.233  -2.409   4.955
  178   HG22  VAL  24          HG22      VAL  24  12.770  -1.149   3.811
  179   HG23  VAL  24          HG23      VAL  24  11.676  -2.494   4.131
  180    H    ASP  25           H        ASP  25  14.336   0.734   4.501
  181    HA   ASP  25           HA       ASP  25  13.781   3.548   4.819
  182    HB2  ASP  25           HB3      ASP  25  15.062   1.998   2.549
  183    HB3  ASP  25           HB2      ASP  25  15.013   3.759   2.641
  184    H    VAL  26           H        VAL  26  11.458   3.694   4.681
  185    HA   VAL  26           HA       VAL  26   9.889   2.690   2.537
  186    HB   VAL  26           HB       VAL  26   8.868   3.552   4.574
  187   HG11  VAL  26          HG11      VAL  26   9.558   5.476   5.521
  188   HG12  VAL  26          HG12      VAL  26   9.132   6.386   4.071
  189   HG13  VAL  26          HG13      VAL  26  10.728   5.649   4.213
  190   HG21  VAL  26          HG21      VAL  26   7.913   3.946   2.085
  191   HG22  VAL  26          HG22      VAL  26   7.989   5.619   2.631
  192   HG23  VAL  26          HG23      VAL  26   7.033   4.441   3.530
  193    H    ASP  27           H        ASP  27  12.467   4.657   2.211
  194    HA   ASP  27           HA       ASP  27  11.275   6.427   0.148
  195    HB2  ASP  27           HB3      ASP  27  14.066   6.275   1.331
  196    HB3  ASP  27           HB2      ASP  27  13.584   7.412   0.072
  197    H    LEU  28           H        LEU  28  12.077   3.346   0.196
  198    HA   LEU  28           HA       LEU  28  13.858   3.245  -2.153
  199    HB2  LEU  28           HB3      LEU  28  14.028   1.589  -0.276
  200    HB3  LEU  28           HB2      LEU  28  12.432   0.989  -0.715
  201    HG   LEU  28           HG       LEU  28  13.540   0.801  -3.125
  202   HD11  LEU  28          HD11      LEU  28  15.899   0.526  -1.242
  203   HD12  LEU  28          HD12      LEU  28  15.671   1.834  -2.403
  204   HD13  LEU  28          HD13      LEU  28  15.909   0.182  -2.972
  205   HD21  LEU  28          HD21      LEU  28  12.629  -1.118  -2.016
  206   HD22  LEU  28          HD22      LEU  28  13.894  -1.089  -0.787
  207   HD23  LEU  28          HD23      LEU  28  14.287  -1.542  -2.446
  208    H    ASP  29           H        ASP  29  13.156   2.854  -4.229
  209    HA   ASP  29           HA       ASP  29  10.378   3.211  -4.856
  210    HB2  ASP  29           HB3      ASP  29  12.653   2.093  -6.529
  211    HB3  ASP  29           HB2      ASP  29  11.065   2.527  -7.163
  212    H    LEU  30           H        LEU  30   8.804   1.699  -4.609
  213    HA   LEU  30           HA       LEU  30   9.533  -1.063  -4.017
  214    HB2  LEU  30           HB3      LEU  30   7.156  -1.403  -3.636
  215    HB3  LEU  30           HB2      LEU  30   7.637   0.121  -2.889
  216    HG   LEU  30           HG       LEU  30   6.946   0.766  -5.545
  217   HD11  LEU  30          HD11      LEU  30   4.672  -0.119  -5.749
  218   HD12  LEU  30          HD12      LEU  30   4.859  -1.005  -4.236
  219   HD13  LEU  30          HD13      LEU  30   5.820  -1.453  -5.645
  220   HD21  LEU  30          HD21      LEU  30   5.394   1.048  -2.954
  221   HD22  LEU  30          HD22      LEU  30   5.093   1.974  -4.424
  222   HD23  LEU  30          HD23      LEU  30   6.615   2.170  -3.554
  223    H    VAL  31           H        VAL  31   9.632   0.417  -6.843
  224    HA   VAL  31           HA       VAL  31   7.920  -0.980  -8.609
  225    HB   VAL  31           HB       VAL  31  10.741   0.047  -9.020
  226   HG11  VAL  31          HG11      VAL  31  10.409  -1.601 -10.717
  227   HG12  VAL  31          HG12      VAL  31  10.043  -0.053 -11.480
  228   HG13  VAL  31          HG13      VAL  31   8.732  -1.113 -10.962
  229   HG21  VAL  31          HG21      VAL  31   9.436   1.817 -10.305
  230   HG22  VAL  31          HG22      VAL  31   9.205   1.836  -8.557
  231   HG23  VAL  31          HG23      VAL  31   7.972   1.130  -9.602
  232    H    ASP  32           H        ASP  32  11.081  -1.894  -7.291
  233    HA   ASP  32           HA       ASP  32  11.474  -4.277  -8.777
  234    HB2  ASP  32           HB3      ASP  32  12.221  -3.620  -5.910
  235    HB3  ASP  32           HB2      ASP  32  12.803  -5.040  -6.779
  236    H    ASN  33           H        ASN  33   9.555  -3.622  -5.891
  237    HA   ASN  33           HA       ASN  33   8.692  -6.426  -5.682
  238    HB2  ASN  33           HB3      ASN  33   7.768  -3.972  -4.173
  239    HB3  ASN  33           HB2      ASN  33   7.382  -5.640  -3.761
  240   HD21  ASN  33          HD22      ASN  33   9.727  -3.137  -3.375
  241   HD22  ASN  33          HD21      ASN  33  10.912  -4.066  -2.592
  242    H    GLY  34           H        GLY  34   8.055  -4.277  -7.901
  243    HA2  GLY  34           HA3      GLY  34   5.391  -3.587  -8.039
  244    HA3  GLY  34           HA2      GLY  34   6.284  -4.148  -9.453
  245    H    VAL  35           H        VAL  35   6.629  -6.779  -7.778
  246    HA   VAL  35           HA       VAL  35   4.715  -8.343  -9.108
  247    HB   VAL  35           HB       VAL  35   6.740  -9.094  -7.690
  248   HG11  VAL  35          HG11      VAL  35   5.620  -7.884  -5.665
  249   HG12  VAL  35          HG12      VAL  35   6.433  -9.425  -5.394
  250   HG13  VAL  35          HG13      VAL  35   4.675  -9.364  -5.527
  251   HG21  VAL  35          HG21      VAL  35   5.208 -10.660  -8.827
  252   HG22  VAL  35          HG22      VAL  35   4.085 -10.553  -7.471
  253   HG23  VAL  35          HG23      VAL  35   5.673 -11.287  -7.245
  254    H    ILE  36           H        ILE  36   4.418  -6.466  -6.171
  255    HA   ILE  36           HA       ILE  36   1.902  -7.584  -5.297
  256    HB   ILE  36           HB       ILE  36   3.671  -6.039  -4.063
  257   HG12  ILE  36          HG13      ILE  36   0.670  -5.770  -3.692
  258   HG13  ILE  36          HG12      ILE  36   1.687  -7.040  -3.014
  259   HG21  ILE  36          HG21      ILE  36   1.636  -3.968  -4.889
  260   HG22  ILE  36          HG22      ILE  36   3.120  -4.205  -5.814
  261   HG23  ILE  36          HG23      ILE  36   3.205  -3.723  -4.120
  262   HD11  ILE  36          HD11      ILE  36   1.821  -4.082  -2.392
  263   HD12  ILE  36          HD12      ILE  36   3.019  -5.255  -1.844
  264   HD13  ILE  36          HD13      ILE  36   1.348  -5.378  -1.293
  265    H    ASP  37           H        ASP  37   2.821  -5.276  -7.687
  266    HA   ASP  37           HA       ASP  37   0.567  -3.622  -7.873
  267    HB2  ASP  37           HB3      ASP  37   2.319  -4.705 -10.088
  268    HB3  ASP  37           HB2      ASP  37   1.162  -3.392 -10.290
  269    H    SER  38           H        SER  38   0.927  -6.933  -9.144
  270    HA   SER  38           HA       SER  38  -1.913  -6.727 -10.065
  271    HB2  SER  38           2HB      SER  38   0.303  -8.531 -11.051
  272    HB3  SER  38           1HB      SER  38  -1.367  -8.605 -11.601
  273    H    LEU  39           H        LEU  39   0.280  -9.382  -9.078
  274    HA   LEU  39           HA       LEU  39  -1.839 -11.063  -8.215
  275    HB2  LEU  39           HB3      LEU  39   0.501 -11.812  -8.704
  276    HB3  LEU  39           HB2      LEU  39   0.999 -11.068  -7.188
  277    HG   LEU  39           HG       LEU  39  -1.316 -12.891  -6.975
  278   HD11  LEU  39          HD11      LEU  39   1.432 -13.819  -7.818
  279   HD12  LEU  39          HD12      LEU  39  -0.129 -14.261  -8.511
  280   HD13  LEU  39          HD13      LEU  39   0.332 -14.865  -6.920
  281   HD21  LEU  39          HD21      LEU  39  -0.279 -11.881  -5.002
  282   HD22  LEU  39          HD22      LEU  39   1.293 -12.533  -5.465
  283   HD23  LEU  39          HD23      LEU  39  -0.005 -13.622  -4.977
  284    H    GLY  40           H        GLY  40   0.363  -9.051  -6.273
  285    HA2  GLY  40           HA3      GLY  40  -1.060  -9.557  -3.815
  286    HA3  GLY  40           HA2      GLY  40   0.143  -8.299  -4.066
  287    H    LEU  41           H        LEU  41  -1.136  -6.969  -6.234
  288    HA   LEU  41           HA       LEU  41  -2.824  -5.168  -4.834
  289    HB2  LEU  41           HB3      LEU  41  -1.639  -4.679  -6.985
  290    HB3  LEU  41           HB2      LEU  41  -2.812  -5.700  -7.815
  291    HG   LEU  41           HG       LEU  41  -4.630  -4.232  -6.833
  292   HD11  LEU  41          HD11      LEU  41  -3.886  -2.912  -5.139
  293   HD12  LEU  41          HD12      LEU  41  -3.387  -1.832  -6.439
  294   HD13  LEU  41          HD13      LEU  41  -2.221  -2.937  -5.717
  295   HD21  LEU  41          HD21      LEU  41  -3.940  -3.988  -9.162
  296   HD22  LEU  41          HD22      LEU  41  -2.576  -2.980  -8.679
  297   HD23  LEU  41          HD23      LEU  41  -4.224  -2.390  -8.471
  298    H    LEU  42           H        LEU  42  -3.625  -7.961  -6.878
  299    HA   LEU  42           HA       LEU  42  -6.464  -7.558  -6.843
  300    HB2  LEU  42           HB3      LEU  42  -4.616  -9.768  -7.521
  301    HB3  LEU  42           HB2      LEU  42  -6.231 -10.259  -7.033
  302    HG   LEU  42           HG       LEU  42  -5.915  -9.833  -9.517
  303   HD11  LEU  42          HD11      LEU  42  -8.013  -8.012  -9.188
  304   HD12  LEU  42          HD12      LEU  42  -8.030  -8.980  -7.714
  305   HD13  LEU  42          HD13      LEU  42  -8.156  -9.767  -9.287
  306   HD21  LEU  42          HD21      LEU  42  -6.281  -6.939  -9.019
  307   HD22  LEU  42          HD22      LEU  42  -5.390  -7.756 -10.301
  308   HD23  LEU  42          HD23      LEU  42  -4.665  -7.566  -8.709
  309    H    LYS  43           H        LYS  43  -4.307  -9.460  -4.739
  310    HA   LYS  43           HA       LYS  43  -6.373 -10.490  -3.053
  311    HB2  LYS  43           HB3      LYS  43  -3.458  -9.930  -2.488
  312    HB3  LYS  43           HB2      LYS  43  -4.518 -10.843  -1.421
  313    HG2  LYS  43           HG3      LYS  43  -4.950 -12.462  -3.243
  314    HG3  LYS  43           HG2      LYS  43  -3.859 -11.557  -4.291
  315    HD2  LYS  43           HD3      LYS  43  -2.633 -13.424  -3.336
  316    HD3  LYS  43           HD2      LYS  43  -2.027 -11.930  -2.623
  317    HE2  LYS  43           HE3      LYS  43  -2.872 -12.415  -0.550
  318    HE3  LYS  43           HE2      LYS  43  -4.293 -13.227  -1.204
  319    HZ1  LYS  43           HZ1      LYS  43  -2.657 -14.712  -0.083
  320    HZ2  LYS  43           HZ2      LYS  43  -1.558 -14.366  -1.328
  321    HZ3  LYS  43           HZ3      LYS  43  -3.023 -15.151  -1.683
  322    H    VAL  44           H        VAL  44  -4.452  -7.513  -2.941
  323    HA   VAL  44           HA       VAL  44  -5.356  -6.619  -0.375
  324    HB   VAL  44           HB       VAL  44  -4.397  -5.086  -2.805
  325   HG11  VAL  44          HG11      VAL  44  -5.216  -3.268  -1.733
  326   HG12  VAL  44          HG12      VAL  44  -3.924  -3.533  -0.561
  327   HG13  VAL  44          HG13      VAL  44  -5.536  -4.182  -0.259
  328   HG21  VAL  44          HG21      VAL  44  -2.279  -5.324  -1.942
  329   HG22  VAL  44          HG22      VAL  44  -2.988  -6.789  -1.262
  330   HG23  VAL  44          HG23      VAL  44  -2.849  -5.335  -0.273
  331    H    ILE  45           H        ILE  45  -6.596  -5.974  -3.658
  332    HA   ILE  45           HA       ILE  45  -8.702  -4.229  -2.858
  333    HB   ILE  45           HB       ILE  45  -8.047  -5.855  -5.259
  334   HG12  ILE  45          HG13      ILE  45  -8.285  -3.728  -6.360
  335   HG13  ILE  45          HG12      ILE  45  -9.133  -3.041  -4.976
  336   HG21  ILE  45          HG21      ILE  45 -10.319  -5.163  -6.225
  337   HG22  ILE  45          HG22      ILE  45 -10.838  -4.934  -4.556
  338   HG23  ILE  45          HG23      ILE  45 -10.322  -6.528  -5.110
  339   HD11  ILE  45          HD11      ILE  45  -6.514  -2.638  -5.371
  340   HD12  ILE  45          HD12      ILE  45  -6.412  -4.160  -4.491
  341   HD13  ILE  45          HD13      ILE  45  -7.200  -2.767  -3.753
  342    H    ALA  46           H        ALA  46  -8.637  -7.767  -3.310
  343    HA   ALA  46           HA       ALA  46 -11.404  -8.197  -2.730
  344    HB1  ALA  46           HB1      ALA  46  -8.933  -9.910  -2.606
  345    HB2  ALA  46           HB2      ALA  46 -10.318 -10.040  -3.692
  346    HB3  ALA  46           HB3      ALA  46 -10.471 -10.530  -2.005
  347    H    TRP  47           H        TRP  47  -8.525  -8.210  -0.622
  348    HA   TRP  47           HA       TRP  47 -10.057  -8.795   1.771
  349    HB2  TRP  47           HB3      TRP  47  -7.858  -9.364   2.135
  350    HB3  TRP  47           HB2      TRP  47  -7.243  -8.048   1.135
  351    HD1  TRP  47           HD1      TRP  47  -8.591  -8.766   4.648
  352    HE1  TRP  47           HE1      TRP  47  -7.883  -6.835   6.204
  353    HE3  TRP  47           HE3      TRP  47  -6.551  -5.579   1.233
  354    HZ2  TRP  47           HZ2      TRP  47  -6.614  -4.276   6.020
  355    HZ3  TRP  47           HZ3      TRP  47  -5.600  -3.407   1.939
  356    HH2  TRP  47           HH2      TRP  47  -5.628  -2.752   4.325
  357    H    LEU  48           H        LEU  48  -8.825  -5.847   0.237
  358    HA   LEU  48           HA       LEU  48  -9.429  -4.019   2.306
  359    HB2  LEU  48           HB3      LEU  48  -8.168  -3.515   0.179
  360    HB3  LEU  48           HB2      LEU  48  -9.707  -3.507  -0.665
  361    HG   LEU  48           HG       LEU  48 -10.414  -1.803   1.183
  362   HD11  LEU  48          HD11      LEU  48  -7.902  -2.353   2.101
  363   HD12  LEU  48          HD12      LEU  48  -8.780  -0.867   2.460
  364   HD13  LEU  48          HD13      LEU  48  -7.606  -0.904   1.145
  365   HD21  LEU  48          HD21      LEU  48 -10.294  -1.163  -1.135
  366   HD22  LEU  48          HD22      LEU  48  -8.531  -1.217  -1.115
  367   HD23  LEU  48          HD23      LEU  48  -9.385   0.046  -0.227
  368    H    GLU  49           H        GLU  49 -11.497  -5.321  -0.283
  369    HA   GLU  49           HA       GLU  49 -13.787  -3.705   0.290
  370    HB2  GLU  49           HB3      GLU  49 -13.807  -4.920  -1.760
  371    HB3  GLU  49           HB2      GLU  49 -13.459  -6.444  -0.947
  372    HG2  GLU  49           HG3      GLU  49 -15.911  -5.083  -0.017
  373    HG3  GLU  49           HG2      GLU  49 -15.963  -5.643  -1.686
  374    H    ASP  50           H        ASP  50 -12.732  -6.862   1.542
  375    HA   ASP  50           HA       ASP  50 -15.032  -7.276   3.214
  376    HB2  ASP  50           HB3      ASP  50 -13.366  -9.036   2.517
  377    HB3  ASP  50           HB2      ASP  50 -12.239  -8.323   3.668
  378    H    ARG  51           H        ARG  51 -11.868  -5.790   3.786
  379    HA   ARG  51           HA       ARG  51 -12.128  -5.427   6.590
  380    HB2  ARG  51           HB3      ARG  51 -10.019  -5.136   5.270
  381    HB3  ARG  51           HB2      ARG  51 -10.669  -3.625   4.638
  382    HG2  ARG  51           HG3      ARG  51  -9.380  -2.888   6.447
  383    HG3  ARG  51           HG2      ARG  51 -10.985  -3.001   7.162
  384    HD2  ARG  51           HD3      ARG  51 -10.434  -5.249   8.041
  385    HD3  ARG  51           HD2      ARG  51  -8.826  -5.124   7.330
  386    HE   ARG  51           HE       ARG  51  -9.147  -2.854   8.963
  387   HH11  ARG  51          HH22      ARG  51  -9.146  -6.293   9.215
  388   HH12  ARG  51          HH21      ARG  51  -8.538  -6.307  10.837
  389   HH21  ARG  51          HH11      ARG  51  -8.352  -2.852  11.079
  390   HH22  ARG  51          HH12      ARG  51  -8.088  -4.359  11.892
  391    H    PHE  52           H        PHE  52 -13.022  -3.203   3.920
  392    HA   PHE  52           HA       PHE  52 -14.426  -1.524   5.949
  393    HB2  PHE  52           HB3      PHE  52 -13.412  -0.881   3.171
  394    HB3  PHE  52           HB2      PHE  52 -14.331   0.232   4.177
  395    HD1  PHE  52           HD1      PHE  52 -13.390   1.074   6.318
  396    HD2  PHE  52           HD2      PHE  52 -11.100  -1.380   3.638
  397    HE1  PHE  52           HE1      PHE  52 -11.308   1.733   7.494
  398    HE2  PHE  52           HE2      PHE  52  -9.018  -0.721   4.814
  399    HZ   PHE  52           HZ       PHE  52  -9.122   0.835   6.742
  400    H    GLY  53           H        GLY  53 -15.077  -3.853   3.615
  401    HA2  GLY  53           HA3      GLY  53 -17.155  -4.564   2.744
  402    HA3  GLY  53           HA2      GLY  53 -17.923  -3.314   3.724
  403    H    ILE  54           H        ILE  54 -15.353  -2.685   1.397
  404    HA   ILE  54           HA       ILE  54 -17.272  -0.980  -0.122
  405    HB   ILE  54           HB       ILE  54 -14.239  -0.960  -0.123
  406   HG12  ILE  54          HG13      ILE  54 -16.129   1.013   1.183
  407   HG13  ILE  54          HG12      ILE  54 -15.399  -0.332   2.060
  408   HG21  ILE  54          HG21      ILE  54 -14.974   0.004  -2.158
  409   HG22  ILE  54          HG22      ILE  54 -14.746   1.385  -1.085
  410   HG23  ILE  54          HG23      ILE  54 -16.368   0.765  -1.391
  411   HD11  ILE  54          HD11      ILE  54 -13.927   1.898   0.630
  412   HD12  ILE  54          HD12      ILE  54 -13.148   0.496   1.363
  413   HD13  ILE  54          HD13      ILE  54 -14.020   1.648   2.374
  414    H    ALA  55           H        ALA  55 -17.449  -1.212  -2.378
  415    HA   ALA  55           HA       ALA  55 -17.068  -3.817  -3.469
  416    HB1  ALA  55           HB1      ALA  55 -18.639  -2.727  -4.728
  417    HB2  ALA  55           HB2      ALA  55 -17.236  -2.282  -5.700
  418    HB3  ALA  55           HB3      ALA  55 -17.873  -1.154  -4.504
  419    H    ALA  56           H        ALA  56 -15.522  -4.556  -5.023
  420    HA   ALA  56           HA       ALA  56 -12.835  -3.832  -4.528
  421    HB1  ALA  56           HB1      ALA  56 -12.805  -4.895  -7.095
  422    HB2  ALA  56           HB2      ALA  56 -14.265  -5.582  -6.383
  423    HB3  ALA  56           HB3      ALA  56 -12.704  -5.819  -5.596
  424    H    ASP  57           H        ASP  57 -15.087  -2.668  -7.009
  425    HA   ASP  57           HA       ASP  57 -14.845  -0.908  -8.554
  426    HB2  ASP  57           HB3      ASP  57 -13.018   0.052  -6.342
  427    HB3  ASP  57           HB2      ASP  57 -13.562   1.053  -7.686
  428    H    ASP  58           H        ASP  58 -13.378  -3.064  -9.320
  429    HA   ASP  58           HA       ASP  58 -10.561  -2.527  -9.611
  430    HB2  ASP  58           HB3      ASP  58 -11.584  -4.802  -9.750
  431    HB3  ASP  58           HB2      ASP  58 -12.302  -4.337 -11.291
  432    H    VAL  59           H        VAL  59  -9.734  -0.956 -10.855
  433    HA   VAL  59           HA       VAL  59 -11.032  -0.382 -13.484
  434    HB   VAL  59           HB       VAL  59 -10.531   2.002 -13.174
  435   HG11  VAL  59          HG11      VAL  59 -11.872   1.287 -10.601
  436   HG12  VAL  59          HG12      VAL  59 -12.608   0.710 -12.097
  437   HG13  VAL  59          HG13      VAL  59 -12.367   2.439 -11.842
  438   HG21  VAL  59          HG21      VAL  59  -9.797   2.729 -10.850
  439   HG22  VAL  59          HG22      VAL  59  -8.560   1.902 -11.798
  440   HG23  VAL  59          HG23      VAL  59  -9.420   1.037 -10.525
  441    H    GLU  60           H        GLU  60  -9.433   0.615 -15.044
  442    HA   GLU  60           HA       GLU  60  -7.024  -0.906 -15.144
  443    HB2  GLU  60           HB3      GLU  60  -8.123   0.189 -17.115
  444    HB3  GLU  60           HB2      GLU  60  -7.559   1.744 -16.515
  445    HG2  GLU  60           HG3      GLU  60  -5.228   0.885 -16.596
  446    HG3  GLU  60           HG2      GLU  60  -5.835  -0.603 -17.312
  447    H    LEU  61           H        LEU  61  -5.142  -0.620 -14.062
  448    HA   LEU  61           HA       LEU  61  -4.627   2.042 -12.810
  449    HB2  LEU  61           HB3      LEU  61  -3.675  -0.676 -11.864
  450    HB3  LEU  61           HB2      LEU  61  -3.440   0.864 -11.036
  451    HG   LEU  61           HG       LEU  61  -6.200   0.719 -11.528
  452   HD11  LEU  61          HD11      LEU  61  -5.083  -1.920 -10.537
  453   HD12  LEU  61          HD12      LEU  61  -6.016  -1.663 -12.011
  454   HD13  LEU  61          HD13      LEU  61  -6.780  -1.454 -10.435
  455   HD21  LEU  61          HD21      LEU  61  -5.246   1.717  -9.548
  456   HD22  LEU  61          HD22      LEU  61  -4.516   0.187  -9.065
  457   HD23  LEU  61          HD23      LEU  61  -6.268   0.381  -9.018
  458    H    SER  62           H        SER  62  -2.548   2.916 -13.057
  459    HA   SER  62           HA       SER  62  -0.862   1.549 -15.090
  460    HB2  SER  62           HB3      SER  62  -1.703   4.226 -14.800
  461    HB3  SER  62           HB2      SER  62   0.017   4.221 -14.419
  462    HG   SER  62           HG       SER  62  -1.290   3.747 -16.797
  463    HA   PRO  63           HA       PRO  63   2.317   0.609 -12.191
  464    HB2  PRO  63           HB2      PRO  63   4.576   1.324 -13.638
  465    HB3  PRO  63           HB3      PRO  63   3.692  -0.201 -13.826
  466    HG2  PRO  63           HG3      PRO  63   3.602   2.260 -15.482
  467    HG3  PRO  63           HG2      PRO  63   3.476   0.561 -15.968
  468    HD2  PRO  63           HD3      PRO  63   1.306   2.198 -15.811
  469    HD3  PRO  63           HD2      PRO  63   1.210   0.451 -15.499
  470    H    GLU  64           H        GLU  64   2.245   3.826 -13.574
  471    HA   GLU  64           HA       GLU  64   4.261   5.051 -11.975
  472    HB2  GLU  64           HB3      GLU  64   1.720   6.211 -13.125
  473    HB3  GLU  64           HB2      GLU  64   3.029   7.166 -12.445
  474    HG2  GLU  64           HG3      GLU  64   4.578   6.171 -14.102
  475    HG3  GLU  64           HG2      GLU  64   3.224   5.300 -14.812
  476    H    HIS  65           H        HIS  65   0.906   4.233 -11.303
  477    HA   HIS  65           HA       HIS  65   0.664   5.798  -8.898
  478    HB2  HIS  65           HB3      HIS  65  -1.295   4.887 -10.101
  479    HB3  HIS  65           HB2      HIS  65  -0.781   3.251  -9.688
  480    HD1  HIS  65           HD1      HIS  65  -1.476   6.504  -7.794
  481    HD2  HIS  65           HD2      HIS  65  -1.959   2.383  -7.355
  482    HE1  HIS  65           HE1      HIS  65  -2.663   6.150  -5.581
  483    HE2  HIS  65           HE2      HIS  65  -2.958   3.647  -5.304
  484    H    PHE  66           H        PHE  66   2.087   2.686  -9.611
  485    HA   PHE  66           HA       PHE  66   2.374   2.103  -6.710
  486    HB2  PHE  66           HB3      PHE  66   3.078   0.428  -9.141
  487    HB3  PHE  66           HB2      PHE  66   3.167  -0.109  -7.463
  488    HD1  PHE  66           HD1      PHE  66   1.088  -0.294  -6.091
  489    HD2  PHE  66           HD2      PHE  66   0.979   0.570 -10.297
  490    HE1  PHE  66           HE1      PHE  66  -1.321  -0.877  -6.148
  491    HE2  PHE  66           HE2      PHE  66  -1.430  -0.015 -10.355
  492    HZ   PHE  66           HZ       PHE  66  -2.580  -0.736  -8.280
  493    H    ARG  67           H        ARG  67   3.947   3.970  -8.812
  494    HA   ARG  67           HA       ARG  67   6.641   3.135  -8.835
  495    HB2  ARG  67           HB3      ARG  67   5.790   5.060 -10.126
  496    HB3  ARG  67           HB2      ARG  67   5.558   5.962  -8.634
  497    HG2  ARG  67           HG3      ARG  67   7.642   6.685  -9.590
  498    HG3  ARG  67           HG2      ARG  67   8.030   5.684  -8.198
  499    HD2  ARG  67           HD3      ARG  67   8.642   3.831  -9.561
  500    HD3  ARG  67           HD2      ARG  67   7.879   4.536 -10.988
  501    HE   ARG  67           HE       ARG  67   9.894   5.683 -11.367
  502   HH11  ARG  67          HH22      ARG  67   9.537   4.815  -8.048
  503   HH12  ARG  67          HH21      ARG  67  11.073   5.460  -7.578
  504   HH21  ARG  67          HH11      ARG  67  11.905   6.519 -10.772
  505   HH22  ARG  67          HH12      ARG  67  12.417   6.418  -9.121
  506    H    SER  68           H        SER  68   4.824   4.856  -6.305
  507    HA   SER  68           HA       SER  68   7.070   4.228  -4.445
  508    HB2  SER  68           HB3      SER  68   6.949   6.439  -3.448
  509    HB3  SER  68           HB2      SER  68   7.216   6.621  -5.180
  510    HG   SER  68           HG       SER  68   5.498   7.940  -4.175
  511    H    ILE  69           H        ILE  69   6.392   4.056  -2.204
  512    HA   ILE  69           HA       ILE  69   3.868   2.793  -1.834
  513    HB   ILE  69           HB       ILE  69   5.720   4.051   0.210
  514   HG12  ILE  69          HG13      ILE  69   5.479   1.174  -0.677
  515   HG13  ILE  69          HG12      ILE  69   6.705   2.280  -1.276
  516   HG21  ILE  69          HG21      ILE  69   4.623   2.357   1.711
  517   HG22  ILE  69          HG22      ILE  69   3.442   2.088   0.432
  518   HG23  ILE  69          HG23      ILE  69   3.566   3.671   1.199
  519   HD11  ILE  69          HD11      ILE  69   7.917   2.171   0.642
  520   HD12  ILE  69          HD12      ILE  69   7.001   0.694   0.941
  521   HD13  ILE  69          HD13      ILE  69   6.475   2.218   1.657
  522    H    ARG  70           H        ARG  70   4.943   6.131  -1.303
  523    HA   ARG  70           HA       ARG  70   2.664   7.044   0.136
  524    HB2  ARG  70           HB3      ARG  70   4.470   8.535  -1.791
  525    HB3  ARG  70           HB2      ARG  70   3.312   9.304  -0.703
  526    HG2  ARG  70           HG3      ARG  70   4.471   8.200   1.225
  527    HG3  ARG  70           HG2      ARG  70   5.687   7.599   0.098
  528    HD2  ARG  70           HD3      ARG  70   5.026  10.508   0.634
  529    HD3  ARG  70           HD2      ARG  70   6.490   9.662   1.133
  530    HE   ARG  70           HE       ARG  70   6.531   9.310  -1.575
  531   HH11  ARG  70          HH22      ARG  70   5.982  12.020   0.483
  532   HH12  ARG  70          HH21      ARG  70   6.633  13.171  -0.636
  533   HH21  ARG  70          HH11      ARG  70   7.383  10.797  -3.050
  534   HH22  ARG  70          HH12      ARG  70   7.426  12.478  -2.636
  535    H    SER  71           H        SER  71   3.220   6.708  -3.361
  536    HA   SER  71           HA       SER  71   0.921   8.110  -4.254
  537    HB2  SER  71           HB3      SER  71   2.178   5.637  -5.476
  538    HB3  SER  71           HB2      SER  71   1.143   6.793  -6.304
  539    HG   SER  71           HG       SER  71   3.782   7.053  -5.397
  540    H    ILE  72           H        ILE  72   1.320   4.719  -3.248
  541    HA   ILE  72           HA       ILE  72  -1.326   3.865  -3.861
  542    HB   ILE  72           HB       ILE  72   0.552   2.912  -1.675
  543   HG12  ILE  72          HG13      ILE  72   0.124   1.852  -4.487
  544   HG13  ILE  72          HG12      ILE  72   1.479   2.879  -4.013
  545   HG21  ILE  72          HG21      ILE  72  -1.133   1.542  -1.108
  546   HG22  ILE  72          HG22      ILE  72  -1.052   0.836  -2.722
  547   HG23  ILE  72          HG23      ILE  72  -2.138   2.188  -2.403
  548   HD11  ILE  72          HD11      ILE  72   0.859   0.063  -3.135
  549   HD12  ILE  72          HD12      ILE  72   1.897   1.106  -2.164
  550   HD13  ILE  72          HD13      ILE  72   2.355   0.700  -3.818
  551    H    ASP  73           H        ASP  73   0.092   5.390  -0.991
  552    HA   ASP  73           HA       ASP  73  -2.140   5.159   0.742
  553    HB2  ASP  73           HB3      ASP  73   0.169   6.004   1.353
  554    HB3  ASP  73           HB2      ASP  73  -0.269   7.536   0.596
  555    H    ALA  74           H        ALA  74  -1.423   7.498  -1.820
  556    HA   ALA  74           HA       ALA  74  -3.525   9.333  -1.258
  557    HB1  ALA  74           HB1      ALA  74  -1.639   9.641  -2.935
  558    HB2  ALA  74           HB2      ALA  74  -3.235  10.120  -3.512
  559    HB3  ALA  74           HB3      ALA  74  -2.539   8.582  -4.022
  560    H    PHE  75           H        PHE  75  -3.465   6.327  -3.149
  561    HA   PHE  75           HA       PHE  75  -6.129   6.511  -4.168
  562    HB2  PHE  75           HB3      PHE  75  -4.437   4.852  -4.942
  563    HB3  PHE  75           HB2      PHE  75  -4.622   4.002  -3.412
  564    HD1  PHE  75           HD1      PHE  75  -6.340   4.995  -6.538
  565    HD2  PHE  75           HD2      PHE  75  -6.561   2.652  -2.944
  566    HE1  PHE  75           HE1      PHE  75  -8.322   3.805  -7.435
  567    HE2  PHE  75           HE2      PHE  75  -8.543   1.462  -3.841
  568    HZ   PHE  75           HZ       PHE  75  -9.423   2.038  -6.087
  569    H    VAL  76           H        VAL  76  -4.858   5.020  -1.189
  570    HA   VAL  76           HA       VAL  76  -7.375   4.078  -0.226
  571    HB   VAL  76           HB       VAL  76  -4.812   4.845   1.191
  572   HG11  VAL  76          HG11      VAL  76  -6.550   5.056   2.820
  573   HG12  VAL  76          HG12      VAL  76  -5.819   3.472   3.076
  574   HG13  VAL  76          HG13      VAL  76  -7.363   3.605   2.235
  575   HG21  VAL  76          HG21      VAL  76  -4.676   2.907  -0.328
  576   HG22  VAL  76          HG22      VAL  76  -6.071   2.178   0.467
  577   HG23  VAL  76          HG23      VAL  76  -4.560   2.384   1.353
  578    H    VAL  77           H        VAL  77  -5.620   7.137   0.297
  579    HA   VAL  77           HA       VAL  77  -7.426   8.266   2.177
  580    HB   VAL  77           HB       VAL  77  -5.594   9.516   0.121
  581   HG11  VAL  77          HG11      VAL  77  -7.601  10.702   1.938
  582   HG12  VAL  77          HG12      VAL  77  -6.888  11.357   0.465
  583   HG13  VAL  77          HG13      VAL  77  -6.005  11.447   1.989
  584   HG21  VAL  77          HG21      VAL  77  -3.990   9.362   1.723
  585   HG22  VAL  77          HG22      VAL  77  -5.056   8.181   2.483
  586   HG23  VAL  77          HG23      VAL  77  -5.099   9.867   2.998
  587    H    GLY  78           H        GLY  78  -7.374   8.338  -1.371
  588    HA2  GLY  78           HA3      GLY  78  -9.553  10.138  -1.728
  589    HA3  GLY  78           HA2      GLY  78  -9.027   8.946  -2.914
  590    H    ALA  79           H        ALA  79  -9.514   6.668  -1.043
  591    HA   ALA  79           HA       ALA  79 -12.458   6.579  -1.430
  592    HB1  ALA  79           HB1      ALA  79 -12.275   4.227  -1.523
  593    HB2  ALA  79           HB2      ALA  79 -10.714   4.233  -0.703
  594    HB3  ALA  79           HB3      ALA  79 -10.838   4.800  -2.368
  595    H    THR  80           H        THR  80 -10.032   5.666   1.022
  596    HA   THR  80           HA       THR  80 -12.138   6.135   3.097
  597    HB   THR  80           HB       THR  80 -11.366   4.260   4.355
  598    HG1  THR  80           HG1      THR  80  -9.167   4.485   2.637
  599   HG21  THR  80          HG21      THR  80 -11.100   3.150   1.581
  600   HG22  THR  80          HG22      THR  80 -12.629   3.873   2.081
  601   HG23  THR  80          HG23      THR  80 -11.975   2.495   2.965
  602    H    THR  81           H        THR  81 -11.277   6.978   5.129
  603    HA   THR  81           HA       THR  81  -8.460   7.912   4.989
  604    HB   THR  81           HB       THR  81  -9.596   9.821   4.180
  605    HG1  THR  81           HG1      THR  81  -8.507   9.820   6.559
  606   HG21  THR  81          HG21      THR  81 -11.594  10.667   5.709
  607   HG22  THR  81          HG22      THR  81 -11.701   8.956   6.122
  608   HG23  THR  81          HG23      THR  81 -11.866   9.469   4.443
  609    HA   PRO  82           HA       PRO  82  -9.415   6.073   9.129
  610    HB2  PRO  82           HB2      PRO  82  -6.501   5.603   9.075
  611    HB3  PRO  82           HB3      PRO  82  -7.818   4.451   9.351
  612    HG2  PRO  82           HG3      PRO  82  -6.370   4.470   7.094
  613    HG3  PRO  82           HG2      PRO  82  -8.082   4.017   7.125
  614    HD2  PRO  82           HD3      PRO  82  -6.827   6.573   6.196
  615    HD3  PRO  82           HD2      PRO  82  -8.246   5.712   5.557
  616    HA   PRO  83           HA       PRO  83  -7.830   9.163  11.886
  617    HB2  PRO  83           HB2      PRO  83  -5.926   7.385  13.292
  618    HB3  PRO  83           HB3      PRO  83  -7.344   8.239  13.924
  619    HG2  PRO  83           HG3      PRO  83  -7.316   5.583  13.571
  620    HG3  PRO  83           HG2      PRO  83  -8.782   6.555  13.357
  621    HD2  PRO  83           HD3      PRO  83  -6.995   5.357  11.276
  622    HD3  PRO  83           HD2      PRO  83  -8.759   5.576  11.257
  623    H    VAL  84           H        VAL  84  -6.084  10.672  12.135
  624    HA   VAL  84           HA       VAL  84  -3.888  10.245  10.212
  625    HB   VAL  84           HB       VAL  84  -3.464  12.591  10.423
  626   HG11  VAL  84          HG11      VAL  84  -6.361  12.857  10.829
  627   HG12  VAL  84          HG12      VAL  84  -5.930  11.586   9.685
  628   HG13  VAL  84          HG13      VAL  84  -5.385  13.241   9.411
  629   HG21  VAL  84          HG21      VAL  84  -4.818  13.879  12.212
  630   HG22  VAL  84          HG22      VAL  84  -3.427  12.948  12.767
  631   HG23  VAL  84          HG23      VAL  84  -5.056  12.306  12.975
  632    H    GLU  85           H        GLU  85  -1.889   9.630  10.815
  633    HA   GLU  85           HA       GLU  85  -0.990  10.153  13.599
  634    HB2  GLU  85           HB3      GLU  85  -0.739   7.498  12.150
  635    HB3  GLU  85           HB2      GLU  85  -0.045   7.871  13.729
  636    HG2  GLU  85           HG3      GLU  85  -2.331   8.334  14.595
  637    HG3  GLU  85           HG2      GLU  85  -2.996   7.865  13.030
  638    H    ALA  86           H        ALA  86   1.386  10.166  13.774
  639    HA   ALA  86           HA       ALA  86   2.633  11.311  11.416
  640    HB1  ALA  86           HB1      ALA  86   4.371  11.880  12.822
  641    HB2  ALA  86           HB2      ALA  86   4.298  10.353  13.701
  642    HB3  ALA  86           HB3      ALA  86   3.117  11.620  14.034
  643    H    LYS  87           H        LYS  87   3.650  10.202   9.812
  644    HA   LYS  87           HA       LYS  87   3.743   7.360   9.721
  645    HB2  LYS  87           HB3      LYS  87   3.856   8.876   7.725
  646    HB3  LYS  87           HB2      LYS  87   5.512   9.282   8.181
  647    HG2  LYS  87           HG3      LYS  87   6.124   6.881   8.036
  648    HG3  LYS  87           HG2      LYS  87   4.478   6.507   7.523
  649    HD2  LYS  87           HD3      LYS  87   4.789   8.069   5.584
  650    HD3  LYS  87           HD2      LYS  87   6.477   8.256   6.062
  651    HE2  LYS  87           HE3      LYS  87   5.103   5.683   5.233
  652    HE3  LYS  87           HE2      LYS  87   6.355   6.547   4.340
  653    HZ1  LYS  87           HZ1      LYS  87   6.614   5.146   6.938
  654    HZ2  LYS  87           HZ2      LYS  87   7.790   6.221   6.356
  655    HZ3  LYS  87           HZ3      LYS  87   7.426   4.809   5.484
  656    H    LEU  88           H        LEU  88   6.173   9.750  10.695
  657    HA   LEU  88           HA       LEU  88   8.382   7.970  10.950
  658    HB2  LEU  88           HB3      LEU  88   7.757  10.411  12.642
  659    HB3  LEU  88           HB2      LEU  88   9.341   9.664  12.436
  660    HG   LEU  88           HG       LEU  88   7.675  10.957  10.256
  661   HD11  LEU  88          HD11      LEU  88   9.975  11.809  11.950
  662   HD12  LEU  88          HD12      LEU  88   8.663  12.772  11.270
  663   HD13  LEU  88          HD13      LEU  88  10.014  12.277  10.251
  664   HD21  LEU  88          HD21      LEU  88   8.810   9.271   9.110
  665   HD22  LEU  88          HD22      LEU  88  10.169   9.282  10.235
  666   HD23  LEU  88          HD23      LEU  88   9.994  10.577   9.050
  667    H    GLN  89           H        GLN  89   5.696   8.701  13.130
  668    HA   GLN  89           HA       GLN  89   5.059   7.701  15.157
  669    HB2  GLN  89           HB3      GLN  89   6.554   5.393  13.876
  670    HB3  GLN  89           HB2      GLN  89   5.520   5.248  15.297
  671    HG2  GLN  89           HG3      GLN  89   3.597   6.066  14.006
  672    HG3  GLN  89           HG2      GLN  89   4.622   6.265  12.585
  673   HE21  GLN  89          HE22      GLN  89   2.354   4.508  12.550
  674   HE22  GLN  89          HE21      GLN  89   2.918   2.913  12.411
  675    H1   PN7 101           3HO      SAT  38   0.810  -3.975 -11.989
  676    H2   PN7 101           1H1      SAT  38  -1.421  -4.475 -12.172
  677    H3   PN7 101           2H1      SAT  38  -2.625  -4.038 -13.385
  678    H5   PN7 101          3HE1      SAT  38  -0.610  -1.065 -13.075
  679    H6   PN7 101          1HE1      SAT  38   0.136  -2.188 -11.939
  680    H7   PN7 101          2HE1      SAT  38  -1.621  -2.077 -12.043
  681    H8   PN7 101          2HE2      SAT  38  -0.649  -1.702 -15.287
  682    H9   PN7 101          3HE2      SAT  38  -2.272  -2.226 -14.840
  683    H10  PN7 101          1HE2      SAT  38  -1.218  -3.304 -15.756
  684    H11  PN7 101           3H       SAT  38   0.751  -4.226 -14.803
  685    H12  PN7 101           5H       SAT  38   2.417  -1.799 -12.322
  686    H13  PN7 101           2H6      SAT  38   4.583  -2.679 -12.511
  687    H14  PN7 101           1H6      SAT  38   4.399  -2.405 -14.243
  688    H15  PN7 101           1H7      SAT  38   4.784  -4.746 -14.021
  689    H16  PN7 101           2H7      SAT  38   3.047  -4.588 -14.283
  690    H17  PN7 101           9H       SAT  38   2.003  -6.069 -12.927
  691    H18  PN7 101          2H10      SAT  38   1.964  -7.045 -10.555
  692    H19  PN7 101          1H10      SAT  38   3.723  -7.018 -10.674
  693    H20  PN7 101          1H11      SAT  38   3.716  -8.647 -12.440
  694    H21  PN7 101          2H11      SAT  38   1.966  -8.533 -12.618
  695    H22  PN7 101          2HS1      SAT  38   1.690  -9.708 -10.303
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1   1.818  14.748   2.164
    2    H2   MET   1           H2       MET   1   1.461  14.327   0.557
    3    H3   MET   1           H3       MET   1   3.063  14.259   1.121
    4    HA   MET   1           HA       MET   1   1.477  12.135   0.957
    5    HB2  MET   1           HB3      MET   1   3.723  12.814   2.850
    6    HB3  MET   1           HB2      MET   1   3.004  11.203   2.822
    7    HG2  MET   1           HG3      MET   1   3.461  11.068   0.385
    8    HG3  MET   1           HG2      MET   1   4.251  12.643   0.465
    9    HE1  MET   1           HE1      MET   1   5.850  12.222   3.541
   10    HE2  MET   1           HE2      MET   1   5.866  13.248   2.109
   11    HE3  MET   1           HE3      MET   1   7.286  12.278   2.523
   12    H    GLN   2           H        GLN   2  -0.643  12.267   1.697
   13    HA   GLN   2           HA       GLN   2  -1.071  12.826   4.586
   14    HB2  GLN   2           HB3      GLN   2  -2.543  13.932   2.879
   15    HB3  GLN   2           HB2      GLN   2  -3.120  12.335   2.402
   16    HG2  GLN   2           HG3      GLN   2  -3.938  11.931   4.687
   17    HG3  GLN   2           HG2      GLN   2  -3.340  13.514   5.187
   18   HE21  GLN   2          HE22      GLN   2  -6.040  13.145   5.540
   19   HE22  GLN   2          HE21      GLN   2  -6.928  13.982   4.360
   20    H    HIS   3           H        HIS   3  -1.031  11.077   5.915
   21    HA   HIS   3           HA       HIS   3  -1.209   8.849   6.641
   22    HB2  HIS   3           HB3      HIS   3  -3.337   8.644   4.491
   23    HB3  HIS   3           HB2      HIS   3  -3.197   7.663   5.950
   24    HD1  HIS   3           HD1      HIS   3  -5.776   9.274   5.484
   25    HD2  HIS   3           HD2      HIS   3  -2.508  10.747   7.618
   26    HE1  HIS   3           HE1      HIS   3  -6.667  11.114   6.984
   27    HE2  HIS   3           HE2      HIS   3  -4.686  12.015   8.286
   28    H    ALA   4           H        ALA   4   0.179   9.716   3.908
   29    HA   ALA   4           HA       ALA   4   0.272   7.366   2.278
   30    HB1  ALA   4           HB1      ALA   4   1.732   8.567   1.016
   31    HB2  ALA   4           HB2      ALA   4   2.742   8.972   2.403
   32    HB3  ALA   4           HB3      ALA   4   1.281   9.904   2.074
   33    H    SER   5           H        SER   5   2.053   8.347   5.156
   34    HA   SER   5           HA       SER   5   4.154   6.435   5.014
   35    HB2  SER   5           HB3      SER   5   4.473   6.852   7.368
   36    HB3  SER   5           HB2      SER   5   4.008   8.374   6.616
   37    HG   SER   5           HG       SER   5   2.881   7.626   8.635
   38    H    VAL   6           H        VAL   6   0.806   6.124   6.081
   39    HA   VAL   6           HA       VAL   6   1.076   3.625   7.442
   40    HB   VAL   6           HB       VAL   6  -1.252   4.823   5.936
   41   HG11  VAL   6          HG11      VAL   6  -2.587   3.134   7.296
   42   HG12  VAL   6          HG12      VAL   6  -1.055   2.328   7.636
   43   HG13  VAL   6          HG13      VAL   6  -1.635   2.455   5.975
   44   HG21  VAL   6          HG21      VAL   6  -1.679   4.591   8.735
   45   HG22  VAL   6          HG22      VAL   6  -1.468   6.071   7.799
   46   HG23  VAL   6          HG23      VAL   6  -0.069   5.274   8.518
   47    H    ILE   7           H        ILE   7   0.454   4.410   4.043
   48    HA   ILE   7           HA       ILE   7   0.081   1.739   3.128
   49    HB   ILE   7           HB       ILE   7   1.262   4.109   1.652
   50   HG12  ILE   7          HG13      ILE   7  -1.593   3.090   1.722
   51   HG13  ILE   7          HG12      ILE   7  -1.013   4.437   2.701
   52   HG21  ILE   7          HG21      ILE   7  -0.016   1.540   0.664
   53   HG22  ILE   7          HG22      ILE   7   1.684   1.982   0.502
   54   HG23  ILE   7          HG23      ILE   7   0.448   2.899  -0.361
   55   HD11  ILE   7          HD11      ILE   7  -0.358   4.588  -0.183
   56   HD12  ILE   7          HD12      ILE   7  -0.897   5.855   0.920
   57   HD13  ILE   7          HD13      ILE   7  -2.069   4.739   0.217
   58    H    ALA   8           H        ALA   8   3.029   3.702   3.479
   59    HA   ALA   8           HA       ALA   8   4.804   1.791   2.305
   60    HB1  ALA   8           HB1      ALA   8   6.396   3.035   4.122
   61    HB2  ALA   8           HB2      ALA   8   5.067   4.191   4.022
   62    HB3  ALA   8           HB3      ALA   8   5.959   3.745   2.568
   63    H    GLN   9           H        GLN   9   3.961   2.379   5.727
   64    HA   GLN   9           HA       GLN   9   5.487   0.119   6.661
   65    HB2  GLN   9           HB3      GLN   9   4.836   0.749   8.767
   66    HB3  GLN   9           HB2      GLN   9   4.443   2.245   7.927
   67    HG2  GLN   9           HG3      GLN   9   2.491   1.782   9.150
   68    HG3  GLN   9           HG2      GLN   9   2.119   1.169   7.544
   69   HE21  GLN   9          HE22      GLN   9   0.860  -0.685   7.943
   70   HE22  GLN   9          HE21      GLN   9   1.322  -1.950   8.976
   71    H    PHE  10           H        PHE  10   2.163   0.566   5.604
   72    HA   PHE  10           HA       PHE  10   1.246  -2.034   6.481
   73    HB2  PHE  10           HB3      PHE  10  -0.244  -0.072   5.969
   74    HB3  PHE  10           HB2      PHE  10   0.125  -0.305   4.261
   75    HD1  PHE  10           HD2      PHE  10  -1.470  -1.818   7.239
   76    HD2  PHE  10           HD1      PHE  10  -0.822  -2.131   3.005
   77    HE1  PHE  10           HE2      PHE  10  -3.226  -3.562   7.100
   78    HE2  PHE  10           HE1      PHE  10  -2.579  -3.875   2.865
   79    HZ   PHE  10           HZ       PHE  10  -3.781  -4.589   4.913
   80    H    VAL  11           H        VAL  11   2.173  -0.751   3.280
   81    HA   VAL  11           HA       VAL  11   1.969  -3.295   1.954
   82    HB   VAL  11           HB       VAL  11   2.022  -0.925   0.920
   83   HG11  VAL  11          HG11      VAL  11   4.995  -1.472   0.883
   84   HG12  VAL  11          HG12      VAL  11   4.245  -0.415   2.080
   85   HG13  VAL  11          HG13      VAL  11   4.154  -0.011   0.367
   86   HG21  VAL  11          HG21      VAL  11   3.583  -3.272  -0.181
   87   HG22  VAL  11          HG22      VAL  11   3.209  -1.841  -1.140
   88   HG23  VAL  11          HG23      VAL  11   1.904  -2.846  -0.509
   89    H    VAL  12           H        VAL  12   4.713  -1.546   3.406
   90    HA   VAL  12           HA       VAL  12   6.718  -3.427   2.606
   91    HB   VAL  12           HB       VAL  12   6.652  -1.572   4.993
   92   HG11  VAL  12          HG11      VAL  12   9.090  -1.822   4.997
   93   HG12  VAL  12          HG12      VAL  12   8.994  -2.932   3.630
   94   HG13  VAL  12          HG13      VAL  12   8.329  -3.398   5.192
   95   HG21  VAL  12          HG21      VAL  12   6.520  -0.794   2.435
   96   HG22  VAL  12          HG22      VAL  12   8.259  -1.070   2.528
   97   HG23  VAL  12          HG23      VAL  12   7.489   0.084   3.617
   98    H    GLU  13           H        GLU  13   4.552  -3.286   5.393
   99    HA   GLU  13           HA       GLU  13   5.739  -5.267   7.011
  100    HB2  GLU  13           HB3      GLU  13   3.776  -3.875   7.667
  101    HB3  GLU  13           HB2      GLU  13   2.779  -4.846   6.592
  102    HG2  GLU  13           HG3      GLU  13   3.435  -6.881   7.863
  103    HG3  GLU  13           HG2      GLU  13   4.328  -5.852   8.980
  104    H    GLU  14           H        GLU  14   3.792  -5.604   4.101
  105    HA   GLU  14           HA       GLU  14   3.269  -8.414   4.358
  106    HB2  GLU  14           HB3      GLU  14   3.492  -6.660   1.894
  107    HB3  GLU  14           HB2      GLU  14   2.884  -8.315   1.886
  108    HG2  GLU  14           HG3      GLU  14   1.710  -6.043   3.517
  109    HG3  GLU  14           HG2      GLU  14   1.042  -6.649   2.002
  110    H    PHE  15           H        PHE  15   6.036  -6.591   3.171
  111    HA   PHE  15           HA       PHE  15   7.528  -9.158   2.988
  112    HB2  PHE  15           HB3      PHE  15   8.498  -8.567   0.848
  113    HB3  PHE  15           HB2      PHE  15   6.743  -8.490   0.692
  114    HD1  PHE  15           HD1      PHE  15   5.593  -6.230   0.918
  115    HD2  PHE  15           HD2      PHE  15   9.844  -6.648   0.466
  116    HE1  PHE  15           HE1      PHE  15   5.754  -3.854   0.226
  117    HE2  PHE  15           HE2      PHE  15  10.004  -4.271  -0.222
  118    HZ   PHE  15           HZ       PHE  15   7.959  -2.874  -0.342
  119    H    LEU  16           H        LEU  16   7.684  -7.321   5.108
  120    HA   LEU  16           HA       LEU  16   9.898  -5.503   4.619
  121    HB2  LEU  16           HB3      LEU  16   9.468  -4.624   6.678
  122    HB3  LEU  16           HB2      LEU  16   7.925  -5.403   6.411
  123    HG   LEU  16           HG       LEU  16  10.243  -6.571   7.992
  124   HD11  LEU  16          HD11      LEU  16   9.370  -4.984   9.420
  125   HD12  LEU  16          HD12      LEU  16   8.311  -6.345   9.785
  126   HD13  LEU  16          HD13      LEU  16   7.762  -5.066   8.702
  127   HD21  LEU  16          HD21      LEU  16   9.110  -8.543   8.080
  128   HD22  LEU  16          HD22      LEU  16   8.210  -7.950   6.688
  129   HD23  LEU  16          HD23      LEU  16   7.563  -7.730   8.308
  130    HA   PRO  17           HA       PRO  17  12.954  -8.674   5.479
  131    HB2  PRO  17           HB2      PRO  17  15.180  -7.118   5.333
  132    HB3  PRO  17           HB3      PRO  17  14.257  -7.571   3.890
  133    HG2  PRO  17           HG3      PRO  17  14.232  -5.019   5.422
  134    HG3  PRO  17           HG2      PRO  17  14.201  -5.284   3.672
  135    HD2  PRO  17           HD3      PRO  17  11.964  -4.711   5.162
  136    HD3  PRO  17           HD2      PRO  17  11.930  -5.616   3.633
  137    H    ASP  18           H        ASP  18  15.384  -7.794   6.928
  138    HA   ASP  18           HA       ASP  18  14.297  -7.896   9.632
  139    HB2  ASP  18           HB3      ASP  18  16.643  -7.988  10.320
  140    HB3  ASP  18           HB2      ASP  18  16.381  -9.101   8.982
  141    H    VAL  19           H        VAL  19  14.198  -5.471   7.614
  142    HA   VAL  19           HA       VAL  19  15.193  -3.411   9.546
  143    HB   VAL  19           HB       VAL  19  14.608  -3.094   6.588
  144   HG11  VAL  19          HG11      VAL  19  16.207  -1.059   7.128
  145   HG12  VAL  19          HG12      VAL  19  15.620  -1.303   8.774
  146   HG13  VAL  19          HG13      VAL  19  14.481  -0.947   7.475
  147   HG21  VAL  19          HG21      VAL  19  16.505  -4.475   6.609
  148   HG22  VAL  19          HG22      VAL  19  17.110  -3.786   8.116
  149   HG23  VAL  19          HG23      VAL  19  17.223  -2.865   6.616
  150    H    ALA  20           H        ALA  20  13.709  -1.957  10.364
  151    HA   ALA  20           HA       ALA  20  10.894  -2.509  10.001
  152    HB1  ALA  20           HB1      ALA  20  12.080  -0.023  11.246
  153    HB2  ALA  20           HB2      ALA  20  12.007  -1.566  12.098
  154    HB3  ALA  20           HB3      ALA  20  10.518  -0.766  11.594
  155    HA   PRO  21           HA       PRO  21  10.144  -0.111   6.285
  156    HB2  PRO  21           HB2      PRO  21   7.715   0.864   7.714
  157    HB3  PRO  21           HB3      PRO  21   7.860   0.136   6.104
  158    HG2  PRO  21           HG3      PRO  21   6.902  -1.216   8.210
  159    HG3  PRO  21           HG2      PRO  21   7.822  -1.993   6.913
  160    HD2  PRO  21           HD3      PRO  21   8.645  -1.428   9.704
  161    HD3  PRO  21           HD2      PRO  21   9.249  -2.648   8.559
  162    H    ALA  22           H        ALA  22   9.858   1.374   9.474
  163    HA   ALA  22           HA       ALA  22   9.876   4.111   8.588
  164    HB1  ALA  22           HB1      ALA  22  10.268   2.665  11.151
  165    HB2  ALA  22           HB2      ALA  22   9.277   4.081  10.797
  166    HB3  ALA  22           HB3      ALA  22  11.014   4.260  11.046
  167    H    ASP  23           H        ASP  23  12.331   1.694   8.876
  168    HA   ASP  23           HA       ASP  23  14.497   3.717   8.697
  169    HB2  ASP  23           HB3      ASP  23  14.557   0.705   9.055
  170    HB3  ASP  23           HB2      ASP  23  15.998   1.715   8.925
  171    H    VAL  24           H        VAL  24  12.435   2.317   6.623
  172    HA   VAL  24           HA       VAL  24  14.480   1.856   4.500
  173    HB   VAL  24           HB       VAL  24  11.524   1.168   4.499
  174   HG11  VAL  24          HG11      VAL  24  12.367   1.434   2.250
  175   HG12  VAL  24          HG12      VAL  24  12.254  -0.296   2.575
  176   HG13  VAL  24          HG13      VAL  24  13.821   0.511   2.634
  177   HG21  VAL  24          HG21      VAL  24  12.769  -0.128   6.191
  178   HG22  VAL  24          HG22      VAL  24  13.963  -0.577   4.973
  179   HG23  VAL  24          HG23      VAL  24  12.303  -1.158   4.837
  180    H    ASP  25           H        ASP  25  14.533   3.235   2.737
  181    HA   ASP  25           HA       ASP  25  13.281   5.801   2.965
  182    HB2  ASP  25           HB3      ASP  25  14.582   4.430   0.594
  183    HB3  ASP  25           HB2      ASP  25  14.096   6.125   0.612
  184    H    VAL  26           H        VAL  26  11.035   5.675   3.055
  185    HA   VAL  26           HA       VAL  26   9.397   4.000   1.431
  186    HB   VAL  26           HB       VAL  26   7.558   5.426   2.100
  187   HG11  VAL  26          HG11      VAL  26   9.718   5.217   4.217
  188   HG12  VAL  26          HG12      VAL  26   8.431   4.056   3.893
  189   HG13  VAL  26          HG13      VAL  26   8.041   5.639   4.566
  190   HG21  VAL  26          HG21      VAL  26   7.958   7.652   1.907
  191   HG22  VAL  26          HG22      VAL  26   9.695   7.443   2.128
  192   HG23  VAL  26          HG23      VAL  26   8.632   7.535   3.532
  193    H    ASP  27           H        ASP  27  11.501   6.218   0.314
  194    HA   ASP  27           HA       ASP  27   9.748   7.352  -1.787
  195    HB2  ASP  27           HB3      ASP  27  12.694   7.737  -1.165
  196    HB3  ASP  27           HB2      ASP  27  11.846   8.538  -2.489
  197    H    LEU  28           H        LEU  28  10.961   4.447  -1.338
  198    HA   LEU  28           HA       LEU  28  12.308   4.055  -3.934
  199    HB2  LEU  28           HB3      LEU  28  13.049   2.856  -1.862
  200    HB3  LEU  28           HB2      LEU  28  11.504   2.012  -1.843
  201    HG   LEU  28           HG       LEU  28  12.170   1.423  -4.345
  202   HD11  LEU  28          HD11      LEU  28  14.572   1.155  -4.628
  203   HD12  LEU  28          HD12      LEU  28  14.864   1.778  -3.004
  204   HD13  LEU  28          HD13      LEU  28  14.222   2.842  -4.255
  205   HD21  LEU  28          HD21      LEU  28  13.052   0.171  -1.758
  206   HD22  LEU  28          HD22      LEU  28  13.538  -0.558  -3.289
  207   HD23  LEU  28          HD23      LEU  28  11.826  -0.384  -2.899
  208    H    ASP  29           H        ASP  29  11.301   3.226  -5.727
  209    HA   ASP  29           HA       ASP  29   8.435   3.098  -5.825
  210    HB2  ASP  29           HB3      ASP  29  10.564   2.027  -7.706
  211    HB3  ASP  29           HB2      ASP  29   8.840   2.015  -8.075
  212    H    LEU  30           H        LEU  30   7.192   1.464  -5.016
  213    HA   LEU  30           HA       LEU  30   8.426  -0.988  -4.075
  214    HB2  LEU  30           HB3      LEU  30   6.117  -1.634  -3.448
  215    HB3  LEU  30           HB2      LEU  30   6.505  -0.006  -2.892
  216    HG   LEU  30           HG       LEU  30   5.443   0.101  -5.573
  217   HD11  LEU  30          HD11      LEU  30   3.094  -0.601  -4.877
  218   HD12  LEU  30          HD12      LEU  30   3.840  -1.405  -3.495
  219   HD13  LEU  30          HD13      LEU  30   4.235  -1.921  -5.135
  220   HD21  LEU  30          HD21      LEU  30   3.986   1.737  -4.580
  221   HD22  LEU  30          HD22      LEU  30   5.549   1.892  -3.777
  222   HD23  LEU  30          HD23      LEU  30   4.223   1.055  -2.971
  223    H    VAL  31           H        VAL  31   7.882  -0.079  -7.127
  224    HA   VAL  31           HA       VAL  31   6.344  -2.101  -8.352
  225    HB   VAL  31           HB       VAL  31   7.460  -0.057  -9.445
  226   HG11  VAL  31          HG11      VAL  31   9.687  -0.269 -10.241
  227   HG12  VAL  31          HG12      VAL  31   9.735  -1.996  -9.885
  228   HG13  VAL  31          HG13      VAL  31   9.758  -0.823  -8.568
  229   HG21  VAL  31          HG21      VAL  31   6.953  -2.745 -10.502
  230   HG22  VAL  31          HG22      VAL  31   8.084  -1.823 -11.492
  231   HG23  VAL  31          HG23      VAL  31   6.478  -1.177 -11.154
  232    H    ASP  32           H        ASP  32   9.721  -2.154  -7.283
  233    HA   ASP  32           HA       ASP  32  10.466  -4.667  -8.380
  234    HB2  ASP  32           HB3      ASP  32  11.269  -3.368  -5.755
  235    HB3  ASP  32           HB2      ASP  32  12.055  -4.795  -6.430
  236    H    ASN  33           H        ASN  33   8.645  -3.793  -5.508
  237    HA   ASN  33           HA       ASN  33   8.324  -6.585  -4.657
  238    HB2  ASN  33           HB3      ASN  33   6.987  -4.067  -3.647
  239    HB3  ASN  33           HB2      ASN  33   6.968  -5.640  -2.853
  240   HD21  ASN  33          HD22      ASN  33   8.360  -2.772  -2.435
  241   HD22  ASN  33          HD21      ASN  33   9.904  -3.224  -1.896
  242    H    GLY  34           H        GLY  34   7.289  -5.235  -7.255
  243    HA2  GLY  34           HA3      GLY  34   4.558  -4.976  -7.431
  244    HA3  GLY  34           HA2      GLY  34   5.497  -5.789  -8.683
  245    H    VAL  35           H        VAL  35   6.220  -7.751  -6.322
  246    HA   VAL  35           HA       VAL  35   4.534  -9.875  -7.085
  247    HB   VAL  35           HB       VAL  35   5.917  -9.327  -4.441
  248   HG11  VAL  35          HG11      VAL  35   5.554 -12.054  -4.607
  249   HG12  VAL  35          HG12      VAL  35   4.024 -11.436  -5.229
  250   HG13  VAL  35          HG13      VAL  35   4.578 -10.965  -3.622
  251   HG21  VAL  35          HG21      VAL  35   7.710 -10.492  -5.313
  252   HG22  VAL  35          HG22      VAL  35   7.064  -9.825  -6.812
  253   HG23  VAL  35          HG23      VAL  35   6.692 -11.487  -6.354
  254    H    ILE  36           H        ILE  36   4.091  -7.414  -4.581
  255    HA   ILE  36           HA       ILE  36   1.629  -8.503  -3.528
  256    HB   ILE  36           HB       ILE  36   3.286  -6.714  -2.537
  257   HG12  ILE  36          HG13      ILE  36   0.266  -6.662  -2.341
  258   HG13  ILE  36          HG12      ILE  36   1.405  -7.486  -1.280
  259   HG21  ILE  36          HG21      ILE  36   1.245  -4.861  -3.759
  260   HG22  ILE  36          HG22      ILE  36   2.747  -5.230  -4.607
  261   HG23  ILE  36          HG23      ILE  36   2.797  -4.459  -3.022
  262   HD11  ILE  36          HD11      ILE  36   0.958  -5.587  -0.020
  263   HD12  ILE  36          HD12      ILE  36   0.744  -4.571  -1.445
  264   HD13  ILE  36          HD13      ILE  36   2.364  -5.047  -0.935
  265    H    ASP  37           H        ASP  37   2.419  -6.480  -6.243
  266    HA   ASP  37           HA       ASP  37  -0.030  -5.121  -6.606
  267    HB2  ASP  37           HB3      ASP  37   1.912  -6.137  -8.694
  268    HB3  ASP  37           HB2      ASP  37   0.592  -5.018  -9.021
  269    H    SER  38           H        SER  38   0.773  -8.482  -7.337
  270    HA   SER  38           HA       SER  38  -1.943  -8.766  -8.553
  271    HB2  SER  38           2HB      SER  38   0.568 -10.410  -8.880
  272    HB3  SER  38           1HB      SER  38  -1.004 -10.916  -9.491
  273    H    LEU  39           H        LEU  39   0.295 -10.920  -6.757
  274    HA   LEU  39           HA       LEU  39  -1.867 -12.507  -5.736
  275    HB2  LEU  39           HB3      LEU  39   1.018 -12.252  -4.908
  276    HB3  LEU  39           HB2      LEU  39  -0.087 -13.392  -4.154
  277    HG   LEU  39           HG       LEU  39  -0.575 -14.115  -6.635
  278   HD11  LEU  39          HD11      LEU  39   1.531 -13.926  -8.007
  279   HD12  LEU  39          HD12      LEU  39   2.130 -12.765  -6.824
  280   HD13  LEU  39          HD13      LEU  39   0.688 -12.397  -7.769
  281   HD21  LEU  39          HD21      LEU  39   1.208 -15.791  -6.457
  282   HD22  LEU  39          HD22      LEU  39   0.476 -15.513  -4.877
  283   HD23  LEU  39          HD23      LEU  39   2.041 -14.796  -5.262
  284    H    GLY  40           H        GLY  40   0.197 -10.070  -4.153
  285    HA2  GLY  40           HA3      GLY  40  -1.274 -10.168  -1.673
  286    HA3  GLY  40           HA2      GLY  40  -0.139  -8.906  -2.142
  287    H    LEU  41           H        LEU  41  -1.453  -8.139  -4.560
  288    HA   LEU  41           HA       LEU  41  -3.267  -6.191  -3.582
  289    HB2  LEU  41           HB3      LEU  41  -2.041  -6.096  -5.769
  290    HB3  LEU  41           HB2      LEU  41  -3.154  -7.311  -6.395
  291    HG   LEU  41           HG       LEU  41  -4.998  -5.636  -5.540
  292   HD11  LEU  41          HD11      LEU  41  -3.532  -4.077  -4.412
  293   HD12  LEU  41          HD12      LEU  41  -4.201  -3.271  -5.830
  294   HD13  LEU  41          HD13      LEU  41  -2.548  -3.886  -5.863
  295   HD21  LEU  41          HD21      LEU  41  -3.312  -5.090  -8.003
  296   HD22  LEU  41          HD22      LEU  41  -4.972  -4.548  -7.758
  297   HD23  LEU  41          HD23      LEU  41  -4.619  -6.270  -7.897
  298    H    LEU  42           H        LEU  42  -3.863  -9.368  -5.068
  299    HA   LEU  42           HA       LEU  42  -6.705  -9.153  -5.173
  300    HB2  LEU  42           HB3      LEU  42  -5.333 -10.982  -6.238
  301    HB3  LEU  42           HB2      LEU  42  -5.104 -11.671  -4.636
  302    HG   LEU  42           HG       LEU  42  -7.724 -11.522  -4.504
  303   HD11  LEU  42          HD11      LEU  42  -8.873 -11.255  -6.456
  304   HD12  LEU  42          HD12      LEU  42  -7.639 -12.081  -7.409
  305   HD13  LEU  42          HD13      LEU  42  -7.416 -10.394  -6.950
  306   HD21  LEU  42          HD21      LEU  42  -6.560 -13.637  -4.414
  307   HD22  LEU  42          HD22      LEU  42  -6.160 -13.548  -6.130
  308   HD23  LEU  42          HD23      LEU  42  -7.832 -13.793  -5.626
  309    H    LYS  43           H        LYS  43  -4.521 -10.332  -2.621
  310    HA   LYS  43           HA       LYS  43  -6.612 -10.985  -0.757
  311    HB2  LYS  43           HB3      LYS  43  -3.704 -10.284  -0.322
  312    HB3  LYS  43           HB2      LYS  43  -4.768 -10.933   0.920
  313    HG2  LYS  43           HG3      LYS  43  -5.187 -12.920  -0.535
  314    HG3  LYS  43           HG2      LYS  43  -4.005 -12.286  -1.682
  315    HD2  LYS  43           HD3      LYS  43  -2.293 -12.303   0.140
  316    HD3  LYS  43           HD2      LYS  43  -3.478 -13.065   1.201
  317    HE2  LYS  43           HE3      LYS  43  -3.531 -14.588  -1.156
  318    HE3  LYS  43           HE2      LYS  43  -1.823 -14.274  -0.853
  319    HZ1  LYS  43           HZ1      LYS  43  -3.115 -16.251   0.299
  320    HZ2  LYS  43           HZ2      LYS  43  -3.469 -15.039   1.431
  321    HZ3  LYS  43           HZ3      LYS  43  -1.852 -15.425   1.079
  322    H    VAL  44           H        VAL  44  -4.776  -8.053  -1.449
  323    HA   VAL  44           HA       VAL  44  -5.534  -6.538   0.836
  324    HB   VAL  44           HB       VAL  44  -4.856  -5.688  -1.988
  325   HG11  VAL  44          HG11      VAL  44  -4.313  -3.547  -0.343
  326   HG12  VAL  44          HG12      VAL  44  -5.827  -4.154   0.328
  327   HG13  VAL  44          HG13      VAL  44  -5.739  -3.691  -1.371
  328   HG21  VAL  44          HG21      VAL  44  -3.278  -6.809  -0.043
  329   HG22  VAL  44          HG22      VAL  44  -3.078  -5.089   0.292
  330   HG23  VAL  44          HG23      VAL  44  -2.684  -5.728  -1.304
  331    H    ILE  45           H        ILE  45  -7.105  -6.826  -2.354
  332    HA   ILE  45           HA       ILE  45  -9.194  -4.962  -1.856
  333    HB   ILE  45           HB       ILE  45  -8.745  -7.229  -3.736
  334   HG12  ILE  45          HG13      ILE  45  -9.130  -5.508  -5.382
  335   HG13  ILE  45          HG12      ILE  45  -9.814  -4.426  -4.170
  336   HG21  ILE  45          HG21      ILE  45 -10.981  -7.785  -3.174
  337   HG22  ILE  45          HG22      ILE  45 -11.117  -6.787  -4.621
  338   HG23  ILE  45          HG23      ILE  45 -11.453  -6.091  -3.036
  339   HD11  ILE  45          HD11      ILE  45  -7.750  -3.900  -3.271
  340   HD12  ILE  45          HD12      ILE  45  -7.276  -4.197  -4.943
  341   HD13  ILE  45          HD13      ILE  45  -7.042  -5.449  -3.725
  342    H    ALA  46           H        ALA  46  -9.039  -8.479  -1.295
  343    HA   ALA  46           HA       ALA  46 -11.713  -8.728  -0.292
  344    HB1  ALA  46           HB1      ALA  46 -11.062 -10.877  -0.459
  345    HB2  ALA  46           HB2      ALA  46 -10.102 -10.650   1.003
  346    HB3  ALA  46           HB3      ALA  46  -9.370 -10.394  -0.581
  347    H    TRP  47           H        TRP  47  -8.595  -8.209   1.363
  348    HA   TRP  47           HA       TRP  47  -9.788  -8.165   4.003
  349    HB2  TRP  47           HB3      TRP  47  -7.541  -8.631   4.181
  350    HB3  TRP  47           HB2      TRP  47  -7.110  -7.587   2.828
  351    HD1  TRP  47           HD1      TRP  47  -7.873  -7.493   6.571
  352    HE1  TRP  47           HE1      TRP  47  -7.045  -5.241   7.522
  353    HE3  TRP  47           HE3      TRP  47  -6.606  -5.123   2.239
  354    HZ2  TRP  47           HZ2      TRP  47  -5.979  -2.761   6.560
  355    HZ3  TRP  47           HZ3      TRP  47  -5.686  -2.825   2.276
  356    HH2  TRP  47           HH2      TRP  47  -5.372  -1.643   4.428
  357    H    LEU  48           H        LEU  48  -8.864  -5.684   1.641
  358    HA   LEU  48           HA       LEU  48  -9.296  -3.406   3.268
  359    HB2  LEU  48           HB3      LEU  48  -8.279  -3.426   0.962
  360    HB3  LEU  48           HB2      LEU  48  -9.894  -3.649   0.308
  361    HG   LEU  48           HG       LEU  48 -10.463  -1.542   1.762
  362   HD11  LEU  48          HD11      LEU  48  -7.876  -1.803   2.503
  363   HD12  LEU  48          HD12      LEU  48  -8.720  -0.255   2.490
  364   HD13  LEU  48          HD13      LEU  48  -7.691  -0.711   1.133
  365   HD21  LEU  48          HD21      LEU  48 -10.765  -1.110  -0.470
  366   HD22  LEU  48          HD22      LEU  48  -9.224  -1.840  -0.919
  367   HD23  LEU  48          HD23      LEU  48  -9.268  -0.200  -0.271
  368    H    GLU  49           H        GLU  49 -11.572  -5.282   1.274
  369    HA   GLU  49           HA       GLU  49 -13.837  -3.596   1.751
  370    HB2  GLU  49           HB3      GLU  49 -13.946  -5.193  -0.042
  371    HB3  GLU  49           HB2      GLU  49 -13.603  -6.531   1.039
  372    HG2  GLU  49           HG3      GLU  49 -15.746  -6.169   2.183
  373    HG3  GLU  49           HG2      GLU  49 -16.090  -4.810   1.125
  374    H    ASP  50           H        ASP  50 -12.541  -6.397   3.503
  375    HA   ASP  50           HA       ASP  50 -14.693  -6.557   5.396
  376    HB2  ASP  50           HB3      ASP  50 -12.992  -8.351   4.950
  377    HB3  ASP  50           HB2      ASP  50 -11.816  -7.364   5.816
  378    H    ARG  51           H        ARG  51 -11.490  -5.011   5.581
  379    HA   ARG  51           HA       ARG  51 -11.888  -3.980   8.233
  380    HB2  ARG  51           HB3      ARG  51  -9.660  -4.302   7.177
  381    HB3  ARG  51           HB2      ARG  51 -10.010  -2.954   6.094
  382    HG2  ARG  51           HG3      ARG  51 -10.289  -1.459   8.038
  383    HG3  ARG  51           HG2      ARG  51  -9.934  -2.804   9.122
  384    HD2  ARG  51           HD3      ARG  51  -7.710  -3.056   8.017
  385    HD3  ARG  51           HD2      ARG  51  -8.063  -1.625   7.047
  386    HE   ARG  51           HE       ARG  51  -7.178  -1.610   9.791
  387   HH11  ARG  51          HH22      ARG  51  -9.281  -0.106   7.510
  388   HH12  ARG  51          HH21      ARG  51  -9.270   1.429   8.312
  389   HH21  ARG  51          HH11      ARG  51  -7.152   0.385  10.851
  390   HH22  ARG  51          HH12      ARG  51  -8.064   1.707  10.204
  391    H    PHE  52           H        PHE  52 -12.299  -2.431   5.016
  392    HA   PHE  52           HA       PHE  52 -13.342  -0.032   6.422
  393    HB2  PHE  52           HB3      PHE  52 -12.556  -0.499   3.537
  394    HB3  PHE  52           HB2      PHE  52 -13.164   1.024   4.176
  395    HD1  PHE  52           HD1      PHE  52 -11.856   2.314   5.840
  396    HD2  PHE  52           HD2      PHE  52 -10.317  -1.265   4.030
  397    HE1  PHE  52           HE1      PHE  52  -9.574   2.904   6.612
  398    HE2  PHE  52           HE2      PHE  52  -8.035  -0.674   4.802
  399    HZ   PHE  52           HZ       PHE  52  -7.664   1.410   6.093
  400    H    GLY  53           H        GLY  53 -14.557  -2.830   4.948
  401    HA2  GLY  53           HA3      GLY  53 -16.795  -3.400   4.447
  402    HA3  GLY  53           HA2      GLY  53 -17.269  -1.837   5.114
  403    H    ILE  54           H        ILE  54 -14.873  -1.985   2.576
  404    HA   ILE  54           HA       ILE  54 -16.810  -0.596   0.786
  405    HB   ILE  54           HB       ILE  54 -13.796  -0.855   0.557
  406   HG12  ILE  54          HG13      ILE  54 -15.420   1.540   1.454
  407   HG13  ILE  54          HG12      ILE  54 -14.679   0.405   2.583
  408   HG21  ILE  54          HG21      ILE  54 -14.071   1.041  -1.035
  409   HG22  ILE  54          HG22      ILE  54 -15.821   0.898  -0.868
  410   HG23  ILE  54          HG23      ILE  54 -14.893  -0.418  -1.587
  411   HD11  ILE  54          HD11      ILE  54 -13.147   1.892   0.433
  412   HD12  ILE  54          HD12      ILE  54 -12.470   0.894   1.720
  413   HD13  ILE  54          HD13      ILE  54 -13.257   2.423   2.111
  414    H    ALA  55           H        ALA  55 -17.556  -1.611  -1.026
  415    HA   ALA  55           HA       ALA  55 -17.086  -4.382  -1.482
  416    HB1  ALA  55           HB1      ALA  55 -17.889  -3.016  -3.906
  417    HB2  ALA  55           HB2      ALA  55 -18.788  -2.395  -2.522
  418    HB3  ALA  55           HB3      ALA  55 -18.821  -4.119  -2.893
  419    H    ALA  56           H        ALA  56 -15.847  -5.442  -3.085
  420    HA   ALA  56           HA       ALA  56 -13.258  -4.405  -3.592
  421    HB1  ALA  56           HB1      ALA  56 -13.526  -6.765  -3.731
  422    HB2  ALA  56           HB2      ALA  56 -13.205  -6.250  -5.387
  423    HB3  ALA  56           HB3      ALA  56 -14.853  -6.625  -4.883
  424    H    ASP  57           H        ASP  57 -16.264  -3.930  -5.240
  425    HA   ASP  57           HA       ASP  57 -16.842  -2.671  -7.118
  426    HB2  ASP  57           HB3      ASP  57 -14.146  -1.440  -6.528
  427    HB3  ASP  57           HB2      ASP  57 -15.290  -0.795  -7.699
  428    H    ASP  58           H        ASP  58 -14.322  -4.861  -7.148
  429    HA   ASP  58           HA       ASP  58 -13.187  -5.956  -8.887
  430    HB2  ASP  58           HB3      ASP  58 -15.656  -4.997 -10.342
  431    HB3  ASP  58           HB2      ASP  58 -14.518  -6.173 -10.994
  432    H    VAL  59           H        VAL  59 -12.097  -3.469  -8.439
  433    HA   VAL  59           HA       VAL  59 -11.820  -2.237 -11.143
  434    HB   VAL  59           HB       VAL  59 -10.845  -0.317  -9.967
  435   HG11  VAL  59          HG11      VAL  59 -13.071   0.167  -9.955
  436   HG12  VAL  59          HG12      VAL  59 -12.945  -0.152  -8.225
  437   HG13  VAL  59          HG13      VAL  59 -13.509  -1.418  -9.315
  438   HG21  VAL  59          HG21      VAL  59  -9.676  -1.065  -8.116
  439   HG22  VAL  59          HG22      VAL  59 -10.902  -2.262  -7.696
  440   HG23  VAL  59          HG23      VAL  59 -11.169  -0.559  -7.326
  441    H    GLU  60           H        GLU  60  -9.851  -2.278 -12.191
  442    HA   GLU  60           HA       GLU  60  -7.680  -3.832 -10.852
  443    HB2  GLU  60           HB3      GLU  60  -8.615  -4.748 -12.984
  444    HB3  GLU  60           HB2      GLU  60  -8.081  -3.287 -13.805
  445    HG2  GLU  60           HG3      GLU  60  -5.760  -3.764 -13.067
  446    HG3  GLU  60           HG2      GLU  60  -6.324  -5.275 -12.364
  447    H    LEU  61           H        LEU  61  -5.696  -2.879 -10.551
  448    HA   LEU  61           HA       LEU  61  -5.422  -0.053 -11.447
  449    HB2  LEU  61           HB3      LEU  61  -3.884  -1.535  -9.293
  450    HB3  LEU  61           HB2      LEU  61  -3.773   0.185  -9.652
  451    HG   LEU  61           HG       LEU  61  -5.234  -0.084  -7.742
  452   HD11  LEU  61          HD11      LEU  61  -7.048   1.182  -8.495
  453   HD12  LEU  61          HD12      LEU  61  -7.172   0.287 -10.010
  454   HD13  LEU  61          HD13      LEU  61  -5.863   1.446  -9.774
  455   HD21  LEU  61          HD21      LEU  61  -5.843  -2.537  -8.751
  456   HD22  LEU  61          HD22      LEU  61  -7.290  -1.640  -9.210
  457   HD23  LEU  61          HD23      LEU  61  -6.808  -1.728  -7.517
  458    H    SER  62           H        SER  62  -3.677   0.550 -12.717
  459    HA   SER  62           HA       SER  62  -2.239  -1.609 -14.076
  460    HB2  SER  62           HB3      SER  62  -2.325  -0.078 -15.725
  461    HB3  SER  62           HB2      SER  62  -2.898   1.150 -14.600
  462    HG   SER  62           HG       SER  62  -0.807   1.539 -15.663
  463    HA   PRO  63           HA       PRO  63   1.583  -1.682 -11.905
  464    HB2  PRO  63           HB2      PRO  63   3.388  -1.138 -13.990
  465    HB3  PRO  63           HB3      PRO  63   2.777  -2.735 -13.530
  466    HG2  PRO  63           HG3      PRO  63   1.941  -0.952 -15.735
  467    HG3  PRO  63           HG2      PRO  63   1.942  -2.721 -15.643
  468    HD2  PRO  63           HD3      PRO  63  -0.342  -1.263 -15.456
  469    HD3  PRO  63           HD2      PRO  63  -0.127  -2.804 -14.598
  470    H    GLU  64           H        GLU  64   1.039   1.085 -14.014
  471    HA   GLU  64           HA       GLU  64   3.141   2.753 -13.031
  472    HB2  GLU  64           HB3      GLU  64   0.451   3.453 -14.205
  473    HB3  GLU  64           HB2      GLU  64   1.728   4.624 -13.897
  474    HG2  GLU  64           HG3      GLU  64   2.012   2.187 -15.661
  475    HG3  GLU  64           HG2      GLU  64   1.744   3.824 -16.243
  476    H    HIS  65           H        HIS  65  -0.044   1.977 -11.795
  477    HA   HIS  65           HA       HIS  65  -0.235   4.145  -9.913
  478    HB2  HIS  65           HB3      HIS  65  -2.190   2.804 -10.574
  479    HB3  HIS  65           HB2      HIS  65  -1.474   1.377  -9.825
  480    HD1  HIS  65           HD1      HIS  65  -1.667   1.141  -7.298
  481    HD2  HIS  65           HD2      HIS  65  -2.987   4.854  -8.667
  482    HE1  HIS  65           HE1      HIS  65  -2.775   2.283  -5.324
  483    HE2  HIS  65           HE2      HIS  65  -3.578   4.543  -6.146
  484    H    PHE  66           H        PHE  66   1.439   1.074  -9.868
  485    HA   PHE  66           HA       PHE  66   2.000   1.358  -6.965
  486    HB2  PHE  66           HB3      PHE  66   2.800  -0.838  -8.900
  487    HB3  PHE  66           HB2      PHE  66   2.975  -0.882  -7.145
  488    HD1  PHE  66           HD1      PHE  66   1.008  -1.098  -5.680
  489    HD2  PHE  66           HD2      PHE  66   0.626  -1.048  -9.955
  490    HE1  PHE  66           HE1      PHE  66  -1.319  -1.939  -5.485
  491    HE2  PHE  66           HE2      PHE  66  -1.692  -1.892  -9.765
  492    HZ   PHE  66           HZ       PHE  66  -2.669  -2.335  -7.530
  493    H    ARG  67           H        ARG  67   3.217   2.731  -9.627
  494    HA   ARG  67           HA       ARG  67   5.977   2.159  -9.669
  495    HB2  ARG  67           HB3      ARG  67   4.804   3.622 -11.312
  496    HB3  ARG  67           HB2      ARG  67   4.674   4.869 -10.077
  497    HG2  ARG  67           HG3      ARG  67   6.592   5.501 -11.282
  498    HG3  ARG  67           HG2      ARG  67   7.255   4.645  -9.896
  499    HD2  ARG  67           HD3      ARG  67   7.490   2.599 -11.238
  500    HD3  ARG  67           HD2      ARG  67   6.762   3.412 -12.622
  501    HE   ARG  67           HE       ARG  67   9.080   4.844 -11.635
  502   HH11  ARG  67          HH22      ARG  67   7.959   2.161 -13.488
  503   HH12  ARG  67          HH21      ARG  67   9.366   2.099 -14.496
  504   HH21  ARG  67          HH11      ARG  67  10.924   4.778 -12.941
  505   HH22  ARG  67          HH12      ARG  67  11.045   3.581 -14.187
  506    H    SER  68           H        SER  68   4.158   4.339  -7.522
  507    HA   SER  68           HA       SER  68   6.503   4.307  -5.702
  508    HB2  SER  68           HB3      SER  68   6.706   6.366  -7.072
  509    HB3  SER  68           HB2      SER  68   5.098   6.852  -6.551
  510    HG   SER  68           HG       SER  68   7.451   7.129  -5.291
  511    H    ILE  69           H        ILE  69   5.938   4.631  -3.498
  512    HA   ILE  69           HA       ILE  69   3.393   3.693  -2.686
  513    HB   ILE  69           HB       ILE  69   5.373   5.372  -1.122
  514   HG12  ILE  69          HG13      ILE  69   5.106   2.367  -1.321
  515   HG13  ILE  69          HG12      ILE  69   6.323   3.310  -2.166
  516   HG21  ILE  69          HG21      ILE  69   2.803   4.369  -0.479
  517   HG22  ILE  69          HG22      ILE  69   3.969   5.126   0.606
  518   HG23  ILE  69          HG23      ILE  69   3.981   3.378   0.378
  519   HD11  ILE  69          HD11      ILE  69   6.580   4.219   0.420
  520   HD12  ILE  69          HD12      ILE  69   7.600   2.988  -0.322
  521   HD13  ILE  69          HD13      ILE  69   6.211   2.512   0.655
  522    H    ARG  70           H        ARG  70   4.634   6.993  -3.091
  523    HA   ARG  70           HA       ARG  70   2.474   8.369  -1.848
  524    HB2  ARG  70           HB3      ARG  70   4.243   9.216  -4.161
  525    HB3  ARG  70           HB2      ARG  70   3.182  10.300  -3.261
  526    HG2  ARG  70           HG3      ARG  70   4.389   9.663  -1.163
  527    HG3  ARG  70           HG2      ARG  70   5.511   8.717  -2.141
  528    HD2  ARG  70           HD3      ARG  70   5.026  11.702  -2.362
  529    HD3  ARG  70           HD2      ARG  70   6.468  10.926  -1.706
  530    HE   ARG  70           HE       ARG  70   6.284   9.885  -4.259
  531   HH11  ARG  70          HH22      ARG  70   6.256  13.033  -2.854
  532   HH12  ARG  70          HH21      ARG  70   6.988  13.796  -4.225
  533   HH21  ARG  70          HH11      ARG  70   7.241  10.863  -6.057
  534   HH22  ARG  70          HH12      ARG  70   7.546  12.568  -6.039
  535    H    SER  71           H        SER  71   2.841   7.136  -5.163
  536    HA   SER  71           HA       SER  71   0.565   8.390  -6.299
  537    HB2  SER  71           HB3      SER  71   1.620   5.617  -6.916
  538    HB3  SER  71           HB2      SER  71   0.648   6.630  -7.975
  539    HG   SER  71           HG       SER  71   2.799   7.978  -7.083
  540    H    ILE  72           H        ILE  72   0.867   5.357  -4.465
  541    HA   ILE  72           HA       ILE  72  -1.850   4.529  -4.768
  542    HB   ILE  72           HB       ILE  72   0.090   3.993  -2.499
  543   HG12  ILE  72          HG13      ILE  72  -0.513   2.366  -4.990
  544   HG13  ILE  72          HG12      ILE  72   0.921   3.372  -4.781
  545   HG21  ILE  72          HG21      ILE  72  -1.658   1.828  -2.991
  546   HG22  ILE  72          HG22      ILE  72  -2.660   3.277  -2.943
  547   HG23  ILE  72          HG23      ILE  72  -1.623   2.877  -1.575
  548   HD11  ILE  72          HD11      ILE  72   0.168   0.840  -3.345
  549   HD12  ILE  72          HD12      ILE  72   1.245   2.005  -2.574
  550   HD13  ILE  72          HD13      ILE  72   1.698   1.268  -4.111
  551    H    ASP  73           H        ASP  73  -0.208   6.590  -2.396
  552    HA   ASP  73           HA       ASP  73  -2.320   6.875  -0.536
  553    HB2  ASP  73           HB3      ASP  73   0.046   7.745  -0.293
  554    HB3  ASP  73           HB2      ASP  73  -0.410   9.075  -1.359
  555    H    ALA  74           H        ALA  74  -1.713   8.605  -3.585
  556    HA   ALA  74           HA       ALA  74  -3.822  10.515  -3.257
  557    HB1  ALA  74           HB1      ALA  74  -2.856  11.266  -5.147
  558    HB2  ALA  74           HB2      ALA  74  -3.575   9.911  -6.018
  559    HB3  ALA  74           HB3      ALA  74  -1.964   9.754  -5.318
  560    H    PHE  75           H        PHE  75  -3.752   7.317  -4.822
  561    HA   PHE  75           HA       PHE  75  -6.502   7.370  -5.648
  562    HB2  PHE  75           HB3      PHE  75  -4.788   5.771  -6.524
  563    HB3  PHE  75           HB2      PHE  75  -4.820   4.953  -4.964
  564    HD1  PHE  75           HD1      PHE  75  -6.819   5.801  -7.965
  565    HD2  PHE  75           HD2      PHE  75  -6.652   3.528  -4.324
  566    HE1  PHE  75           HE1      PHE  75  -8.809   4.505  -8.682
  567    HE2  PHE  75           HE2      PHE  75  -8.641   2.232  -5.041
  568    HZ   PHE  75           HZ       PHE  75  -9.720   2.721  -7.220
  569    H    VAL  76           H        VAL  76  -4.897   5.981  -2.780
  570    HA   VAL  76           HA       VAL  76  -7.293   5.010  -1.561
  571    HB   VAL  76           HB       VAL  76  -4.601   5.796  -0.420
  572   HG11  VAL  76          HG11      VAL  76  -5.460   4.304   1.513
  573   HG12  VAL  76          HG12      VAL  76  -7.066   4.638   0.864
  574   HG13  VAL  76          HG13      VAL  76  -6.049   5.964   1.428
  575   HG21  VAL  76          HG21      VAL  76  -4.709   3.850  -1.998
  576   HG22  VAL  76          HG22      VAL  76  -5.876   3.087  -0.919
  577   HG23  VAL  76          HG23      VAL  76  -4.228   3.387  -0.366
  578    H    VAL  77           H        VAL  77  -5.539   8.106  -1.270
  579    HA   VAL  77           HA       VAL  77  -7.120   9.195   0.827
  580    HB   VAL  77           HB       VAL  77  -5.591  10.481  -1.444
  581   HG11  VAL  77          HG11      VAL  77  -5.785  12.552   0.027
  582   HG12  VAL  77          HG12      VAL  77  -7.074  11.708   0.884
  583   HG13  VAL  77          HG13      VAL  77  -7.252  12.080  -0.830
  584   HG21  VAL  77          HG21      VAL  77  -4.774  10.863   1.358
  585   HG22  VAL  77          HG22      VAL  77  -3.804  10.402  -0.041
  586   HG23  VAL  77          HG23      VAL  77  -4.730   9.181   0.832
  587    H    GLY  78           H        GLY  78  -7.539   9.267  -2.704
  588    HA2  GLY  78           HA3      GLY  78  -9.761  11.022  -2.799
  589    HA3  GLY  78           HA2      GLY  78  -9.439   9.759  -3.987
  590    H    ALA  79           H        ALA  79  -9.604   7.545  -2.110
  591    HA   ALA  79           HA       ALA  79 -12.549   7.421  -1.928
  592    HB1  ALA  79           HB1      ALA  79 -12.273   5.043  -1.679
  593    HB2  ALA  79           HB2      ALA  79 -10.551   5.226  -1.344
  594    HB3  ALA  79           HB3      ALA  79 -11.176   5.564  -2.958
  595    H    THR  80           H        THR  80  -9.750   6.819   0.207
  596    HA   THR  80           HA       THR  80 -11.370   7.772   2.488
  597    HB   THR  80           HB       THR  80 -11.683   5.265   2.281
  598    HG1  THR  80           HG1      THR  80 -12.023   5.721   4.298
  599   HG21  THR  80          HG21      THR  80  -8.782   5.183   3.137
  600   HG22  THR  80          HG22      THR  80  -9.321   4.871   1.488
  601   HG23  THR  80          HG23      THR  80  -9.835   3.811   2.799
  602    H    THR  81           H        THR  81 -10.061   8.473   4.257
  603    HA   THR  81           HA       THR  81  -7.122   8.337   3.866
  604    HB   THR  81           HB       THR  81  -7.760  10.447   2.849
  605    HG1  THR  81           HG1      THR  81  -5.913  10.568   4.077
  606   HG21  THR  81          HG21      THR  81  -9.926  10.435   4.434
  607   HG22  THR  81          HG22      THR  81  -9.300  11.916   3.714
  608   HG23  THR  81          HG23      THR  81  -8.905  11.513   5.384
  609    HA   PRO  82           HA       PRO  82  -8.253   7.700   8.268
  610    HB2  PRO  82           HB2      PRO  82  -6.694   5.534   8.722
  611    HB3  PRO  82           HB3      PRO  82  -8.274   5.416   7.923
  612    HG2  PRO  82           HG3      PRO  82  -5.552   5.300   6.758
  613    HG3  PRO  82           HG2      PRO  82  -7.034   4.467   6.263
  614    HD2  PRO  82           HD3      PRO  82  -5.970   6.772   5.055
  615    HD3  PRO  82           HD2      PRO  82  -7.618   6.150   4.832
  616    HA   PRO  83           HA       PRO  83  -4.466   9.872   9.489
  617    HB2  PRO  83           HB2      PRO  83  -5.193  10.498  12.037
  618    HB3  PRO  83           HB3      PRO  83  -5.822  11.359  10.619
  619    HG2  PRO  83           HG3      PRO  83  -7.107   9.262  12.284
  620    HG3  PRO  83           HG2      PRO  83  -7.816  10.693  11.519
  621    HD2  PRO  83           HD3      PRO  83  -8.024   8.131  10.498
  622    HD3  PRO  83           HD2      PRO  83  -8.167   9.610   9.523
  623    H    VAL  84           H        VAL  84  -2.601   9.379  10.739
  624    HA   VAL  84           HA       VAL  84  -2.791   6.971  12.502
  625    HB   VAL  84           HB       VAL  84  -1.866   6.376  10.248
  626   HG11  VAL  84          HG11      VAL  84  -0.803   8.634   9.888
  627   HG12  VAL  84          HG12      VAL  84   0.273   7.276   9.559
  628   HG13  VAL  84          HG13      VAL  84   0.430   8.179  11.065
  629   HG21  VAL  84          HG21      VAL  84   0.082   5.184  11.118
  630   HG22  VAL  84          HG22      VAL  84  -1.192   5.177  12.338
  631   HG23  VAL  84          HG23      VAL  84   0.173   6.283  12.495
  632    H    GLU  85           H        GLU  85  -1.601   7.145  14.392
  633    HA   GLU  85           HA       GLU  85  -0.658   9.733  15.201
  634    HB2  GLU  85           HB3      GLU  85  -1.470   7.956  16.770
  635    HB3  GLU  85           HB2      GLU  85   0.005   7.045  16.441
  636    HG2  GLU  85           HG3      GLU  85   1.344   9.000  17.221
  637    HG3  GLU  85           HG2      GLU  85  -0.157   9.825  17.643
  638    H    ALA  86           H        ALA  86   1.006   6.819  14.036
  639    HA   ALA  86           HA       ALA  86   3.286   8.448  13.195
  640    HB1  ALA  86           HB1      ALA  86   3.615   6.359  15.371
  641    HB2  ALA  86           HB2      ALA  86   3.872   8.095  15.546
  642    HB3  ALA  86           HB3      ALA  86   4.945   7.144  14.519
  643    H    LYS  87           H        LYS  87   4.707   7.241  11.776
  644    HA   LYS  87           HA       LYS  87   3.414   5.285  10.168
  645    HB2  LYS  87           HB3      LYS  87   5.366   6.698   9.458
  646    HB3  LYS  87           HB2      LYS  87   6.404   5.691  10.467
  647    HG2  LYS  87           HG3      LYS  87   5.709   3.694   9.178
  648    HG3  LYS  87           HG2      LYS  87   4.708   4.717   8.147
  649    HD2  LYS  87           HD3      LYS  87   6.763   6.023   7.544
  650    HD3  LYS  87           HD2      LYS  87   7.720   4.856   8.457
  651    HE2  LYS  87           HE3      LYS  87   6.240   3.189   6.875
  652    HE3  LYS  87           HE2      LYS  87   6.439   4.579   5.808
  653    HZ1  LYS  87           HZ1      LYS  87   8.290   3.195   5.452
  654    HZ2  LYS  87           HZ2      LYS  87   8.555   2.970   7.112
  655    HZ3  LYS  87           HZ3      LYS  87   8.862   4.482   6.402
  656    H    LEU  88           H        LEU  88   5.660   4.952  12.890
  657    HA   LEU  88           HA       LEU  88   5.412   1.991  12.692
  658    HB2  LEU  88           HB3      LEU  88   7.696   3.002  12.906
  659    HB3  LEU  88           HB2      LEU  88   7.221   3.644  14.477
  660    HG   LEU  88           HG       LEU  88   6.672   1.287  15.189
  661   HD11  LEU  88          HD11      LEU  88   7.353   0.824  12.386
  662   HD12  LEU  88          HD12      LEU  88   6.526  -0.235  13.526
  663   HD13  LEU  88          HD13      LEU  88   8.287  -0.203  13.472
  664   HD21  LEU  88          HD21      LEU  88   9.398   0.767  14.713
  665   HD22  LEU  88          HD22      LEU  88   8.704   1.550  16.133
  666   HD23  LEU  88          HD23      LEU  88   9.262   2.524  14.772
  667    H    GLN  89           H        GLN  89   4.188   0.886  14.163
  668    HA   GLN  89           HA       GLN  89   2.234   1.989  15.765
  669    HB2  GLN  89           HB3      GLN  89   3.875  -0.492  16.369
  670    HB3  GLN  89           HB2      GLN  89   2.340  -0.092  17.140
  671    HG2  GLN  89           HG3      GLN  89   1.210  -0.127  14.961
  672    HG3  GLN  89           HG2      GLN  89   2.742  -0.473  14.158
  673   HE21  GLN  89          HE22      GLN  89   0.566  -2.295  13.929
  674   HE22  GLN  89          HE21      GLN  89   0.955  -3.718  14.770
  675    H1   PN7 101           3HO      SAT  38   1.050  -5.530 -15.160
  676    H2   PN7 101           1H1      SAT  38   2.525  -6.658 -10.835
  677    H3   PN7 101           2H1      SAT  38   0.772  -6.617 -10.646
  678    H5   PN7 101          3HE1      SAT  38   3.121  -6.702 -13.507
  679    H6   PN7 101          1HE1      SAT  38   3.568  -5.265 -12.587
  680    H7   PN7 101          2HE1      SAT  38   2.709  -5.099 -14.118
  681    H8   PN7 101          2HE2      SAT  38   0.882  -3.714 -12.723
  682    H9   PN7 101          3HE2      SAT  38   2.022  -3.986 -11.405
  683    H10  PN7 101          1HE2      SAT  38   0.332  -4.458 -11.223
  684    H11  PN7 101           3H       SAT  38   0.573  -7.187 -13.808
  685    H12  PN7 101           5H       SAT  38  -1.221  -4.180 -12.744
  686    H13  PN7 101           2H6      SAT  38  -3.460  -5.998 -13.409
  687    H14  PN7 101           1H6      SAT  38  -3.543  -4.238 -13.351
  688    H15  PN7 101           1H7      SAT  38  -4.472  -4.449 -11.303
  689    H16  PN7 101           2H7      SAT  38  -2.898  -5.005 -10.733
  690    H17  PN7 101           9H       SAT  38  -3.116  -6.882  -9.604
  691    H18  PN7 101          2H10      SAT  38  -5.684  -8.238  -9.710
  692    H19  PN7 101          1H10      SAT  38  -4.358  -8.624  -8.614
  693    H20  PN7 101          1H11      SAT  38  -5.066  -9.841 -11.189
  694    H21  PN7 101          2H11      SAT  38  -4.075 -10.483  -9.879
  695    H22  PN7 101          2HS1      SAT  38  -2.458 -10.063 -11.872
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1   0.926  12.476   2.205
    2    H2   MET   1           H2       MET   1  -0.402  12.761   3.225
    3    H3   MET   1           H3       MET   1  -0.546  11.685   1.918
    4    HA   MET   1           HA       MET   1   0.602  10.018   2.948
    5    HB2  MET   1           HB3      MET   1   1.840  12.205   4.645
    6    HB3  MET   1           HB2      MET   1   2.161  10.482   4.853
    7    HG2  MET   1           HG3      MET   1   2.883  10.405   2.445
    8    HG3  MET   1           HG2      MET   1   2.743  12.161   2.401
    9    HE1  MET   1           HE1      MET   1   4.218   9.091   3.742
   10    HE2  MET   1           HE2      MET   1   4.252   9.727   5.385
   11    HE3  MET   1           HE3      MET   1   5.760   9.500   4.488
   12    H    GLN   2           H        GLN   2  -1.970  11.417   3.518
   13    HA   GLN   2           HA       GLN   2  -2.521  11.482   6.308
   14    HB2  GLN   2           HB3      GLN   2  -4.357  10.772   3.997
   15    HB3  GLN   2           HB2      GLN   2  -4.897  11.155   5.632
   16    HG2  GLN   2           HG3      GLN   2  -3.866  13.386   5.459
   17    HG3  GLN   2           HG2      GLN   2  -3.309  13.005   3.829
   18   HE21  GLN   2          HE22      GLN   2  -5.056  15.203   4.230
   19   HE22  GLN   2          HE21      GLN   2  -6.571  14.834   3.558
   20    H    HIS   3           H        HIS   3  -2.581   8.813   3.973
   21    HA   HIS   3           HA       HIS   3  -2.884   6.932   6.283
   22    HB2  HIS   3           HB3      HIS   3  -3.900   6.547   3.451
   23    HB3  HIS   3           HB2      HIS   3  -4.087   5.408   4.785
   24    HD1  HIS   3           HD1      HIS   3  -5.640   8.354   3.249
   25    HD2  HIS   3           HD2      HIS   3  -5.730   6.512   6.989
   26    HE1  HIS   3           HE1      HIS   3  -7.657   9.294   4.461
   27    HE2  HIS   3           HE2      HIS   3  -7.722   8.179   6.739
   28    H    ALA   4           H        ALA   4  -0.631   8.095   4.313
   29    HA   ALA   4           HA       ALA   4   0.484   5.852   2.968
   30    HB1  ALA   4           HB1      ALA   4   1.684   8.372   4.110
   31    HB2  ALA   4           HB2      ALA   4   1.421   7.949   2.418
   32    HB3  ALA   4           HB3      ALA   4   2.694   7.150   3.340
   33    H    SER   5           H        SER   5   0.686   6.872   6.344
   34    HA   SER   5           HA       SER   5   2.842   5.185   7.126
   35    HB2  SER   5           HB3      SER   5   0.455   6.029   8.787
   36    HB3  SER   5           HB2      SER   5   2.002   5.461   9.406
   37    HG   SER   5           HG       SER   5   2.479   7.515   9.337
   38    H    VAL   6           H        VAL   6  -0.677   4.553   7.147
   39    HA   VAL   6           HA       VAL   6  -0.378   1.873   8.170
   40    HB   VAL   6           HB       VAL   6  -2.535   2.939   8.376
   41   HG11  VAL   6          HG11      VAL   6  -2.582   4.466   6.551
   42   HG12  VAL   6          HG12      VAL   6  -3.887   3.324   6.239
   43   HG13  VAL   6          HG13      VAL   6  -2.362   3.177   5.368
   44   HG21  VAL   6          HG21      VAL   6  -3.950   1.185   7.551
   45   HG22  VAL   6          HG22      VAL   6  -2.393   0.440   7.910
   46   HG23  VAL   6          HG23      VAL   6  -2.830   0.811   6.242
   47    H    ILE   7           H        ILE   7  -0.419   3.246   4.919
   48    HA   ILE   7           HA       ILE   7  -0.634   0.828   3.452
   49    HB   ILE   7           HB       ILE   7   0.875   3.376   2.809
   50   HG12  ILE   7          HG13      ILE   7  -1.817   2.381   1.827
   51   HG13  ILE   7          HG12      ILE   7  -1.628   3.496   3.178
   52   HG21  ILE   7          HG21      ILE   7   0.162   0.972   1.106
   53   HG22  ILE   7          HG22      ILE   7   1.768   1.635   1.407
   54   HG23  ILE   7          HG23      ILE   7   0.613   2.535   0.426
   55   HD11  ILE   7          HD11      ILE   7  -0.040   4.490   1.035
   56   HD12  ILE   7          HD12      ILE   7  -1.493   5.208   1.729
   57   HD13  ILE   7          HD13      ILE   7  -1.624   4.087   0.374
   58    H    ALA   8           H        ALA   8   2.304   2.548   4.560
   59    HA   ALA   8           HA       ALA   8   4.145   0.557   3.623
   60    HB1  ALA   8           HB1      ALA   8   4.254   2.978   5.200
   61    HB2  ALA   8           HB2      ALA   8   5.544   2.197   4.286
   62    HB3  ALA   8           HB3      ALA   8   5.234   1.721   5.956
   63    H    GLN   9           H        GLN   9   2.642   1.090   6.795
   64    HA   GLN   9           HA       GLN   9   3.803  -1.171   8.093
   65    HB2  GLN   9           HB3      GLN   9   2.643   0.684   9.279
   66    HB3  GLN   9           HB2      GLN   9   1.111   0.131   8.604
   67    HG2  GLN   9           HG3      GLN   9   2.285  -2.157   9.736
   68    HG3  GLN   9           HG2      GLN   9   2.550  -0.869  10.910
   69   HE21  GLN   9          HE22      GLN   9  -0.103  -2.113   8.797
   70   HE22  GLN   9          HE21      GLN   9  -1.332  -1.842   9.936
   71    H    PHE  10           H        PHE  10   0.846  -0.785   6.197
   72    HA   PHE  10           HA       PHE  10  -0.220  -3.388   6.688
   73    HB2  PHE  10           HB3      PHE  10  -1.483  -1.457   5.715
   74    HB3  PHE  10           HB2      PHE  10  -0.581  -1.677   4.216
   75    HD1  PHE  10           HD2      PHE  10  -3.027  -3.227   6.521
   76    HD2  PHE  10           HD1      PHE  10  -1.060  -3.492   2.714
   77    HE1  PHE  10           HE2      PHE  10  -4.625  -4.991   5.820
   78    HE2  PHE  10           HE1      PHE  10  -2.657  -5.255   2.010
   79    HZ   PHE  10           HZ       PHE  10  -4.440  -6.003   3.564
   80    H    VAL  11           H        VAL  11   1.669  -2.173   3.903
   81    HA   VAL  11           HA       VAL  11   1.873  -4.804   2.715
   82    HB   VAL  11           HB       VAL  11   3.387  -3.739   1.133
   83   HG11  VAL  11          HG11      VAL  11   1.882  -2.102   0.254
   84   HG12  VAL  11          HG12      VAL  11   1.247  -1.731   1.856
   85   HG13  VAL  11          HG13      VAL  11   0.879  -3.280   1.100
   86   HG21  VAL  11          HG21      VAL  11   4.816  -2.391   2.433
   87   HG22  VAL  11          HG22      VAL  11   3.470  -1.611   3.263
   88   HG23  VAL  11          HG23      VAL  11   3.820  -1.211   1.582
   89    H    VAL  12           H        VAL  12   4.151  -2.771   4.572
   90    HA   VAL  12           HA       VAL  12   6.375  -4.538   4.412
   91    HB   VAL  12           HB       VAL  12   5.585  -2.562   6.547
   92   HG11  VAL  12          HG11      VAL  12   8.113  -4.170   6.147
   93   HG12  VAL  12          HG12      VAL  12   7.100  -4.096   7.588
   94   HG13  VAL  12          HG13      VAL  12   8.066  -2.698   7.116
   95   HG21  VAL  12          HG21      VAL  12   6.406  -1.014   5.130
   96   HG22  VAL  12          HG22      VAL  12   6.563  -2.273   3.905
   97   HG23  VAL  12          HG23      VAL  12   7.915  -1.914   4.979
   98    H    GLU  13           H        GLU  13   3.620  -4.482   6.623
   99    HA   GLU  13           HA       GLU  13   4.592  -6.314   8.550
  100    HB2  GLU  13           HB3      GLU  13   2.453  -5.043   8.754
  101    HB3  GLU  13           HB2      GLU  13   1.752  -6.098   7.535
  102    HG2  GLU  13           HG3      GLU  13   2.284  -8.057   9.002
  103    HG3  GLU  13           HG2      GLU  13   2.811  -6.918  10.240
  104    H    GLU  14           H        GLU  14   3.113  -6.853   5.393
  105    HA   GLU  14           HA       GLU  14   2.897  -9.707   5.647
  106    HB2  GLU  14           HB3      GLU  14   1.675  -8.339   3.950
  107    HB3  GLU  14           HB2      GLU  14   3.206  -8.072   3.116
  108    HG2  GLU  14           HG3      GLU  14   3.475 -10.540   2.894
  109    HG3  GLU  14           HG2      GLU  14   1.884 -10.750   3.626
  110    H    PHE  15           H        PHE  15   5.471  -7.577   4.444
  111    HA   PHE  15           HA       PHE  15   7.107  -9.924   3.708
  112    HB2  PHE  15           HB3      PHE  15   7.853  -6.991   3.606
  113    HB3  PHE  15           HB2      PHE  15   8.681  -8.324   2.802
  114    HD1  PHE  15           HD1      PHE  15   7.320  -9.726   1.107
  115    HD2  PHE  15           HD2      PHE  15   6.087  -5.878   2.554
  116    HE1  PHE  15           HE1      PHE  15   5.789  -9.488  -0.830
  117    HE2  PHE  15           HE2      PHE  15   4.551  -5.639   0.626
  118    HZ   PHE  15           HZ       PHE  15   4.404  -7.445  -1.071
  119    H    LEU  16           H        LEU  16   7.616  -7.039   5.795
  120    HA   LEU  16           HA       LEU  16   9.280  -8.794   7.558
  121    HB2  LEU  16           HB3      LEU  16  10.072  -6.487   6.039
  122    HB3  LEU  16           HB2      LEU  16  10.237  -6.131   7.756
  123    HG   LEU  16           HG       LEU  16  11.506  -8.247   8.052
  124   HD11  LEU  16          HD11      LEU  16  11.012  -9.772   6.422
  125   HD12  LEU  16          HD12      LEU  16  12.367  -9.007   5.592
  126   HD13  LEU  16          HD13      LEU  16  10.714  -8.529   5.207
  127   HD21  LEU  16          HD21      LEU  16  12.669  -6.540   5.832
  128   HD22  LEU  16          HD22      LEU  16  13.559  -7.454   7.049
  129   HD23  LEU  16          HD23      LEU  16  12.620  -6.038   7.522
  130    HA   PRO  17           HA       PRO  17   6.241  -6.637  10.232
  131    HB2  PRO  17           HB2      PRO  17   5.163  -8.862  11.367
  132    HB3  PRO  17           HB3      PRO  17   4.618  -8.215   9.811
  133    HG2  PRO  17           HG3      PRO  17   6.188 -10.612  10.386
  134    HG3  PRO  17           HG2      PRO  17   5.209 -10.211   8.972
  135    HD2  PRO  17           HD3      PRO  17   8.070 -10.047   9.226
  136    HD3  PRO  17           HD2      PRO  17   7.075  -9.613   7.818
  137    H    ASP  18           H        ASP  18   8.699  -9.049  10.856
  138    HA   ASP  18           HA       ASP  18   8.618  -8.799  13.754
  139    HB2  ASP  18           HB3      ASP  18  10.699  -9.901  11.857
  140    HB3  ASP  18           HB2      ASP  18  10.831  -9.982  13.609
  141    H    VAL  19           H        VAL  19   9.529  -6.762  11.313
  142    HA   VAL  19           HA       VAL  19  11.540  -5.359  13.026
  143    HB   VAL  19           HB       VAL  19  11.111  -5.098  10.030
  144   HG11  VAL  19          HG11      VAL  19  13.690  -4.285  11.022
  145   HG12  VAL  19          HG12      VAL  19  12.427  -3.451  11.926
  146   HG13  VAL  19          HG13      VAL  19  12.485  -3.322  10.168
  147   HG21  VAL  19          HG21      VAL  19  13.131  -6.668  11.654
  148   HG22  VAL  19          HG22      VAL  19  13.355  -6.287   9.947
  149   HG23  VAL  19          HG23      VAL  19  12.000  -7.296  10.455
  150    H    ALA  20           H        ALA  20  11.097  -3.136  13.475
  151    HA   ALA  20           HA       ALA  20   8.364  -2.372  13.510
  152    HB1  ALA  20           HB1      ALA  20  10.949  -1.103  14.107
  153    HB2  ALA  20           HB2      ALA  20   9.424  -1.016  14.989
  154    HB3  ALA  20           HB3      ALA  20   9.697   0.029  13.594
  155    HA   PRO  21           HA       PRO  21   8.240  -1.396   9.076
  156    HB2  PRO  21           HB2      PRO  21   5.575  -0.403   9.294
  157    HB3  PRO  21           HB3      PRO  21   6.101  -1.970   8.665
  158    HG2  PRO  21           HG3      PRO  21   4.762  -1.401  11.114
  159    HG3  PRO  21           HG2      PRO  21   5.237  -2.968  10.447
  160    HD2  PRO  21           HD3      PRO  21   6.406  -1.563  12.664
  161    HD3  PRO  21           HD2      PRO  21   6.873  -3.138  11.992
  162    H    ALA  22           H        ALA  22   7.510   0.730  11.734
  163    HA   ALA  22           HA       ALA  22   7.325   3.166  10.171
  164    HB1  ALA  22           HB1      ALA  22   6.898   4.169  12.170
  165    HB2  ALA  22           HB2      ALA  22   8.260   3.381  12.966
  166    HB3  ALA  22           HB3      ALA  22   6.738   2.515  12.760
  167    H    ASP  23           H        ASP  23   9.943   1.170  11.133
  168    HA   ASP  23           HA       ASP  23  11.895   3.382  11.068
  169    HB2  ASP  23           HB3      ASP  23  13.556   1.712  11.650
  170    HB3  ASP  23           HB2      ASP  23  12.151   1.488  12.688
  171    H    VAL  24           H        VAL  24  10.225   2.022   8.733
  172    HA   VAL  24           HA       VAL  24  12.490   1.423   6.915
  173    HB   VAL  24           HB       VAL  24   9.500   1.324   6.400
  174   HG11  VAL  24          HG11      VAL  24  11.866   1.029   4.724
  175   HG12  VAL  24          HG12      VAL  24  10.169   1.134   4.252
  176   HG13  VAL  24          HG13      VAL  24  10.865  -0.423   4.700
  177   HG21  VAL  24          HG21      VAL  24  11.266  -1.083   6.731
  178   HG22  VAL  24          HG22      VAL  24   9.527  -0.935   6.984
  179   HG23  VAL  24          HG23      VAL  24  10.650  -0.266   8.167
  180    H    ASP  25           H        ASP  25  13.117   2.852   5.319
  181    HA   ASP  25           HA       ASP  25  12.346   5.597   5.528
  182    HB2  ASP  25           HB3      ASP  25  13.744   4.096   3.294
  183    HB3  ASP  25           HB2      ASP  25  13.592   5.852   3.362
  184    H    VAL  26           H        VAL  26   9.983   5.436   5.403
  185    HA   VAL  26           HA       VAL  26   8.597   4.399   3.129
  186    HB   VAL  26           HB       VAL  26   6.703   5.733   3.896
  187   HG11  VAL  26          HG11      VAL  26   7.427   3.728   5.224
  188   HG12  VAL  26          HG12      VAL  26   6.569   4.933   6.185
  189   HG13  VAL  26          HG13      VAL  26   8.325   4.812   6.286
  190   HG21  VAL  26          HG21      VAL  26   7.378   7.869   4.424
  191   HG22  VAL  26          HG22      VAL  26   8.899   7.325   5.130
  192   HG23  VAL  26          HG23      VAL  26   7.402   7.191   6.052
  193    H    ASP  27           H        ASP  27  10.888   6.711   3.079
  194    HA   ASP  27           HA       ASP  27   9.523   8.444   1.082
  195    HB2  ASP  27           HB3      ASP  27  12.218   8.677   2.460
  196    HB3  ASP  27           HB2      ASP  27  11.620   9.813   1.250
  197    H    LEU  28           H        LEU  28  10.967   5.564   1.060
  198    HA   LEU  28           HA       LEU  28  12.683   6.017  -1.321
  199    HB2  LEU  28           HB3      LEU  28  13.487   4.566   0.557
  200    HB3  LEU  28           HB2      LEU  28  12.158   3.461   0.221
  201    HG   LEU  28           HG       LEU  28  13.184   3.651  -2.263
  202   HD11  LEU  28          HD11      LEU  28  15.562   3.843  -2.255
  203   HD12  LEU  28          HD12      LEU  28  15.627   3.821  -0.492
  204   HD13  LEU  28          HD13      LEU  28  14.965   5.223  -1.332
  205   HD21  LEU  28          HD21      LEU  28  14.537   1.583  -1.648
  206   HD22  LEU  28          HD22      LEU  28  12.836   1.538  -1.182
  207   HD23  LEU  28          HD23      LEU  28  14.074   1.882   0.027
  208    H    ASP  29           H        ASP  29  12.068   5.320  -3.355
  209    HA   ASP  29           HA       ASP  29   9.311   4.797  -3.874
  210    HB2  ASP  29           HB3      ASP  29  11.772   4.223  -5.558
  211    HB3  ASP  29           HB2      ASP  29  10.114   4.107  -6.152
  212    H    LEU  30           H        LEU  30   8.219   2.947  -3.447
  213    HA   LEU  30           HA       LEU  30   9.540   0.592  -2.478
  214    HB2  LEU  30           HB3      LEU  30   7.268  -0.446  -2.643
  215    HB3  LEU  30           HB2      LEU  30   7.259   1.101  -1.795
  216    HG   LEU  30           HG       LEU  30   6.932   1.426  -4.676
  217   HD11  LEU  30          HD11      LEU  30   5.037  -0.350  -3.136
  218   HD12  LEU  30          HD12      LEU  30   5.755  -0.631  -4.722
  219   HD13  LEU  30          HD13      LEU  30   4.495   0.587  -4.527
  220   HD21  LEU  30          HD21      LEU  30   5.067   2.834  -3.921
  221   HD22  LEU  30          HD22      LEU  30   6.502   3.155  -2.948
  222   HD23  LEU  30          HD23      LEU  30   5.199   2.160  -2.298
  223    H    VAL  31           H        VAL  31   9.731   1.721  -5.489
  224    HA   VAL  31           HA       VAL  31   8.897  -0.320  -7.236
  225    HB   VAL  31           HB       VAL  31  10.048   1.938  -7.777
  226   HG11  VAL  31          HG11      VAL  31  12.422   1.943  -7.978
  227   HG12  VAL  31          HG12      VAL  31  12.521   0.201  -7.723
  228   HG13  VAL  31          HG13      VAL  31  12.090   1.265  -6.384
  229   HG21  VAL  31          HG21      VAL  31  10.374  -0.688  -9.176
  230   HG22  VAL  31          HG22      VAL  31  11.236   0.710  -9.821
  231   HG23  VAL  31          HG23      VAL  31   9.478   0.746  -9.679
  232    H    ASP  32           H        ASP  32  11.786  -0.144  -5.196
  233    HA   ASP  32           HA       ASP  32  13.051  -2.516  -6.184
  234    HB2  ASP  32           HB3      ASP  32  14.283  -2.529  -4.075
  235    HB3  ASP  32           HB2      ASP  32  14.140  -0.863  -4.636
  236    H    ASN  33           H        ASN  33  10.480  -1.905  -3.891
  237    HA   ASN  33           HA       ASN  33  10.238  -4.739  -3.146
  238    HB2  ASN  33           HB3      ASN  33   8.460  -2.385  -2.485
  239    HB3  ASN  33           HB2      ASN  33   8.380  -3.981  -1.744
  240   HD21  ASN  33          HD22      ASN  33   9.296  -1.057  -0.870
  241   HD22  ASN  33          HD21      ASN  33  10.706  -1.381   0.015
  242    H    GLY  34           H        GLY  34   9.769  -3.430  -5.918
  243    HA2  GLY  34           HA3      GLY  34   7.159  -3.398  -6.778
  244    HA3  GLY  34           HA2      GLY  34   8.446  -4.113  -7.749
  245    H    VAL  35           H        VAL  35   8.719  -6.036  -5.271
  246    HA   VAL  35           HA       VAL  35   7.467  -8.292  -6.400
  247    HB   VAL  35           HB       VAL  35   8.098  -7.640  -3.506
  248   HG11  VAL  35          HG11      VAL  35   6.635  -9.899  -4.691
  249   HG12  VAL  35          HG12      VAL  35   6.743  -9.388  -3.006
  250   HG13  VAL  35          HG13      VAL  35   8.015 -10.389  -3.708
  251   HG21  VAL  35          HG21      VAL  35  10.138  -8.655  -3.884
  252   HG22  VAL  35          HG22      VAL  35   9.835  -8.029  -5.505
  253   HG23  VAL  35          HG23      VAL  35   9.495  -9.720  -5.134
  254    H    ILE  36           H        ILE  36   6.201  -5.870  -4.161
  255    HA   ILE  36           HA       ILE  36   3.668  -7.172  -3.690
  256    HB   ILE  36           HB       ILE  36   4.818  -5.237  -2.375
  257   HG12  ILE  36          HG13      ILE  36   1.885  -5.434  -3.067
  258   HG13  ILE  36          HG12      ILE  36   2.713  -6.013  -1.624
  259   HG21  ILE  36          HG21      ILE  36   3.149  -3.554  -4.238
  260   HG22  ILE  36          HG22      ILE  36   4.850  -3.866  -4.585
  261   HG23  ILE  36          HG23      ILE  36   4.391  -3.033  -3.099
  262   HD11  ILE  36          HD11      ILE  36   2.088  -3.160  -2.387
  263   HD12  ILE  36          HD12      ILE  36   3.276  -3.558  -1.145
  264   HD13  ILE  36          HD13      ILE  36   1.590  -4.032  -0.937
  265    H    ASP  37           H        ASP  37   4.908  -5.140  -6.222
  266    HA   ASP  37           HA       ASP  37   2.520  -4.038  -7.242
  267    HB2  ASP  37           HB3      ASP  37   4.985  -4.944  -8.749
  268    HB3  ASP  37           HB2      ASP  37   3.707  -3.942  -9.428
  269    H    SER  38           H        SER  38   3.786  -7.315  -7.605
  270    HA   SER  38           HA       SER  38   1.476  -7.915  -9.404
  271    HB2  SER  38           2HB      SER  38   3.792  -9.776  -9.030
  272    HB3  SER  38           1HB      SER  38   2.744  -9.567 -10.431
  273    H    LEU  39           H        LEU  39   3.423  -9.761  -7.026
  274    HA   LEU  39           HA       LEU  39   1.263 -11.554  -6.460
  275    HB2  LEU  39           HB3      LEU  39   3.692 -12.053  -6.084
  276    HB3  LEU  39           HB2      LEU  39   3.645 -10.956  -4.708
  277    HG   LEU  39           HG       LEU  39   1.514 -13.005  -4.740
  278   HD11  LEU  39          HD11      LEU  39   3.024 -14.784  -3.942
  279   HD12  LEU  39          HD12      LEU  39   4.414 -13.742  -4.242
  280   HD13  LEU  39          HD13      LEU  39   3.432 -14.311  -5.591
  281   HD21  LEU  39          HD21      LEU  39   3.494 -11.985  -2.677
  282   HD22  LEU  39          HD22      LEU  39   2.190 -13.121  -2.337
  283   HD23  LEU  39          HD23      LEU  39   1.814 -11.478  -2.850
  284    H    GLY  40           H        GLY  40   2.605  -8.854  -4.557
  285    HA2  GLY  40           HA3      GLY  40   0.590  -9.055  -2.503
  286    HA3  GLY  40           HA2      GLY  40   1.668  -7.687  -2.748
  287    H    LEU  41           H        LEU  41   0.896  -7.135  -5.455
  288    HA   LEU  41           HA       LEU  41  -1.277  -5.367  -5.029
  289    HB2  LEU  41           HB3      LEU  41   0.395  -5.207  -6.878
  290    HB3  LEU  41           HB2      LEU  41  -0.395  -6.566  -7.671
  291    HG   LEU  41           HG       LEU  41  -1.918  -4.083  -6.859
  292   HD11  LEU  41          HD11      LEU  41  -1.566  -3.170  -9.064
  293   HD12  LEU  41          HD12      LEU  41  -0.679  -4.607  -9.571
  294   HD13  LEU  41          HD13      LEU  41   0.017  -3.520  -8.370
  295   HD21  LEU  41          HD21      LEU  41  -2.509  -6.579  -8.312
  296   HD22  LEU  41          HD22      LEU  41  -3.014  -5.127  -9.173
  297   HD23  LEU  41          HD23      LEU  41  -3.607  -5.438  -7.544
  298    H    LEU  42           H        LEU  42  -1.206  -8.642  -6.402
  299    HA   LEU  42           HA       LEU  42  -3.982  -8.735  -7.107
  300    HB2  LEU  42           HB3      LEU  42  -2.255 -10.408  -7.848
  301    HB3  LEU  42           HB2      LEU  42  -2.232 -11.040  -6.210
  302    HG   LEU  42           HG       LEU  42  -4.750 -11.373  -6.428
  303   HD11  LEU  42          HD11      LEU  42  -5.750 -10.609  -8.287
  304   HD12  LEU  42          HD12      LEU  42  -4.773 -11.713  -9.253
  305   HD13  LEU  42          HD13      LEU  42  -4.195 -10.083  -8.924
  306   HD21  LEU  42          HD21      LEU  42  -3.756 -13.426  -6.548
  307   HD22  LEU  42          HD22      LEU  42  -2.560 -12.886  -7.726
  308   HD23  LEU  42          HD23      LEU  42  -4.186 -13.317  -8.255
  309    H    LYS  43           H        LYS  43  -2.240  -9.659  -4.142
  310    HA   LYS  43           HA       LYS  43  -4.584 -10.534  -2.723
  311    HB2  LYS  43           HB3      LYS  43  -1.904  -9.550  -1.733
  312    HB3  LYS  43           HB2      LYS  43  -3.125 -10.302  -0.714
  313    HG2  LYS  43           HG3      LYS  43  -3.056 -12.317  -2.188
  314    HG3  LYS  43           HG2      LYS  43  -1.739 -11.569  -3.092
  315    HD2  LYS  43           HD3      LYS  43  -0.422 -11.425  -0.974
  316    HD3  LYS  43           HD2      LYS  43  -1.714 -12.296  -0.149
  317    HE2  LYS  43           HE3      LYS  43  -0.101 -13.326  -2.501
  318    HE3  LYS  43           HE2      LYS  43   0.060 -13.854  -0.826
  319    HZ1  LYS  43           HZ1      LYS  43  -2.020 -14.454  -2.771
  320    HZ2  LYS  43           HZ2      LYS  43  -2.536 -14.208  -1.174
  321    HZ3  LYS  43           HZ3      LYS  43  -1.390 -15.414  -1.519
  322    H    VAL  44           H        VAL  44  -2.931  -7.423  -3.031
  323    HA   VAL  44           HA       VAL  44  -4.328  -6.031  -0.974
  324    HB   VAL  44           HB       VAL  44  -3.114  -5.058  -3.570
  325   HG11  VAL  44          HG11      VAL  44  -3.153  -2.819  -2.350
  326   HG12  VAL  44          HG12      VAL  44  -4.289  -3.558  -1.221
  327   HG13  VAL  44          HG13      VAL  44  -4.716  -3.400  -2.924
  328   HG21  VAL  44          HG21      VAL  44  -1.899  -6.093  -1.348
  329   HG22  VAL  44          HG22      VAL  44  -1.956  -4.379  -0.936
  330   HG23  VAL  44          HG23      VAL  44  -1.153  -4.905  -2.416
  331    H    ILE  45           H        ILE  45  -5.073  -6.362  -4.450
  332    HA   ILE  45           HA       ILE  45  -7.410  -4.736  -4.425
  333    HB   ILE  45           HB       ILE  45  -6.285  -6.853  -6.194
  334   HG12  ILE  45          HG13      ILE  45  -6.457  -5.110  -7.846
  335   HG13  ILE  45          HG12      ILE  45  -7.541  -4.168  -6.823
  336   HG21  ILE  45          HG21      ILE  45  -8.422  -6.622  -7.603
  337   HG22  ILE  45          HG22      ILE  45  -9.193  -6.042  -6.127
  338   HG23  ILE  45          HG23      ILE  45  -8.511  -7.668  -6.187
  339   HD11  ILE  45          HD11      ILE  45  -4.859  -4.883  -5.717
  340   HD12  ILE  45          HD12      ILE  45  -5.835  -3.441  -5.445
  341   HD13  ILE  45          HD13      ILE  45  -4.932  -3.624  -6.948
  342    H    ALA  46           H        ALA  46  -7.020  -8.254  -3.988
  343    HA   ALA  46           HA       ALA  46  -9.802  -8.810  -3.604
  344    HB1  ALA  46           HB1      ALA  46  -7.237 -10.209  -2.910
  345    HB2  ALA  46           HB2      ALA  46  -8.520 -10.719  -4.009
  346    HB3  ALA  46           HB3      ALA  46  -8.760 -10.821  -2.265
  347    H    TRP  47           H        TRP  47  -7.206  -7.944  -1.344
  348    HA   TRP  47           HA       TRP  47  -8.869  -8.251   1.014
  349    HB2  TRP  47           HB3      TRP  47  -6.644  -8.400   1.597
  350    HB3  TRP  47           HB2      TRP  47  -6.143  -7.199   0.408
  351    HD1  TRP  47           HD1      TRP  47  -7.709  -7.490   3.896
  352    HE1  TRP  47           HE1      TRP  47  -7.411  -5.234   5.114
  353    HE3  TRP  47           HE3      TRP  47  -5.792  -4.681   0.093
  354    HZ2  TRP  47           HZ2      TRP  47  -6.472  -2.588   4.542
  355    HZ3  TRP  47           HZ3      TRP  47  -5.203  -2.305   0.452
  356    HH2  TRP  47           HH2      TRP  47  -5.540  -1.259   2.665
  357    H    LEU  48           H        LEU  48  -7.865  -5.491  -0.998
  358    HA   LEU  48           HA       LEU  48  -8.976  -3.436   0.598
  359    HB2  LEU  48           HB3      LEU  48  -7.519  -3.135  -1.447
  360    HB3  LEU  48           HB2      LEU  48  -8.926  -3.508  -2.425
  361    HG   LEU  48           HG       LEU  48 -10.132  -1.639  -1.230
  362   HD11  LEU  48          HD11      LEU  48  -7.631  -1.649   0.212
  363   HD12  LEU  48          HD12      LEU  48  -9.103  -0.744   0.558
  364   HD13  LEU  48          HD13      LEU  48  -7.893  -0.074  -0.535
  365   HD21  LEU  48          HD21      LEU  48  -7.650  -0.750  -2.715
  366   HD22  LEU  48          HD22      LEU  48  -9.227   0.039  -2.688
  367   HD23  LEU  48          HD23      LEU  48  -9.027  -1.503  -3.521
  368    H    GLU  49           H        GLU  49 -10.480  -5.340  -2.022
  369    HA   GLU  49           HA       GLU  49 -13.049  -4.063  -1.784
  370    HB2  GLU  49           HB3      GLU  49 -12.642  -5.225  -3.814
  371    HB3  GLU  49           HB2      GLU  49 -12.121  -6.677  -2.979
  372    HG2  GLU  49           HG3      GLU  49 -14.408  -7.058  -2.179
  373    HG3  GLU  49           HG2      GLU  49 -14.940  -5.575  -2.956
  374    H    ASP  50           H        ASP  50 -11.601  -6.936  -0.310
  375    HA   ASP  50           HA       ASP  50 -13.960  -7.844   1.030
  376    HB2  ASP  50           HB3      ASP  50 -11.844  -9.160   0.697
  377    HB3  ASP  50           HB2      ASP  50 -11.104  -8.163   1.948
  378    H    ARG  51           H        ARG  51 -11.344  -5.668   2.049
  379    HA   ARG  51           HA       ARG  51 -12.228  -5.335   4.737
  380    HB2  ARG  51           HB3      ARG  51  -9.982  -4.675   3.885
  381    HB3  ARG  51           HB2      ARG  51 -10.736  -3.324   3.036
  382    HG2  ARG  51           HG3      ARG  51 -11.595  -2.455   5.183
  383    HG3  ARG  51           HG2      ARG  51 -10.826  -3.797   6.031
  384    HD2  ARG  51           HD3      ARG  51  -8.621  -3.046   5.145
  385    HD3  ARG  51           HD2      ARG  51  -9.419  -1.654   4.412
  386    HE   ARG  51           HE       ARG  51  -9.895  -1.925   7.290
  387   HH11  ARG  51          HH22      ARG  51  -7.928  -0.689   4.743
  388   HH12  ARG  51          HH21      ARG  51  -7.267   0.596   5.698
  389   HH21  ARG  51          HH11      ARG  51  -9.044  -0.253   8.552
  390   HH22  ARG  51          HH12      ARG  51  -7.899   0.843   7.854
  391    H    PHE  52           H        PHE  52 -12.971  -3.365   1.824
  392    HA   PHE  52           HA       PHE  52 -14.958  -1.890   3.482
  393    HB2  PHE  52           HB3      PHE  52 -13.712  -1.257   0.797
  394    HB3  PHE  52           HB2      PHE  52 -14.938  -0.271   1.583
  395    HD1  PHE  52           HD1      PHE  52 -14.455   0.757   3.837
  396    HD2  PHE  52           HD2      PHE  52 -11.427  -1.160   1.468
  397    HE1  PHE  52           HE1      PHE  52 -12.696   1.876   5.180
  398    HE2  PHE  52           HE2      PHE  52  -9.668  -0.041   2.811
  399    HZ   PHE  52           HZ       PHE  52 -10.302   1.477   4.667
  400    H    GLY  53           H        GLY  53 -14.786  -4.397   1.209
  401    HA2  GLY  53           HA3      GLY  53 -16.528  -5.583   0.153
  402    HA3  GLY  53           HA2      GLY  53 -17.666  -4.554   1.021
  403    H    ILE  54           H        ILE  54 -15.163  -3.133  -0.974
  404    HA   ILE  54           HA       ILE  54 -17.293  -2.324  -2.924
  405    HB   ILE  54           HB       ILE  54 -16.088  -0.248  -3.226
  406   HG12  ILE  54          HG13      ILE  54 -14.017  -1.555  -1.437
  407   HG13  ILE  54          HG12      ILE  54 -13.806  -1.047  -3.112
  408   HG21  ILE  54          HG21      ILE  54 -16.144  -0.871  -0.260
  409   HG22  ILE  54          HG22      ILE  54 -17.583  -0.509  -1.213
  410   HG23  ILE  54          HG23      ILE  54 -16.326   0.712  -1.015
  411   HD11  ILE  54          HD11      ILE  54 -14.048   0.652  -0.647
  412   HD12  ILE  54          HD12      ILE  54 -14.475   1.314  -2.225
  413   HD13  ILE  54          HD13      ILE  54 -12.839   0.725  -1.928
  414    H    ALA  55           H        ALA  55 -16.675  -2.228  -5.156
  415    HA   ALA  55           HA       ALA  55 -14.958  -4.328  -6.038
  416    HB1  ALA  55           HB1      ALA  55 -15.098  -2.748  -8.235
  417    HB2  ALA  55           HB2      ALA  55 -16.452  -2.098  -7.310
  418    HB3  ALA  55           HB3      ALA  55 -16.412  -3.811  -7.731
  419    H    ALA  56           H        ALA  56 -12.907  -4.149  -7.168
  420    HA   ALA  56           HA       ALA  56 -10.947  -2.626  -5.842
  421    HB1  ALA  56           HB1      ALA  56  -9.448  -3.230  -7.663
  422    HB2  ALA  56           HB2      ALA  56 -10.816  -3.573  -8.722
  423    HB3  ALA  56           HB3      ALA  56 -10.504  -4.602  -7.324
  424    H    ASP  57           H        ASP  57 -13.040  -1.773  -8.515
  425    HA   ASP  57           HA       ASP  57 -13.339   0.242  -9.667
  426    HB2  ASP  57           HB3      ASP  57 -12.080   1.301  -7.131
  427    HB3  ASP  57           HB2      ASP  57 -12.855   2.306  -8.352
  428    H    ASP  58           H        ASP  58 -11.098  -1.167 -10.499
  429    HA   ASP  58           HA       ASP  58  -9.251   1.073 -11.181
  430    HB2  ASP  58           HB3      ASP  58  -8.461  -1.729 -10.364
  431    HB3  ASP  58           HB2      ASP  58  -7.353  -0.546 -11.055
  432    H    VAL  59           H        VAL  59  -9.882   1.308 -13.312
  433    HA   VAL  59           HA       VAL  59 -10.726  -0.814 -15.014
  434    HB   VAL  59           HB       VAL  59  -9.480   1.837 -15.760
  435   HG11  VAL  59          HG11      VAL  59 -11.438   0.861 -17.616
  436   HG12  VAL  59          HG12      VAL  59 -10.226  -0.394 -17.363
  437   HG13  VAL  59          HG13      VAL  59  -9.735   1.211 -17.906
  438   HG21  VAL  59          HG21      VAL  59 -12.110   1.034 -14.719
  439   HG22  VAL  59          HG22      VAL  59 -12.198   1.988 -16.200
  440   HG23  VAL  59          HG23      VAL  59 -11.369   2.634 -14.784
  441    H    GLU  60           H        GLU  60  -7.530   0.723 -14.637
  442    HA   GLU  60           HA       GLU  60  -6.336  -1.749 -15.780
  443    HB2  GLU  60           HB3      GLU  60  -5.679   1.061 -16.698
  444    HB3  GLU  60           HB2      GLU  60  -4.806  -0.391 -17.180
  445    HG2  GLU  60           HG3      GLU  60  -6.881  -1.323 -18.111
  446    HG3  GLU  60           HG2      GLU  60  -7.736   0.143 -17.651
  447    H    LEU  61           H        LEU  61  -4.334  -2.262 -14.892
  448    HA   LEU  61           HA       LEU  61  -3.452  -0.508 -12.647
  449    HB2  LEU  61           HB3      LEU  61  -2.538  -3.343 -12.944
  450    HB3  LEU  61           HB2      LEU  61  -2.846  -2.420 -11.477
  451    HG   LEU  61           HG       LEU  61  -4.928  -3.522 -13.371
  452   HD11  LEU  61          HD11      LEU  61  -5.178  -5.252 -11.926
  453   HD12  LEU  61          HD12      LEU  61  -4.983  -4.216 -10.512
  454   HD13  LEU  61          HD13      LEU  61  -3.563  -4.812 -11.372
  455   HD21  LEU  61          HD21      LEU  61  -5.037  -1.416 -11.321
  456   HD22  LEU  61          HD22      LEU  61  -6.229  -2.691 -11.086
  457   HD23  LEU  61          HD23      LEU  61  -6.188  -1.795 -12.604
  458    H    SER  62           H        SER  62  -1.390   0.349 -12.747
  459    HA   SER  62           HA       SER  62   0.486  -0.788 -14.750
  460    HB2  SER  62           HB3      SER  62   1.073   1.858 -14.889
  461    HB3  SER  62           HB2      SER  62  -0.025   1.047 -16.000
  462    HG   SER  62           HG       SER  62  -1.729   1.628 -14.560
  463    HA   PRO  63           HA       PRO  63   3.485  -0.556 -11.513
  464    HB2  PRO  63           HB2      PRO  63   5.719   0.235 -12.956
  465    HB3  PRO  63           HB3      PRO  63   5.116  -1.428 -12.861
  466    HG2  PRO  63           HG3      PRO  63   4.775   0.592 -15.007
  467    HG3  PRO  63           HG2      PRO  63   4.981  -1.164 -15.125
  468    HD2  PRO  63           HD3      PRO  63   2.562   0.043 -15.445
  469    HD3  PRO  63           HD2      PRO  63   2.732  -1.590 -14.764
  470    H    GLU  64           H        GLU  64   3.064   2.223 -13.607
  471    HA   GLU  64           HA       GLU  64   4.676   4.116 -12.252
  472    HB2  GLU  64           HB3      GLU  64   3.543   4.502 -14.438
  473    HB3  GLU  64           HB2      GLU  64   2.016   4.629 -13.578
  474    HG2  GLU  64           HG3      GLU  64   2.964   6.489 -12.236
  475    HG3  GLU  64           HG2      GLU  64   4.429   6.402 -13.206
  476    H    HIS  65           H        HIS  65   1.479   2.863 -11.512
  477    HA   HIS  65           HA       HIS  65   0.809   4.849  -9.532
  478    HB2  HIS  65           HB3      HIS  65  -0.884   3.428 -10.628
  479    HB3  HIS  65           HB2      HIS  65  -0.200   2.008  -9.836
  480    HD1  HIS  65           HD1      HIS  65  -1.464   5.447  -8.731
  481    HD2  HIS  65           HD2      HIS  65  -1.502   1.471  -7.469
  482    HE1  HIS  65           HE1      HIS  65  -2.804   5.388  -6.582
  483    HE2  HIS  65           HE2      HIS  65  -2.837   2.973  -5.807
  484    H    PHE  66           H        PHE  66   2.715   1.903  -9.398
  485    HA   PHE  66           HA       PHE  66   2.700   2.019  -6.428
  486    HB2  PHE  66           HB3      PHE  66   3.787  -0.055  -8.347
  487    HB3  PHE  66           HB2      PHE  66   3.864  -0.177  -6.588
  488    HD1  PHE  66           HD2      PHE  66   1.842  -0.508  -5.249
  489    HD2  PHE  66           HD1      PHE  66   1.659  -0.238  -9.532
  490    HE1  PHE  66           HE2      PHE  66  -0.475  -1.389  -5.205
  491    HE2  PHE  66           HE1      PHE  66  -0.659  -1.117  -9.488
  492    HZ   PHE  66           HZ       PHE  66  -1.727  -1.693  -7.324
  493    H    ARG  67           H        ARG  67   4.432   3.591  -8.687
  494    HA   ARG  67           HA       ARG  67   7.148   3.004  -8.070
  495    HB2  ARG  67           HB3      ARG  67   5.860   5.623  -8.885
  496    HB3  ARG  67           HB2      ARG  67   7.599   5.356  -8.819
  497    HG2  ARG  67           HG3      ARG  67   5.826   3.520 -10.400
  498    HG3  ARG  67           HG2      ARG  67   6.403   5.032 -11.097
  499    HD2  ARG  67           HD3      ARG  67   8.753   4.290 -10.474
  500    HD3  ARG  67           HD2      ARG  67   8.070   2.711 -10.089
  501    HE   ARG  67           HE       ARG  67   7.149   3.098 -12.624
  502   HH11  ARG  67          HH22      ARG  67  10.221   3.505 -11.113
  503   HH12  ARG  67          HH21      ARG  67  11.123   3.139 -12.545
  504   HH21  ARG  67          HH11      ARG  67   8.310   2.619 -14.504
  505   HH22  ARG  67          HH12      ARG  67  10.041   2.638 -14.465
  506    H    SER  68           H        SER  68   4.795   5.071  -6.401
  507    HA   SER  68           HA       SER  68   6.717   5.189  -4.123
  508    HB2  SER  68           HB3      SER  68   6.265   7.549  -3.772
  509    HB3  SER  68           HB2      SER  68   6.826   7.325  -5.426
  510    HG   SER  68           HG       SER  68   4.320   8.023  -4.447
  511    H    ILE  69           H        ILE  69   5.708   5.383  -2.059
  512    HA   ILE  69           HA       ILE  69   3.174   4.082  -1.795
  513    HB   ILE  69           HB       ILE  69   4.740   5.732   0.209
  514   HG12  ILE  69          HG13      ILE  69   4.644   2.737  -0.164
  515   HG13  ILE  69          HG12      ILE  69   5.918   3.755  -0.821
  516   HG21  ILE  69          HG21      ILE  69   3.265   3.636   1.394
  517   HG22  ILE  69          HG22      ILE  69   2.160   4.493   0.321
  518   HG23  ILE  69          HG23      ILE  69   3.015   5.370   1.589
  519   HD11  ILE  69          HD11      ILE  69   5.529   4.433   1.938
  520   HD12  ILE  69          HD12      ILE  69   6.969   3.768   1.167
  521   HD13  ILE  69          HD13      ILE  69   5.732   2.686   1.804
  522    H    ARG  70           H        ARG  70   4.152   7.484  -1.745
  523    HA   ARG  70           HA       ARG  70   1.735   8.592  -0.748
  524    HB2  ARG  70           HB3      ARG  70   3.714   9.741  -2.737
  525    HB3  ARG  70           HB2      ARG  70   2.460  10.671  -1.917
  526    HG2  ARG  70           HG3      ARG  70   3.435   9.972   0.275
  527    HG3  ARG  70           HG2      ARG  70   4.744   9.177  -0.599
  528    HD2  ARG  70           HD3      ARG  70   4.062  12.130  -0.701
  529    HD3  ARG  70           HD2      ARG  70   5.461  11.412   0.096
  530    HE   ARG  70           HE       ARG  70   5.131  11.793  -2.799
  531   HH11  ARG  70          HH22      ARG  70   6.742  10.231  -0.182
  532   HH12  ARG  70          HH21      ARG  70   8.162   9.863  -1.102
  533   HH21  ARG  70          HH11      ARG  70   6.977  11.322  -4.015
  534   HH22  ARG  70          HH12      ARG  70   8.295  10.480  -3.272
  535    H    SER  71           H        SER  71   2.638   7.632  -4.050
  536    HA   SER  71           HA       SER  71   0.445   8.819  -5.407
  537    HB2  SER  71           HB3      SER  71   2.427   7.689  -6.487
  538    HB3  SER  71           HB2      SER  71   1.703   6.140  -6.064
  539    HG   SER  71           HG       SER  71   1.157   6.867  -8.190
  540    H    ILE  72           H        ILE  72   0.710   5.591  -3.893
  541    HA   ILE  72           HA       ILE  72  -1.973   4.800  -4.538
  542    HB   ILE  72           HB       ILE  72  -0.148   3.861  -2.306
  543   HG12  ILE  72          HG13      ILE  72  -0.606   2.725  -5.084
  544   HG13  ILE  72          HG12      ILE  72   0.806   3.674  -4.615
  545   HG21  ILE  72          HG21      ILE  72  -2.865   3.258  -2.959
  546   HG22  ILE  72          HG22      ILE  72  -1.857   2.540  -1.704
  547   HG23  ILE  72          HG23      ILE  72  -1.879   1.844  -3.324
  548   HD11  ILE  72          HD11      ILE  72   1.757   1.737  -3.960
  549   HD12  ILE  72          HD12      ILE  72   0.236   0.861  -4.126
  550   HD13  ILE  72          HD13      ILE  72   0.601   1.719  -2.629
  551    H    ASP  73           H        ASP  73  -0.509   6.337  -1.686
  552    HA   ASP  73           HA       ASP  73  -2.783   6.253   0.008
  553    HB2  ASP  73           HB3      ASP  73  -0.445   6.941   0.666
  554    HB3  ASP  73           HB2      ASP  73  -0.749   8.493  -0.115
  555    H    ALA  74           H        ALA  74  -1.858   8.636  -2.472
  556    HA   ALA  74           HA       ALA  74  -3.958  10.492  -1.879
  557    HB1  ALA  74           HB1      ALA  74  -1.864  10.254  -3.796
  558    HB2  ALA  74           HB2      ALA  74  -2.850  11.672  -3.439
  559    HB3  ALA  74           HB3      ALA  74  -3.365  10.529  -4.680
  560    H    PHE  75           H        PHE  75  -3.777   7.794  -4.200
  561    HA   PHE  75           HA       PHE  75  -6.371   8.196  -5.324
  562    HB2  PHE  75           HB3      PHE  75  -4.632   6.712  -6.305
  563    HB3  PHE  75           HB2      PHE  75  -4.895   5.581  -4.979
  564    HD1  PHE  75           HD1      PHE  75  -6.442   7.162  -7.948
  565    HD2  PHE  75           HD2      PHE  75  -6.851   4.175  -4.889
  566    HE1  PHE  75           HE1      PHE  75  -8.361   6.174  -9.170
  567    HE2  PHE  75           HE2      PHE  75  -8.769   3.187  -6.110
  568    HZ   PHE  75           HZ       PHE  75  -9.524   4.186  -8.251
  569    H    VAL  76           H        VAL  76  -5.291   6.156  -2.602
  570    HA   VAL  76           HA       VAL  76  -7.868   5.077  -2.018
  571    HB   VAL  76           HB       VAL  76  -5.409   5.510  -0.307
  572   HG11  VAL  76          HG11      VAL  76  -8.076   4.250   0.300
  573   HG12  VAL  76          HG12      VAL  76  -7.152   5.394   1.272
  574   HG13  VAL  76          HG13      VAL  76  -6.612   3.722   1.129
  575   HG21  VAL  76          HG21      VAL  76  -5.973   3.710  -2.365
  576   HG22  VAL  76          HG22      VAL  76  -6.292   2.788  -0.896
  577   HG23  VAL  76          HG23      VAL  76  -4.711   3.528  -1.147
  578    H    VAL  77           H        VAL  77  -6.155   7.950  -0.756
  579    HA   VAL  77           HA       VAL  77  -8.109   8.685   1.172
  580    HB   VAL  77           HB       VAL  77  -6.134  10.317  -0.440
  581   HG11  VAL  77          HG11      VAL  77  -6.581  12.051   1.371
  582   HG12  VAL  77          HG12      VAL  77  -8.027  11.125   1.770
  583   HG13  VAL  77          HG13      VAL  77  -7.857  11.849   0.172
  584   HG21  VAL  77          HG21      VAL  77  -4.688  10.016   1.331
  585   HG22  VAL  77          HG22      VAL  77  -5.617   8.525   1.496
  586   HG23  VAL  77          HG23      VAL  77  -5.992   9.917   2.513
  587    H    GLY  78           H        GLY  78  -7.800   9.500  -2.273
  588    HA2  GLY  78           HA3      GLY  78  -9.922  11.373  -2.422
  589    HA3  GLY  78           HA2      GLY  78  -9.366  10.385  -3.771
  590    H    ALA  79           H        ALA  79  -9.997   7.832  -2.418
  591    HA   ALA  79           HA       ALA  79 -12.942   7.940  -2.829
  592    HB1  ALA  79           HB1      ALA  79 -12.832   5.818  -3.706
  593    HB2  ALA  79           HB2      ALA  79 -11.491   5.345  -2.664
  594    HB3  ALA  79           HB3      ALA  79 -11.194   6.353  -4.080
  595    H    THR  80           H        THR  80 -10.545   6.363  -0.700
  596    HA   THR  80           HA       THR  80 -12.646   6.343   1.429
  597    HB   THR  80           HB       THR  80 -10.551   4.213   0.978
  598    HG1  THR  80           HG1      THR  80 -12.414   4.442  -0.544
  599   HG21  THR  80          HG21      THR  80 -12.720   4.672   2.999
  600   HG22  THR  80          HG22      THR  80 -11.057   4.145   3.255
  601   HG23  THR  80          HG23      THR  80 -12.243   3.025   2.587
  602    H    THR  81           H        THR  81 -11.978   7.066   3.421
  603    HA   THR  81           HA       THR  81  -9.067   7.606   3.776
  604    HB   THR  81           HB       THR  81  -9.987   9.746   3.334
  605    HG1  THR  81           HG1      THR  81 -10.358   9.817   6.083
  606   HG21  THR  81          HG21      THR  81 -12.062  10.345   4.942
  607   HG22  THR  81          HG22      THR  81 -12.334   8.611   4.765
  608   HG23  THR  81          HG23      THR  81 -12.276   9.645   3.337
  609    HA   PRO  82           HA       PRO  82 -10.637   5.249   7.401
  610    HB2  PRO  82           HB2      PRO  82  -8.568   3.501   7.579
  611    HB3  PRO  82           HB3      PRO  82  -9.914   3.274   6.446
  612    HG2  PRO  82           HG3      PRO  82  -7.149   4.199   5.937
  613    HG3  PRO  82           HG2      PRO  82  -8.239   3.262   4.905
  614    HD2  PRO  82           HD3      PRO  82  -7.730   6.015   4.674
  615    HD3  PRO  82           HD2      PRO  82  -9.081   5.144   3.918
  616    HA   PRO  83           HA       PRO  83  -8.307   7.285  10.557
  617    HB2  PRO  83           HB2      PRO  83  -8.227   5.321  12.514
  618    HB3  PRO  83           HB3      PRO  83  -9.613   6.384  12.207
  619    HG2  PRO  83           HG3      PRO  83  -9.164   3.570  11.375
  620    HG3  PRO  83           HG2      PRO  83 -10.660   4.382  11.866
  621    HD2  PRO  83           HD3      PRO  83 -10.078   3.839   9.259
  622    HD3  PRO  83           HD2      PRO  83 -11.046   5.247   9.751
  623    H    VAL  84           H        VAL  84  -6.171   7.412  11.438
  624    HA   VAL  84           HA       VAL  84  -4.299   5.353  10.354
  625    HB   VAL  84           HB       VAL  84  -3.716   8.175  11.301
  626   HG11  VAL  84          HG11      VAL  84  -1.777   6.712  11.492
  627   HG12  VAL  84          HG12      VAL  84  -1.557   7.773  10.101
  628   HG13  VAL  84          HG13      VAL  84  -2.043   6.095   9.861
  629   HG21  VAL  84          HG21      VAL  84  -3.523   7.327   8.443
  630   HG22  VAL  84          HG22      VAL  84  -3.922   8.906   9.118
  631   HG23  VAL  84          HG23      VAL  84  -5.133   7.624   9.096
  632    H    GLU  85           H        GLU  85  -3.195   4.085  11.767
  633    HA   GLU  85           HA       GLU  85  -2.793   5.000  14.551
  634    HB2  GLU  85           HB3      GLU  85  -4.166   2.397  13.809
  635    HB3  GLU  85           HB2      GLU  85  -3.609   2.807  15.431
  636    HG2  GLU  85           HG3      GLU  85  -5.645   4.386  13.828
  637    HG3  GLU  85           HG2      GLU  85  -6.020   3.290  15.156
  638    H    ALA  86           H        ALA  86  -1.364   4.069  11.891
  639    HA   ALA  86           HA       ALA  86   0.437   2.047  13.138
  640    HB1  ALA  86           HB1      ALA  86   0.968   1.311  10.999
  641    HB2  ALA  86           HB2      ALA  86   0.658   2.886  10.269
  642    HB3  ALA  86           HB3      ALA  86  -0.690   1.855  10.748
  643    H    LYS  87           H        LYS  87   2.720   2.403  13.105
  644    HA   LYS  87           HA       LYS  87   4.648   3.703  13.374
  645    HB2  LYS  87           HB3      LYS  87   3.318   5.444  11.271
  646    HB3  LYS  87           HB2      LYS  87   5.019   5.487  11.726
  647    HG2  LYS  87           HG3      LYS  87   5.211   3.083  11.055
  648    HG3  LYS  87           HG2      LYS  87   3.548   3.153  10.473
  649    HD2  LYS  87           HD3      LYS  87   4.205   5.033   8.959
  650    HD3  LYS  87           HD2      LYS  87   5.878   4.816   9.474
  651    HE2  LYS  87           HE3      LYS  87   4.298   3.240   7.577
  652    HE3  LYS  87           HE2      LYS  87   6.048   3.326   7.780
  653    HZ1  LYS  87           HZ1      LYS  87   4.197   1.774   9.508
  654    HZ2  LYS  87           HZ2      LYS  87   5.885   1.830   9.654
  655    HZ3  LYS  87           HZ3      LYS  87   5.176   1.119   8.283
  656    H    LEU  88           H        LEU  88   2.680   4.126  15.292
  657    HA   LEU  88           HA       LEU  88   1.866   6.826  15.658
  658    HB2  LEU  88           HB3      LEU  88   2.604   4.805  17.799
  659    HB3  LEU  88           HB2      LEU  88   1.605   6.240  18.026
  660    HG   LEU  88           HG       LEU  88   0.959   3.877  16.238
  661   HD11  LEU  88          HD11      LEU  88   0.688   3.567  18.727
  662   HD12  LEU  88          HD12      LEU  88  -0.816   3.429  17.817
  663   HD13  LEU  88          HD13      LEU  88  -0.458   4.906  18.711
  664   HD21  LEU  88          HD21      LEU  88  -0.060   5.630  15.107
  665   HD22  LEU  88          HD22      LEU  88  -0.227   6.609  16.564
  666   HD23  LEU  88          HD23      LEU  88  -1.318   5.252  16.284
  667    H    GLN  89           H        GLN  89   4.907   5.184  16.407
  668    HA   GLN  89           HA       GLN  89   6.183   6.973  18.091
  669    HB2  GLN  89           HB3      GLN  89   7.346   5.642  15.625
  670    HB3  GLN  89           HB2      GLN  89   8.301   6.380  16.912
  671    HG2  GLN  89           HG3      GLN  89   7.339   4.825  18.549
  672    HG3  GLN  89           HG2      GLN  89   6.333   4.104  17.291
  673   HE21  GLN  89          HE22      GLN  89   8.206   2.501  18.715
  674   HE22  GLN  89          HE21      GLN  89   9.450   2.042  17.655
  675    H1   PN7 101           3HO      SAT  38   4.005  -6.649 -13.818
  676    H2   PN7 101           1H1      SAT  38   5.157  -5.176 -11.029
  677    H3   PN7 101           2H1      SAT  38   3.554  -5.903 -10.945
  678    H5   PN7 101          3HE1      SAT  38   4.898  -3.377 -14.050
  679    H6   PN7 101          1HE1      SAT  38   4.944  -5.086 -14.482
  680    H7   PN7 101          2HE1      SAT  38   5.951  -4.482 -13.167
  681    H8   PN7 101          2HE2      SAT  38   3.166  -2.634 -12.767
  682    H9   PN7 101          3HE2      SAT  38   4.246  -2.964 -11.413
  683    H10  PN7 101          1HE2      SAT  38   2.580  -3.540 -11.372
  684    H11  PN7 101           3H       SAT  38   1.919  -5.554 -12.693
  685    H12  PN7 101           5H       SAT  38   0.725  -3.001 -13.755
  686    H13  PN7 101           2H6      SAT  38  -0.096  -4.738 -15.853
  687    H14  PN7 101           1H6      SAT  38  -1.172  -4.071 -14.626
  688    H15  PN7 101           1H7      SAT  38   0.575  -6.527 -14.274
  689    H16  PN7 101           2H7      SAT  38  -1.163  -6.549 -14.573
  690    H17  PN7 101           9H       SAT  38   0.591  -7.099 -11.697
  691    H18  PN7 101          2H10      SAT  38  -2.241  -6.869 -10.938
  692    H19  PN7 101          1H10      SAT  38  -1.074  -8.002 -10.255
  693    H20  PN7 101          1H11      SAT  38  -1.537  -8.567 -13.065
  694    H21  PN7 101          2H11      SAT  38  -3.054  -8.576 -12.166
  695    H22  PN7 101          2HS1      SAT  38  -1.876 -10.309 -10.485
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1  -4.501  10.817   6.453
    2    H2   MET   1           H2       MET   1  -3.181  11.224   5.464
    3    H3   MET   1           H3       MET   1  -3.062  11.379   7.152
    4    HA   MET   1           HA       MET   1  -3.226   8.881   5.568
    5    HB2  MET   1           HB3      MET   1  -1.159  10.159   7.363
    6    HB3  MET   1           HB2      MET   1  -1.105   8.448   6.939
    7    HG2  MET   1           HG3      MET   1  -1.133   9.069   4.534
    8    HG3  MET   1           HG2      MET   1  -1.091  10.771   4.994
    9    HE1  MET   1           HE1      MET   1   2.156  11.399   6.646
   10    HE2  MET   1           HE2      MET   1   1.087  10.471   7.695
   11    HE3  MET   1           HE3      MET   1   0.420  11.693   6.603
   12    H    GLN   2           H        GLN   2  -4.725   7.589   6.496
   13    HA   GLN   2           HA       GLN   2  -4.914   7.550   9.479
   14    HB2  GLN   2           HB3      GLN   2  -6.866   6.575   7.367
   15    HB3  GLN   2           HB2      GLN   2  -7.118   6.459   9.110
   16    HG2  GLN   2           HG3      GLN   2  -6.997   8.908   9.305
   17    HG3  GLN   2           HG2      GLN   2  -6.713   9.040   7.569
   18   HE21  GLN   2          HE22      GLN   2  -8.986  10.292   8.733
   19   HE22  GLN   2          HE21      GLN   2 -10.385   9.484   8.209
   20    H    HIS   3           H        HIS   3  -4.504   5.608  10.555
   21    HA   HIS   3           HA       HIS   3  -3.398   3.533  10.792
   22    HB2  HIS   3           HB3      HIS   3  -5.636   3.136   8.836
   23    HB3  HIS   3           HB2      HIS   3  -4.518   1.802   9.122
   24    HD1  HIS   3           HD1      HIS   3  -6.138   0.353  10.490
   25    HD2  HIS   3           HD2      HIS   3  -5.647   4.186  12.062
   26    HE1  HIS   3           HE1      HIS   3  -7.224   0.334  12.780
   27    HE2  HIS   3           HE2      HIS   3  -6.930   2.661  13.745
   28    H    ALA   4           H        ALA   4  -2.196   5.456   8.895
   29    HA   ALA   4           HA       ALA   4  -1.350   4.206   6.486
   30    HB1  ALA   4           HB1      ALA   4  -0.563   6.315   6.324
   31    HB2  ALA   4           HB2      ALA   4   0.803   5.775   7.299
   32    HB3  ALA   4           HB3      ALA   4  -0.588   6.533   8.074
   33    H    SER   5           H        SER   5  -0.034   4.056   9.780
   34    HA   SER   5           HA       SER   5   2.378   2.683   9.156
   35    HB2  SER   5           HB3      SER   5   0.688   2.358  11.651
   36    HB3  SER   5           HB2      SER   5   2.407   2.007  11.496
   37    HG   SER   5           HG       SER   5   2.430   4.020  12.252
   38    H    VAL   6           H        VAL   6  -0.902   1.473   9.758
   39    HA   VAL   6           HA       VAL   6  -0.205  -1.310   9.726
   40    HB   VAL   6           HB       VAL   6  -2.788   0.108   9.059
   41   HG11  VAL   6          HG11      VAL   6  -3.796  -2.185   9.417
   42   HG12  VAL   6          HG12      VAL   6  -2.160  -2.840   9.357
   43   HG13  VAL   6          HG13      VAL   6  -2.839  -2.032   7.943
   44   HG21  VAL   6          HG21      VAL   6  -2.170   0.380  11.375
   45   HG22  VAL   6          HG22      VAL   6  -1.732  -1.323  11.510
   46   HG23  VAL   6          HG23      VAL   6  -3.422  -0.860  11.312
   47    H    ILE   7           H        ILE   7  -1.158   0.972   7.201
   48    HA   ILE   7           HA       ILE   7  -1.371  -0.869   5.052
   49    HB   ILE   7           HB       ILE   7  -0.413   2.007   5.002
   50   HG12  ILE   7          HG13      ILE   7  -3.191   0.851   4.589
   51   HG13  ILE   7          HG12      ILE   7  -2.646   1.617   6.081
   52   HG21  ILE   7          HG21      ILE   7   0.101   0.875   2.909
   53   HG22  ILE   7          HG22      ILE   7  -1.295   1.922   2.653
   54   HG23  ILE   7          HG23      ILE   7  -1.519   0.183   2.844
   55   HD11  ILE   7          HD11      ILE   7  -1.956   3.562   4.378
   56   HD12  ILE   7          HD12      ILE   7  -3.578   3.458   5.059
   57   HD13  ILE   7          HD13      ILE   7  -3.263   2.848   3.435
   58    H    ALA   8           H        ALA   8   1.447   0.996   6.197
   59    HA   ALA   8           HA       ALA   8   3.276  -0.026   4.249
   60    HB1  ALA   8           HB1      ALA   8   5.016   0.611   6.035
   61    HB2  ALA   8           HB2      ALA   8   3.646   1.154   7.003
   62    HB3  ALA   8           HB3      ALA   8   3.975   1.904   5.441
   63    H    GLN   9           H        GLN   9   2.637  -1.058   7.606
   64    HA   GLN   9           HA       GLN   9   4.442  -3.295   7.449
   65    HB2  GLN   9           HB3      GLN   9   3.881  -3.697   9.633
   66    HB3  GLN   9           HB2      GLN   9   3.280  -2.046   9.518
   67    HG2  GLN   9           HG3      GLN   9   1.474  -3.210  10.465
   68    HG3  GLN   9           HG2      GLN   9   1.057  -3.143   8.757
   69   HE21  GLN   9          HE22      GLN   9  -0.044  -5.140   8.494
   70   HE22  GLN   9          HE21      GLN   9   0.651  -6.649   8.839
   71    H    PHE  10           H        PHE  10   1.016  -2.892   6.735
   72    HA   PHE  10           HA       PHE  10   0.372  -5.675   6.544
   73    HB2  PHE  10           HB3      PHE  10  -1.323  -3.862   6.655
   74    HB3  PHE  10           HB2      PHE  10  -0.855  -3.353   5.033
   75    HD1  PHE  10           HD1      PHE  10  -2.385  -6.080   7.021
   76    HD2  PHE  10           HD2      PHE  10  -1.523  -4.596   3.083
   77    HE1  PHE  10           HE1      PHE  10  -3.910  -7.776   6.047
   78    HE2  PHE  10           HE2      PHE  10  -3.048  -6.292   2.110
   79    HZ   PHE  10           HZ       PHE  10  -4.241  -7.880   3.592
   80    H    VAL  11           H        VAL  11   1.245  -3.332   3.987
   81    HA   VAL  11           HA       VAL  11   1.334  -5.381   1.946
   82    HB   VAL  11           HB       VAL  11   2.337  -3.595   0.557
   83   HG11  VAL  11          HG11      VAL  11  -0.183  -3.767   1.234
   84   HG12  VAL  11          HG12      VAL  11   0.386  -2.304   0.429
   85   HG13  VAL  11          HG13      VAL  11   0.153  -2.316   2.178
   86   HG21  VAL  11          HG21      VAL  11   3.709  -2.228   1.775
   87   HG22  VAL  11          HG22      VAL  11   2.751  -2.413   3.244
   88   HG23  VAL  11          HG23      VAL  11   2.229  -1.293   1.986
   89    H    VAL  12           H        VAL  12   3.797  -3.739   3.922
   90    HA   VAL  12           HA       VAL  12   6.058  -4.917   2.623
   91    HB   VAL  12           HB       VAL  12   5.775  -3.964   5.479
   92   HG11  VAL  12          HG11      VAL  12   7.755  -5.434   5.061
   93   HG12  VAL  12          HG12      VAL  12   8.210  -3.777   5.449
   94   HG13  VAL  12          HG13      VAL  12   8.257  -4.337   3.777
   95   HG21  VAL  12          HG21      VAL  12   6.236  -1.829   4.731
   96   HG22  VAL  12          HG22      VAL  12   5.386  -2.438   3.311
   97   HG23  VAL  12          HG23      VAL  12   7.149  -2.406   3.337
   98    H    GLU  13           H        GLU  13   4.004  -6.026   5.284
   99    HA   GLU  13           HA       GLU  13   5.571  -8.173   6.216
  100    HB2  GLU  13           HB3      GLU  13   3.436  -7.435   7.254
  101    HB3  GLU  13           HB2      GLU  13   2.569  -8.162   5.907
  102    HG2  GLU  13           HG3      GLU  13   3.602 -10.356   6.462
  103    HG3  GLU  13           HG2      GLU  13   4.361  -9.605   7.863
  104    H    GLU  14           H        GLU  14   3.492  -7.984   3.368
  105    HA   GLU  14           HA       GLU  14   3.598 -10.781   2.728
  106    HB2  GLU  14           HB3      GLU  14   3.160  -8.348   0.980
  107    HB3  GLU  14           HB2      GLU  14   2.953 -10.008   0.424
  108    HG2  GLU  14           HG3      GLU  14   1.468  -8.758   2.755
  109    HG3  GLU  14           HG2      GLU  14   0.801  -8.986   1.139
  110    H    PHE  15           H        PHE  15   5.772  -8.083   2.082
  111    HA   PHE  15           HA       PHE  15   7.709 -10.052   0.944
  112    HB2  PHE  15           HB3      PHE  15   7.836  -7.308  -0.160
  113    HB3  PHE  15           HB2      PHE  15   8.058  -8.859  -0.968
  114    HD1  PHE  15           HD1      PHE  15   6.122 -10.148  -1.787
  115    HD2  PHE  15           HD2      PHE  15   5.644  -6.298   0.056
  116    HE1  PHE  15           HE1      PHE  15   3.807 -10.015  -2.665
  117    HE2  PHE  15           HE2      PHE  15   3.329  -6.166  -0.818
  118    HZ   PHE  15           HZ       PHE  15   2.410  -8.023  -2.182
  119    H    LEU  16           H        LEU  16   7.682  -9.133   3.645
  120    HA   LEU  16           HA       LEU  16   9.550  -6.915   3.852
  121    HB2  LEU  16           HB3      LEU  16   9.114  -6.921   6.088
  122    HB3  LEU  16           HB2      LEU  16   7.715  -7.831   5.570
  123    HG   LEU  16           HG       LEU  16  10.310  -9.034   6.590
  124   HD11  LEU  16          HD11      LEU  16   8.264  -9.798   8.259
  125   HD12  LEU  16          HD12      LEU  16   7.828  -8.134   7.869
  126   HD13  LEU  16          HD13      LEU  16   9.401  -8.489   8.583
  127   HD21  LEU  16          HD21      LEU  16   9.524 -11.080   5.973
  128   HD22  LEU  16          HD22      LEU  16   8.445 -10.200   4.895
  129   HD23  LEU  16          HD23      LEU  16   7.884 -10.690   6.489
  130    HA   PRO  17           HA       PRO  17  13.115  -9.603   3.440
  131    HB2  PRO  17           HB2      PRO  17  15.056  -7.751   3.904
  132    HB3  PRO  17           HB3      PRO  17  14.128  -7.783   2.395
  133    HG2  PRO  17           HG3      PRO  17  13.796  -6.032   4.780
  134    HG3  PRO  17           HG2      PRO  17  13.696  -5.626   3.059
  135    HD2  PRO  17           HD3      PRO  17  11.496  -6.039   4.651
  136    HD3  PRO  17           HD2      PRO  17  11.509  -6.304   2.894
  137    H    ASP  18           H        ASP  18  15.467  -8.940   5.114
  138    HA   ASP  18           HA       ASP  18  14.601 -10.250   7.566
  139    HB2  ASP  18           HB3      ASP  18  16.970 -10.157   8.176
  140    HB3  ASP  18           HB2      ASP  18  16.814 -10.705   6.510
  141    H    VAL  19           H        VAL  19  13.986  -7.288   6.623
  142    HA   VAL  19           HA       VAL  19  14.700  -5.986   9.223
  143    HB   VAL  19           HB       VAL  19  13.942  -4.661   6.605
  144   HG11  VAL  19          HG11      VAL  19  15.132  -2.721   7.868
  145   HG12  VAL  19          HG12      VAL  19  14.844  -3.691   9.312
  146   HG13  VAL  19          HG13      VAL  19  13.484  -3.135   8.337
  147   HG21  VAL  19          HG21      VAL  19  16.034  -5.547   6.092
  148   HG22  VAL  19          HG22      VAL  19  16.573  -5.517   7.771
  149   HG23  VAL  19          HG23      VAL  19  16.503  -4.020   6.840
  150    H    ALA  20           H        ALA  20  13.025  -5.243  10.498
  151    HA   ALA  20           HA       ALA  20  10.333  -6.092   9.888
  152    HB1  ALA  20           HB1      ALA  20  10.951  -4.018  11.968
  153    HB2  ALA  20           HB2      ALA  20  11.495  -5.678  12.206
  154    HB3  ALA  20           HB3      ALA  20   9.776  -5.331  12.026
  155    HA   PRO  21           HA       PRO  21   9.025  -2.665   7.311
  156    HB2  PRO  21           HB2      PRO  21   6.532  -2.693   8.946
  157    HB3  PRO  21           HB3      PRO  21   6.727  -2.769   7.186
  158    HG2  PRO  21           HG3      PRO  21   6.093  -4.916   8.673
  159    HG3  PRO  21           HG2      PRO  21   7.041  -5.021   7.182
  160    HD2  PRO  21           HD3      PRO  21   7.928  -5.379   9.983
  161    HD3  PRO  21           HD2      PRO  21   8.656  -5.969   8.472
  162    H    ALA  22           H        ALA  22   8.670  -2.542  10.812
  163    HA   ALA  22           HA       ALA  22   8.260   0.327  10.955
  164    HB1  ALA  22           HB1      ALA  22   9.262  -0.334  13.403
  165    HB2  ALA  22           HB2      ALA  22   8.688  -1.908  12.850
  166    HB3  ALA  22           HB3      ALA  22   7.570  -0.547  12.950
  167    H    ASP  23           H        ASP  23  10.975  -1.658  10.377
  168    HA   ASP  23           HA       ASP  23  12.858   0.479  11.246
  169    HB2  ASP  23           HB3      ASP  23  13.323  -2.426  10.517
  170    HB3  ASP  23           HB2      ASP  23  14.608  -1.286  10.917
  171    H    VAL  24           H        VAL  24  11.137  -0.024   8.607
  172    HA   VAL  24           HA       VAL  24  13.406   0.308   6.696
  173    HB   VAL  24           HB       VAL  24  11.464  -1.424   6.376
  174   HG11  VAL  24          HG11      VAL  24   9.438  -0.630   5.509
  175   HG12  VAL  24          HG12      VAL  24  10.126   0.935   5.074
  176   HG13  VAL  24          HG13      VAL  24   9.795   0.556   6.763
  177   HG21  VAL  24          HG21      VAL  24  12.473   0.514   4.281
  178   HG22  VAL  24          HG22      VAL  24  11.510  -0.905   3.870
  179   HG23  VAL  24          HG23      VAL  24  13.082  -1.101   4.645
  180    H    ASP  25           H        ASP  25  13.569   2.198   5.476
  181    HA   ASP  25           HA       ASP  25  12.291   4.553   6.567
  182    HB2  ASP  25           HB3      ASP  25  13.962   4.140   4.070
  183    HB3  ASP  25           HB2      ASP  25  13.439   5.718   4.660
  184    H    VAL  26           H        VAL  26  10.018   4.091   6.269
  185    HA   VAL  26           HA       VAL  26   8.836   3.476   3.737
  186    HB   VAL  26           HB       VAL  26   6.735   4.210   4.745
  187   HG11  VAL  26          HG11      VAL  26   7.483   3.136   7.214
  188   HG12  VAL  26          HG12      VAL  26   8.646   2.455   6.076
  189   HG13  VAL  26          HG13      VAL  26   6.917   2.228   5.812
  190   HG21  VAL  26          HG21      VAL  26   7.360   6.295   5.747
  191   HG22  VAL  26          HG22      VAL  26   8.588   5.522   6.749
  192   HG23  VAL  26          HG23      VAL  26   6.878   5.242   7.078
  193    H    ASP  27           H        ASP  27  10.681   6.070   4.402
  194    HA   ASP  27           HA       ASP  27   9.010   8.074   2.997
  195    HB2  ASP  27           HB3      ASP  27  11.777   8.238   4.235
  196    HB3  ASP  27           HB2      ASP  27  10.964   9.587   3.441
  197    H    LEU  28           H        LEU  28  10.765   5.525   2.062
  198    HA   LEU  28           HA       LEU  28  12.199   6.853  -0.170
  199    HB2  LEU  28           HB3      LEU  28  13.321   5.036   1.118
  200    HB3  LEU  28           HB2      LEU  28  12.068   3.919   0.584
  201    HG   LEU  28           HG       LEU  28  12.928   5.142  -1.772
  202   HD11  LEU  28          HD11      LEU  28  15.367   4.316  -0.189
  203   HD12  LEU  28          HD12      LEU  28  14.861   5.999  -0.340
  204   HD13  LEU  28          HD13      LEU  28  15.313   5.082  -1.777
  205   HD21  LEU  28          HD21      LEU  28  12.349   2.807  -1.621
  206   HD22  LEU  28          HD22      LEU  28  13.643   2.504  -0.461
  207   HD23  LEU  28          HD23      LEU  28  14.034   2.886  -2.138
  208    H    ASP  29           H        ASP  29  11.512   6.673  -2.298
  209    HA   ASP  29           HA       ASP  29   8.778   6.055  -2.813
  210    HB2  ASP  29           HB3      ASP  29  11.150   6.192  -4.703
  211    HB3  ASP  29           HB2      ASP  29   9.470   6.088  -5.229
  212    H    LEU  30           H        LEU  30   7.858   4.069  -2.869
  213    HA   LEU  30           HA       LEU  30   9.408   1.673  -2.639
  214    HB2  LEU  30           HB3      LEU  30   7.294   0.501  -2.768
  215    HB3  LEU  30           HB2      LEU  30   7.046   1.971  -1.826
  216    HG   LEU  30           HG       LEU  30   6.606   2.767  -4.470
  217   HD11  LEU  30          HD11      LEU  30   5.007   0.254  -3.976
  218   HD12  LEU  30          HD12      LEU  30   6.516   0.215  -4.887
  219   HD13  LEU  30          HD13      LEU  30   5.161   1.179  -5.468
  220   HD21  LEU  30          HD21      LEU  30   5.375   3.538  -2.496
  221   HD22  LEU  30          HD22      LEU  30   4.650   1.942  -2.302
  222   HD23  LEU  30          HD23      LEU  30   4.243   2.932  -3.704
  223    H    VAL  31           H        VAL  31   9.333   3.574  -5.243
  224    HA   VAL  31           HA       VAL  31   8.562   2.025  -7.452
  225    HB   VAL  31           HB       VAL  31   9.544   4.410  -7.416
  226   HG11  VAL  31          HG11      VAL  31  11.899   4.659  -7.595
  227   HG12  VAL  31          HG12      VAL  31  12.143   2.931  -7.848
  228   HG13  VAL  31          HG13      VAL  31  11.670   3.531  -6.259
  229   HG21  VAL  31          HG21      VAL  31  10.276   4.217  -9.726
  230   HG22  VAL  31          HG22      VAL  31   8.941   3.092  -9.472
  231   HG23  VAL  31          HG23      VAL  31  10.600   2.496  -9.520
  232    H    ASP  32           H        ASP  32  11.521   1.824  -5.517
  233    HA   ASP  32           HA       ASP  32  12.885  -0.084  -7.154
  234    HB2  ASP  32           HB3      ASP  32  14.186  -0.612  -5.153
  235    HB3  ASP  32           HB2      ASP  32  13.928   1.131  -5.221
  236    H    ASN  33           H        ASN  33  10.359  -0.335  -4.745
  237    HA   ASN  33           HA       ASN  33  10.336  -3.274  -4.840
  238    HB2  ASN  33           HB3      ASN  33   8.442  -1.344  -3.487
  239    HB3  ASN  33           HB2      ASN  33   8.492  -3.087  -3.239
  240   HD21  ASN  33          HD22      ASN  33   9.274  -0.467  -1.590
  241   HD22  ASN  33          HD21      ASN  33  10.733  -0.936  -0.864
  242    H    GLY  34           H        GLY  34   9.640  -1.260  -7.112
  243    HA2  GLY  34           HA3      GLY  34   6.986  -1.214  -7.838
  244    HA3  GLY  34           HA2      GLY  34   8.266  -1.502  -9.018
  245    H    VAL  35           H        VAL  35   8.857  -4.012  -7.236
  246    HA   VAL  35           HA       VAL  35   7.618  -5.938  -8.918
  247    HB   VAL  35           HB       VAL  35   8.636  -6.167  -6.069
  248   HG11  VAL  35          HG11      VAL  35   7.543  -8.150  -6.034
  249   HG12  VAL  35          HG12      VAL  35   8.736  -8.687  -7.216
  250   HG13  VAL  35          HG13      VAL  35   7.176  -8.069  -7.757
  251   HG21  VAL  35          HG21      VAL  35  10.099  -5.653  -8.236
  252   HG22  VAL  35          HG22      VAL  35   9.930  -7.392  -8.475
  253   HG23  VAL  35          HG23      VAL  35  10.670  -6.773  -6.999
  254    H    ILE  36           H        ILE  36   6.562  -4.435  -5.911
  255    HA   ILE  36           HA       ILE  36   4.241  -6.097  -5.498
  256    HB   ILE  36           HB       ILE  36   5.457  -4.444  -3.868
  257   HG12  ILE  36          HG13      ILE  36   2.428  -4.598  -4.055
  258   HG13  ILE  36          HG12      ILE  36   3.478  -5.772  -3.266
  259   HG21  ILE  36          HG21      ILE  36   4.947  -2.556  -5.593
  260   HG22  ILE  36          HG22      ILE  36   4.722  -2.205  -3.879
  261   HG23  ILE  36          HG23      ILE  36   3.327  -2.574  -4.895
  262   HD11  ILE  36          HD11      ILE  36   3.218  -2.859  -2.468
  263   HD12  ILE  36          HD12      ILE  36   4.232  -4.063  -1.671
  264   HD13  ILE  36          HD13      ILE  36   2.476  -4.216  -1.627
  265    H    ASP  37           H        ASP  37   4.904  -3.329  -7.495
  266    HA   ASP  37           HA       ASP  37   2.320  -2.255  -7.813
  267    HB2  ASP  37           HB3      ASP  37   4.564  -2.448  -9.834
  268    HB3  ASP  37           HB2      ASP  37   3.132  -1.441 -10.027
  269    H    SER  38           H        SER  38   3.712  -5.135  -9.344
  270    HA   SER  38           HA       SER  38   1.138  -5.450 -10.833
  271    HB2  SER  38           2HB      SER  38   3.661  -5.441 -11.853
  272    HB3  SER  38           1HB      SER  38   3.412  -7.163 -11.588
  273    H    LEU  39           H        LEU  39   3.654  -7.668  -9.567
  274    HA   LEU  39           HA       LEU  39   1.809  -9.835  -9.300
  275    HB2  LEU  39           HB3      LEU  39   4.497  -9.357  -8.014
  276    HB3  LEU  39           HB2      LEU  39   3.615 -10.875  -7.897
  277    HG   LEU  39           HG       LEU  39   3.553 -10.469 -10.589
  278   HD11  LEU  39          HD11      LEU  39   4.944  -8.465 -10.494
  279   HD12  LEU  39          HD12      LEU  39   5.857  -9.773 -11.245
  280   HD13  LEU  39          HD13      LEU  39   6.171  -9.329  -9.567
  281   HD21  LEU  39          HD21      LEU  39   4.215 -12.565  -9.682
  282   HD22  LEU  39          HD22      LEU  39   5.586 -11.852  -8.833
  283   HD23  LEU  39          HD23      LEU  39   5.619 -12.003 -10.590
  284    H    GLY  40           H        GLY  40   3.241  -7.716  -6.819
  285    HA2  GLY  40           HA3      GLY  40   1.628  -8.819  -4.697
  286    HA3  GLY  40           HA2      GLY  40   2.548  -7.321  -4.615
  287    H    LEU  41           H        LEU  41   1.319  -6.012  -6.833
  288    HA   LEU  41           HA       LEU  41  -0.902  -4.788  -5.562
  289    HB2  LEU  41           HB3      LEU  41   0.429  -3.801  -7.457
  290    HB3  LEU  41           HB2      LEU  41  -0.390  -4.919  -8.547
  291    HG   LEU  41           HG       LEU  41  -2.561  -3.909  -7.408
  292   HD11  LEU  41          HD11      LEU  41  -2.303  -1.587  -6.778
  293   HD12  LEU  41          HD12      LEU  41  -0.591  -1.621  -7.198
  294   HD13  LEU  41          HD13      LEU  41  -1.178  -2.542  -5.815
  295   HD21  LEU  41          HD21      LEU  41  -1.997  -3.778  -9.807
  296   HD22  LEU  41          HD22      LEU  41  -0.909  -2.429  -9.480
  297   HD23  LEU  41          HD23      LEU  41  -2.646  -2.242  -9.233
  298    H    LEU  42           H        LEU  42  -0.759  -7.373  -7.996
  299    HA   LEU  42           HA       LEU  42  -3.565  -7.610  -8.413
  300    HB2  LEU  42           HB3      LEU  42  -1.791  -8.780  -9.761
  301    HB3  LEU  42           HB2      LEU  42  -1.540  -9.868  -8.404
  302    HG   LEU  42           HG       LEU  42  -4.144 -10.219  -8.576
  303   HD11  LEU  42          HD11      LEU  42  -4.540  -8.512 -10.264
  304   HD12  LEU  42          HD12      LEU  42  -4.867 -10.097 -10.964
  305   HD13  LEU  42          HD13      LEU  42  -3.361  -9.260 -11.338
  306   HD21  LEU  42          HD21      LEU  42  -3.647 -11.987 -10.401
  307   HD22  LEU  42          HD22      LEU  42  -2.719 -12.084  -8.904
  308   HD23  LEU  42          HD23      LEU  42  -1.992 -11.380 -10.349
  309    H    LYS  43           H        LYS  43  -1.416  -9.103  -6.004
  310    HA   LYS  43           HA       LYS  43  -3.460 -10.656  -4.722
  311    HB2  LYS  43           HB3      LYS  43  -0.852  -9.551  -3.666
  312    HB3  LYS  43           HB2      LYS  43  -1.846 -10.734  -2.824
  313    HG2  LYS  43           HG3      LYS  43  -1.645 -12.248  -4.801
  314    HG3  LYS  43           HG2      LYS  43  -0.544 -11.083  -5.537
  315    HD2  LYS  43           HD3      LYS  43   0.945 -11.293  -3.542
  316    HD3  LYS  43           HD2      LYS  43  -0.123 -12.551  -2.918
  317    HE2  LYS  43           HE3      LYS  43   0.449 -14.061  -4.610
  318    HE3  LYS  43           HE2      LYS  43   0.995 -12.786  -5.699
  319    HZ1  LYS  43           HZ1      LYS  43   2.400 -14.081  -3.499
  320    HZ2  LYS  43           HZ2      LYS  43   2.681 -12.422  -3.706
  321    HZ3  LYS  43           HZ3      LYS  43   2.997 -13.500  -4.980
  322    H    VAL  44           H        VAL  44  -2.245  -7.361  -4.248
  323    HA   VAL  44           HA       VAL  44  -3.689  -6.815  -1.832
  324    HB   VAL  44           HB       VAL  44  -2.685  -4.976  -4.017
  325   HG11  VAL  44          HG11      VAL  44  -3.991  -3.419  -3.016
  326   HG12  VAL  44          HG12      VAL  44  -2.860  -3.521  -1.667
  327   HG13  VAL  44          HG13      VAL  44  -4.342  -4.477  -1.649
  328   HG21  VAL  44          HG21      VAL  44  -1.275  -6.502  -2.228
  329   HG22  VAL  44          HG22      VAL  44  -1.475  -5.001  -1.323
  330   HG23  VAL  44          HG23      VAL  44  -0.696  -4.980  -2.905
  331    H    ILE  45           H        ILE  45  -4.509  -6.087  -5.242
  332    HA   ILE  45           HA       ILE  45  -7.017  -4.874  -4.673
  333    HB   ILE  45           HB       ILE  45  -6.177  -6.447  -7.127
  334   HG12  ILE  45          HG13      ILE  45  -4.622  -4.622  -6.724
  335   HG13  ILE  45          HG12      ILE  45  -5.688  -4.158  -8.045
  336   HG21  ILE  45          HG21      ILE  45  -8.414  -4.496  -6.583
  337   HG22  ILE  45          HG22      ILE  45  -8.546  -6.163  -7.141
  338   HG23  ILE  45          HG23      ILE  45  -7.888  -4.924  -8.210
  339   HD11  ILE  45          HD11      ILE  45  -5.732  -2.240  -6.724
  340   HD12  ILE  45          HD12      ILE  45  -5.622  -3.151  -5.218
  341   HD13  ILE  45          HD13      ILE  45  -7.141  -3.108  -6.115
  342    H    ALA  46           H        ALA  46  -6.159  -8.273  -5.295
  343    HA   ALA  46           HA       ALA  46  -8.855  -9.254  -5.270
  344    HB1  ALA  46           HB1      ALA  46  -6.145 -10.483  -4.845
  345    HB2  ALA  46           HB2      ALA  46  -7.315 -10.790  -6.130
  346    HB3  ALA  46           HB3      ALA  46  -7.594 -11.432  -4.511
  347    H    TRP  47           H        TRP  47  -6.405  -8.940  -2.702
  348    HA   TRP  47           HA       TRP  47  -8.131 -10.014  -0.639
  349    HB2  TRP  47           HB3      TRP  47  -5.942 -10.165   0.052
  350    HB3  TRP  47           HB2      TRP  47  -5.473  -8.672  -0.760
  351    HD1  TRP  47           HD1      TRP  47  -7.165  -9.942   2.434
  352    HE1  TRP  47           HE1      TRP  47  -7.104  -8.058   4.193
  353    HE3  TRP  47           HE3      TRP  47  -5.308  -6.137  -0.408
  354    HZ2  TRP  47           HZ2      TRP  47  -6.363  -5.296   4.368
  355    HZ3  TRP  47           HZ3      TRP  47  -4.931  -3.896   0.569
  356    HH2  TRP  47           HH2      TRP  47  -5.455  -3.471   2.950
  357    H    LEU  48           H        LEU  48  -7.307  -6.751  -1.755
  358    HA   LEU  48           HA       LEU  48  -8.620  -5.283   0.277
  359    HB2  LEU  48           HB3      LEU  48  -7.128  -4.344  -1.527
  360    HB3  LEU  48           HB2      LEU  48  -8.457  -4.545  -2.656
  361    HG   LEU  48           HG       LEU  48  -9.824  -3.191  -0.898
  362   HD11  LEU  48          HD11      LEU  48  -7.459  -3.346   0.474
  363   HD12  LEU  48          HD12      LEU  48  -8.692  -2.117   0.753
  364   HD13  LEU  48          HD13      LEU  48  -7.319  -1.768  -0.296
  365   HD21  LEU  48          HD21      LEU  48  -7.928  -2.347  -3.008
  366   HD22  LEU  48          HD22      LEU  48  -8.458  -1.063  -1.921
  367   HD23  LEU  48          HD23      LEU  48  -9.647  -1.992  -2.835
  368    H    GLU  49           H        GLU  49  -9.877  -6.676  -2.753
  369    HA   GLU  49           HA       GLU  49 -12.509  -5.589  -2.550
  370    HB2  GLU  49           HB3      GLU  49 -11.856  -6.562  -4.636
  371    HB3  GLU  49           HB2      GLU  49 -11.455  -8.094  -3.878
  372    HG2  GLU  49           HG3      GLU  49 -13.795  -8.494  -3.353
  373    HG3  GLU  49           HG2      GLU  49 -14.239  -6.916  -3.982
  374    H    ASP  50           H        ASP  50 -11.061  -8.522  -1.181
  375    HA   ASP  50           HA       ASP  50 -13.466  -9.688  -0.213
  376    HB2  ASP  50           HB3      ASP  50 -11.184 -10.767  -0.249
  377    HB3  ASP  50           HB2      ASP  50 -10.782  -9.791   1.162
  378    H    ARG  51           H        ARG  51 -11.354  -7.215   1.204
  379    HA   ARG  51           HA       ARG  51 -12.795  -7.138   3.715
  380    HB2  ARG  51           HB3      ARG  51 -10.820  -5.236   2.443
  381    HB3  ARG  51           HB2      ARG  51 -11.472  -5.033   4.066
  382    HG2  ARG  51           HG3      ARG  51 -10.628  -7.324   4.635
  383    HG3  ARG  51           HG2      ARG  51  -9.853  -7.382   3.051
  384    HD2  ARG  51           HD3      ARG  51  -8.196  -6.640   4.645
  385    HD3  ARG  51           HD2      ARG  51  -8.645  -5.251   3.654
  386    HE   ARG  51           HE       ARG  51  -9.530  -4.242   5.590
  387   HH11  ARG  51          HH22      ARG  51  -9.158  -7.649   5.962
  388   HH12  ARG  51          HH21      ARG  51  -9.586  -7.647   7.640
  389   HH21  ARG  51          HH11      ARG  51 -10.091  -4.220   7.780
  390   HH22  ARG  51          HH12      ARG  51 -10.115  -5.706   8.669
  391    H    PHE  52           H        PHE  52 -12.827  -4.986   0.825
  392    HA   PHE  52           HA       PHE  52 -15.137  -3.572   2.063
  393    HB2  PHE  52           HB3      PHE  52 -13.307  -2.821  -0.228
  394    HB3  PHE  52           HB2      PHE  52 -14.667  -1.850   0.324
  395    HD1  PHE  52           HD2      PHE  52 -14.668  -0.863   2.611
  396    HD2  PHE  52           HD1      PHE  52 -11.255  -2.934   1.025
  397    HE1  PHE  52           HE2      PHE  52 -13.245   0.125   4.386
  398    HE2  PHE  52           HE1      PHE  52  -9.832  -1.947   2.800
  399    HZ   PHE  52           HZ       PHE  52 -10.826  -0.417   4.480
  400    H    GLY  53           H        GLY  53 -14.524  -5.980  -0.220
  401    HA2  GLY  53           HA3      GLY  53 -15.983  -7.026  -1.747
  402    HA3  GLY  53           HA2      GLY  53 -17.276  -6.031  -1.075
  403    H    ILE  54           H        ILE  54 -14.327  -4.667  -2.436
  404    HA   ILE  54           HA       ILE  54 -16.010  -3.266  -4.445
  405    HB   ILE  54           HB       ILE  54 -13.102  -2.848  -3.691
  406   HG12  ILE  54          HG13      ILE  54 -15.523  -1.188  -2.938
  407   HG13  ILE  54          HG12      ILE  54 -14.833  -2.419  -1.881
  408   HG21  ILE  54          HG21      ILE  54 -13.556  -2.020  -5.923
  409   HG22  ILE  54          HG22      ILE  54 -13.494  -0.637  -4.831
  410   HG23  ILE  54          HG23      ILE  54 -15.051  -1.256  -5.382
  411   HD11  ILE  54          HD11      ILE  54 -13.241  -0.113  -3.030
  412   HD12  ILE  54          HD12      ILE  54 -12.717  -1.258  -1.795
  413   HD13  ILE  54          HD13      ILE  54 -13.985  -0.087  -1.431
  414    H    ALA  55           H        ALA  55 -15.778  -3.612  -6.643
  415    HA   ALA  55           HA       ALA  55 -14.645  -6.052  -7.566
  416    HB1  ALA  55           HB1      ALA  55 -14.748  -4.088  -9.682
  417    HB2  ALA  55           HB2      ALA  55 -16.183  -3.951  -8.666
  418    HB3  ALA  55           HB3      ALA  55 -15.785  -5.492  -9.426
  419    H    ALA  56           H        ALA  56 -12.670  -6.516  -8.523
  420    HA   ALA  56           HA       ALA  56 -10.407  -4.978  -7.742
  421    HB1  ALA  56           HB1      ALA  56 -10.700  -7.114  -9.872
  422    HB2  ALA  56           HB2      ALA  56 -10.186  -7.351  -8.201
  423    HB3  ALA  56           HB3      ALA  56  -9.152  -6.470  -9.326
  424    H    ASP  57           H        ASP  57 -12.291  -5.032 -10.730
  425    HA   ASP  57           HA       ASP  57 -10.427  -3.112 -11.992
  426    HB2  ASP  57           HB3      ASP  57 -12.928  -4.474 -13.001
  427    HB3  ASP  57           HB2      ASP  57 -11.968  -3.346 -13.955
  428    H    ASP  58           H        ASP  58 -12.796  -2.814  -9.774
  429    HA   ASP  58           HA       ASP  58 -14.587  -0.873 -10.781
  430    HB2  ASP  58           HB3      ASP  58 -14.699  -2.000  -8.521
  431    HB3  ASP  58           HB2      ASP  58 -13.437  -0.891  -7.990
  432    H    VAL  59           H        VAL  59 -11.329  -0.488  -9.438
  433    HA   VAL  59           HA       VAL  59 -11.315   2.289 -10.542
  434    HB   VAL  59           HB       VAL  59  -9.986   1.393  -7.979
  435   HG11  VAL  59          HG11      VAL  59 -10.373   4.240  -8.362
  436   HG12  VAL  59          HG12      VAL  59  -9.449   3.551  -9.697
  437   HG13  VAL  59          HG13      VAL  59  -8.882   3.356  -8.038
  438   HG21  VAL  59          HG21      VAL  59 -12.059   1.636  -7.096
  439   HG22  VAL  59          HG22      VAL  59 -12.683   2.368  -8.574
  440   HG23  VAL  59          HG23      VAL  59 -11.846   3.363  -7.383
  441    H    GLU  60           H        GLU  60  -9.527   2.752 -11.792
  442    HA   GLU  60           HA       GLU  60  -7.478   0.595 -12.009
  443    HB2  GLU  60           HB3      GLU  60  -8.685   1.224 -14.089
  444    HB3  GLU  60           HB2      GLU  60  -8.073   2.866 -13.923
  445    HG2  GLU  60           HG3      GLU  60  -5.767   2.006 -14.003
  446    HG3  GLU  60           HG2      GLU  60  -6.391   0.375 -14.207
  447    H    LEU  61           H        LEU  61  -5.406   1.002 -11.405
  448    HA   LEU  61           HA       LEU  61  -4.717   3.807 -10.651
  449    HB2  LEU  61           HB3      LEU  61  -3.486   1.250  -9.592
  450    HB3  LEU  61           HB2      LEU  61  -3.238   2.882  -8.977
  451    HG   LEU  61           HG       LEU  61  -5.811   1.300  -8.931
  452   HD11  LEU  61          HD11      LEU  61  -5.456   1.962  -6.404
  453   HD12  LEU  61          HD12      LEU  61  -3.771   2.123  -6.894
  454   HD13  LEU  61          HD13      LEU  61  -4.600   0.578  -7.082
  455   HD21  LEU  61          HD21      LEU  61  -6.505   3.420  -7.547
  456   HD22  LEU  61          HD22      LEU  61  -6.574   3.477  -9.308
  457   HD23  LEU  61          HD23      LEU  61  -5.213   4.206  -8.455
  458    H    SER  62           H        SER  62  -2.744   4.650 -11.396
  459    HA   SER  62           HA       SER  62  -1.497   3.122 -13.607
  460    HB2  SER  62           HB3      SER  62  -1.465   5.152 -14.581
  461    HB3  SER  62           HB2      SER  62  -2.046   5.902 -13.097
  462    HG   SER  62           HG       SER  62  -0.092   6.766 -13.264
  463    HA   PRO  63           HA       PRO  63   2.232   2.140 -11.494
  464    HB2  PRO  63           HB2      PRO  63   4.161   3.030 -13.283
  465    HB3  PRO  63           HB3      PRO  63   3.285   1.495 -13.420
  466    HG2  PRO  63           HG3      PRO  63   2.825   4.072 -14.823
  467    HG3  PRO  63           HG2      PRO  63   2.659   2.412 -15.420
  468    HD2  PRO  63           HD3      PRO  63   0.506   3.921 -14.738
  469    HD3  PRO  63           HD2      PRO  63   0.530   2.157 -14.524
  470    H    GLU  64           H        GLU  64   2.033   5.423 -12.768
  471    HA   GLU  64           HA       GLU  64   4.200   6.531 -11.253
  472    HB2  GLU  64           HB3      GLU  64   1.702   7.826 -12.351
  473    HB3  GLU  64           HB2      GLU  64   3.075   8.710 -11.703
  474    HG2  GLU  64           HG3      GLU  64   4.532   7.628 -13.388
  475    HG3  GLU  64           HG2      GLU  64   3.118   6.828 -14.065
  476    H    HIS  65           H        HIS  65   0.865   5.807 -10.507
  477    HA   HIS  65           HA       HIS  65   0.646   7.428  -8.139
  478    HB2  HIS  65           HB3      HIS  65  -1.365   6.646  -9.180
  479    HB3  HIS  65           HB2      HIS  65  -0.839   4.966  -9.076
  480    HD1  HIS  65           HD1      HIS  65  -2.065   3.790  -7.267
  481    HD2  HIS  65           HD2      HIS  65  -1.260   7.750  -6.232
  482    HE1  HIS  65           HE1      HIS  65  -2.970   4.117  -4.923
  483    HE2  HIS  65           HE2      HIS  65  -2.485   6.523  -4.284
  484    H    PHE  66           H        PHE  66   2.048   4.272  -8.724
  485    HA   PHE  66           HA       PHE  66   2.133   3.671  -5.834
  486    HB2  PHE  66           HB3      PHE  66   3.161   2.145  -8.241
  487    HB3  PHE  66           HB2      PHE  66   3.211   1.555  -6.581
  488    HD1  PHE  66           HD2      PHE  66   1.076   1.185  -5.318
  489    HD2  PHE  66           HD1      PHE  66   1.132   2.125  -9.506
  490    HE1  PHE  66           HE2      PHE  66  -1.269   0.404  -5.525
  491    HE2  PHE  66           HE1      PHE  66  -1.209   1.345  -9.716
  492    HZ   PHE  66           HZ       PHE  66  -2.411   0.485  -7.725
  493    H    ARG  67           H        ARG  67   3.870   5.732  -7.612
  494    HA   ARG  67           HA       ARG  67   6.587   4.973  -7.260
  495    HB2  ARG  67           HB3      ARG  67   5.362   7.748  -7.220
  496    HB3  ARG  67           HB2      ARG  67   7.076   7.396  -7.430
  497    HG2  ARG  67           HG3      ARG  67   5.103   6.067  -9.235
  498    HG3  ARG  67           HG2      ARG  67   5.532   7.750  -9.541
  499    HD2  ARG  67           HD3      ARG  67   7.547   5.508  -9.225
  500    HD3  ARG  67           HD2      ARG  67   6.978   6.116 -10.778
  501    HE   ARG  67           HE       ARG  67   7.973   8.274  -9.142
  502   HH11  ARG  67          HH22      ARG  67   8.866   5.576 -11.094
  503   HH12  ARG  67          HH21      ARG  67  10.397   6.243 -11.551
  504   HH21  ARG  67          HH11      ARG  67   9.968   9.161  -9.727
  505   HH22  ARG  67          HH12      ARG  67  11.022   8.273 -10.777
  506    H    SER  68           H        SER  68   4.341   6.611  -5.055
  507    HA   SER  68           HA       SER  68   6.362   6.203  -2.882
  508    HB2  SER  68           HB3      SER  68   4.437   8.526  -3.170
  509    HB3  SER  68           HB2      SER  68   5.557   8.278  -1.834
  510    HG   SER  68           HG       SER  68   6.835   8.082  -4.195
  511    H    ILE  69           H        ILE  69   5.539   5.471  -0.901
  512    HA   ILE  69           HA       ILE  69   3.118   3.956  -0.957
  513    HB   ILE  69           HB       ILE  69   4.734   4.930   1.416
  514   HG12  ILE  69          HG13      ILE  69   4.847   2.293  -0.054
  515   HG13  ILE  69          HG12      ILE  69   5.994   3.602  -0.296
  516   HG21  ILE  69          HG21      ILE  69   3.512   2.395   1.787
  517   HG22  ILE  69          HG22      ILE  69   2.271   3.513   1.226
  518   HG23  ILE  69          HG23      ILE  69   3.206   3.886   2.674
  519   HD11  ILE  69          HD11      ILE  69   6.841   1.922   1.325
  520   HD12  ILE  69          HD12      ILE  69   5.449   2.249   2.358
  521   HD13  ILE  69          HD13      ILE  69   6.644   3.512   2.063
  522    H    ARG  70           H        ARG  70   3.900   7.188   0.270
  523    HA   ARG  70           HA       ARG  70   1.482   7.662   1.694
  524    HB2  ARG  70           HB3      ARG  70   3.287   9.604   0.223
  525    HB3  ARG  70           HB2      ARG  70   2.016  10.077   1.351
  526    HG2  ARG  70           HG3      ARG  70   3.130   8.704   3.117
  527    HG3  ARG  70           HG2      ARG  70   4.443   8.375   1.987
  528    HD2  ARG  70           HD3      ARG  70   3.585  11.108   2.983
  529    HD3  ARG  70           HD2      ARG  70   5.058  10.249   3.436
  530    HE   ARG  70           HE       ARG  70   5.071  10.464   0.619
  531   HH11  ARG  70          HH22      ARG  70   5.085  12.458   3.432
  532   HH12  ARG  70          HH21      ARG  70   5.982  13.737   2.684
  533   HH21  ARG  70          HH11      ARG  70   6.243  12.122  -0.374
  534   HH22  ARG  70          HH12      ARG  70   6.638  13.546   0.529
  535    H    SER  71           H        SER  71   2.268   8.047  -1.748
  536    HA   SER  71           HA       SER  71  -0.049   9.470  -2.538
  537    HB2  SER  71           HB3      SER  71   1.379   7.312  -4.115
  538    HB3  SER  71           HB2      SER  71   0.387   8.610  -4.767
  539    HG   SER  71           HG       SER  71   2.204   9.664  -4.822
  540    H    ILE  72           H        ILE  72   0.475   5.996  -2.046
  541    HA   ILE  72           HA       ILE  72  -2.035   5.099  -3.038
  542    HB   ILE  72           HB       ILE  72  -0.311   3.934  -0.832
  543   HG12  ILE  72          HG13      ILE  72  -0.375   3.306  -3.801
  544   HG13  ILE  72          HG12      ILE  72   0.843   4.325  -3.033
  545   HG21  ILE  72          HG21      ILE  72  -1.414   1.796  -1.667
  546   HG22  ILE  72          HG22      ILE  72  -2.552   2.829  -2.530
  547   HG23  ILE  72          HG23      ILE  72  -2.460   2.896  -0.770
  548   HD11  ILE  72          HD11      ILE  72   1.141   2.270  -1.421
  549   HD12  ILE  72          HD12      ILE  72   1.900   2.245  -3.013
  550   HD13  ILE  72          HD13      ILE  72   0.393   1.370  -2.740
  551    H    ASP  73           H        ASP  73  -1.013   6.250   0.157
  552    HA   ASP  73           HA       ASP  73  -3.375   5.614   1.591
  553    HB2  ASP  73           HB3      ASP  73  -1.428   7.914   1.916
  554    HB3  ASP  73           HB2      ASP  73  -2.674   7.501   3.091
  555    H    ALA  74           H        ALA  74  -2.582   8.401  -0.463
  556    HA   ALA  74           HA       ALA  74  -4.894   9.954   0.185
  557    HB1  ALA  74           HB1      ALA  74  -3.565  11.323  -1.040
  558    HB2  ALA  74           HB2      ALA  74  -4.351  10.595  -2.441
  559    HB3  ALA  74           HB3      ALA  74  -2.801   9.972  -1.877
  560    H    PHE  75           H        PHE  75  -4.315   7.578  -2.415
  561    HA   PHE  75           HA       PHE  75  -6.939   7.829  -3.558
  562    HB2  PHE  75           HB3      PHE  75  -4.778   5.738  -3.683
  563    HB3  PHE  75           HB2      PHE  75  -6.355   5.434  -4.409
  564    HD1  PHE  75           HD1      PHE  75  -3.581   7.944  -4.332
  565    HD2  PHE  75           HD2      PHE  75  -6.870   6.285  -6.539
  566    HE1  PHE  75           HE1      PHE  75  -2.940   9.301  -6.305
  567    HE2  PHE  75           HE2      PHE  75  -6.229   7.642  -8.513
  568    HZ   PHE  75           HZ       PHE  75  -4.264   9.150  -8.396
  569    H    VAL  76           H        VAL  76  -5.575   5.600  -1.131
  570    HA   VAL  76           HA       VAL  76  -7.966   4.067  -0.777
  571    HB   VAL  76           HB       VAL  76  -5.613   4.619   1.051
  572   HG11  VAL  76          HG11      VAL  76  -7.984   2.768   1.362
  573   HG12  VAL  76          HG12      VAL  76  -7.457   4.036   2.468
  574   HG13  VAL  76          HG13      VAL  76  -6.486   2.577   2.272
  575   HG21  VAL  76          HG21      VAL  76  -4.635   2.789   0.091
  576   HG22  VAL  76          HG22      VAL  76  -5.713   3.164  -1.254
  577   HG23  VAL  76          HG23      VAL  76  -6.170   1.935  -0.075
  578    H    VAL  77           H        VAL  77  -6.712   6.995   0.807
  579    HA   VAL  77           HA       VAL  77  -8.689   7.217   2.828
  580    HB   VAL  77           HB       VAL  77  -7.080   9.302   1.341
  581   HG11  VAL  77          HG11      VAL  77  -9.270   9.552   3.289
  582   HG12  VAL  77          HG12      VAL  77  -8.594  10.756   2.194
  583   HG13  VAL  77          HG13      VAL  77  -7.804  10.424   3.735
  584   HG21  VAL  77          HG21      VAL  77  -6.304   7.397   3.175
  585   HG22  VAL  77          HG22      VAL  77  -6.643   8.785   4.208
  586   HG23  VAL  77          HG23      VAL  77  -5.468   8.926   2.901
  587    H    GLY  78           H        GLY  78  -8.623   8.419  -0.517
  588    HA2  GLY  78           HA3      GLY  78 -11.080   9.864  -0.411
  589    HA3  GLY  78           HA2      GLY  78 -10.341   9.238  -1.882
  590    H    ALA  79           H        ALA  79 -10.426   6.429  -1.026
  591    HA   ALA  79           HA       ALA  79 -13.267   5.958  -1.665
  592    HB1  ALA  79           HB1      ALA  79 -11.761   3.533  -1.283
  593    HB2  ALA  79           HB2      ALA  79 -10.836   4.652  -2.284
  594    HB3  ALA  79           HB3      ALA  79 -12.463   4.173  -2.769
  595    H    THR  80           H        THR  80 -10.931   4.870   0.793
  596    HA   THR  80           HA       THR  80 -13.241   4.472   2.650
  597    HB   THR  80           HB       THR  80 -12.264   2.472   3.511
  598    HG1  THR  80           HG1      THR  80 -10.114   3.192   3.516
  599   HG21  THR  80          HG21      THR  80 -12.532   1.066   1.702
  600   HG22  THR  80          HG22      THR  80 -11.544   2.070   0.641
  601   HG23  THR  80          HG23      THR  80 -13.200   2.546   1.015
  602    H    THR  81           H        THR  81 -12.703   4.939   4.899
  603    HA   THR  81           HA       THR  81 -10.069   6.254   5.299
  604    HB   THR  81           HB       THR  81 -11.447   8.111   4.767
  605    HG1  THR  81           HG1      THR  81 -11.977   8.523   7.342
  606   HG21  THR  81          HG21      THR  81 -13.656   7.523   4.757
  607   HG22  THR  81          HG22      THR  81 -13.625   8.257   6.360
  608   HG23  THR  81          HG23      THR  81 -13.501   6.506   6.189
  609    HA   PRO  82           HA       PRO  82 -11.074   3.407   8.806
  610    HB2  PRO  82           HB2      PRO  82  -8.130   3.343   9.003
  611    HB3  PRO  82           HB3      PRO  82  -9.274   1.998   8.857
  612    HG2  PRO  82           HG3      PRO  82  -7.647   2.735   6.853
  613    HG3  PRO  82           HG2      PRO  82  -9.262   2.061   6.577
  614    HD2  PRO  82           HD3      PRO  82  -8.351   4.907   6.381
  615    HD3  PRO  82           HD2      PRO  82  -9.555   4.035   5.404
  616    HA   PRO  83           HA       PRO  83 -10.230   5.957  12.335
  617    HB2  PRO  83           HB2      PRO  83  -8.220   4.155  13.548
  618    HB3  PRO  83           HB3      PRO  83  -9.803   4.653  14.168
  619    HG2  PRO  83           HG3      PRO  83  -9.339   2.177  13.255
  620    HG3  PRO  83           HG2      PRO  83 -10.910   2.977  13.078
  621    HD2  PRO  83           HD3      PRO  83  -8.780   2.532  11.022
  622    HD3  PRO  83           HD2      PRO  83 -10.548   2.523  10.836
  623    H    VAL  84           H        VAL  84  -8.753   7.568  13.129
  624    HA   VAL  84           HA       VAL  84  -6.328   7.847  11.459
  625    HB   VAL  84           HB       VAL  84  -7.512   9.775  13.478
  626   HG11  VAL  84          HG11      VAL  84  -6.152  11.436  12.285
  627   HG12  VAL  84          HG12      VAL  84  -5.553  10.184  11.197
  628   HG13  VAL  84          HG13      VAL  84  -5.125  10.144  12.907
  629   HG21  VAL  84          HG21      VAL  84  -9.066  10.324  11.940
  630   HG22  VAL  84          HG22      VAL  84  -8.549   8.935  10.984
  631   HG23  VAL  84          HG23      VAL  84  -7.826  10.518  10.702
  632    H    GLU  85           H        GLU  85  -4.329   7.423  12.217
  633    HA   GLU  85           HA       GLU  85  -3.823   7.521  15.137
  634    HB2  GLU  85           HB3      GLU  85  -3.119   5.172  13.347
  635    HB3  GLU  85           HB2      GLU  85  -2.617   5.355  15.029
  636    HG2  GLU  85           HG3      GLU  85  -5.496   5.255  14.079
  637    HG3  GLU  85           HG2      GLU  85  -4.627   3.907  14.812
  638    H    ALA  86           H        ALA  86  -1.504   7.762  15.612
  639    HA   ALA  86           HA       ALA  86  -0.160   9.455  13.717
  640    HB1  ALA  86           HB1      ALA  86   0.113   9.108  16.364
  641    HB2  ALA  86           HB2      ALA  86   1.416   9.761  15.371
  642    HB3  ALA  86           HB3      ALA  86   1.422   8.057  15.824
  643    H    LYS  87           H        LYS  87   1.294   8.932  12.118
  644    HA   LYS  87           HA       LYS  87   1.506   6.255  11.168
  645    HB2  LYS  87           HB3      LYS  87   1.911   8.331   9.801
  646    HB3  LYS  87           HB2      LYS  87   3.457   8.514  10.631
  647    HG2  LYS  87           HG3      LYS  87   4.136   6.265   9.842
  648    HG3  LYS  87           HG2      LYS  87   2.605   6.118   8.979
  649    HD2  LYS  87           HD3      LYS  87   3.199   8.213   7.714
  650    HD3  LYS  87           HD2      LYS  87   4.791   8.154   8.472
  651    HE2  LYS  87           HE3      LYS  87   3.674   6.481   6.306
  652    HE3  LYS  87           HE2      LYS  87   5.352   6.896   6.657
  653    HZ1  LYS  87           HZ1      LYS  87   5.135   5.341   8.614
  654    HZ2  LYS  87           HZ2      LYS  87   5.162   4.615   7.082
  655    HZ3  LYS  87           HZ3      LYS  87   3.689   4.793   7.910
  656    H    LEU  88           H        LEU  88   3.586   8.162  13.302
  657    HA   LEU  88           HA       LEU  88   5.551   7.548  14.456
  658    HB2  LEU  88           HB3      LEU  88   3.727   6.362  15.695
  659    HB3  LEU  88           HB2      LEU  88   4.012   4.945  14.686
  660    HG   LEU  88           HG       LEU  88   6.415   4.976  15.455
  661   HD11  LEU  88          HD11      LEU  88   6.557   6.250  17.771
  662   HD12  LEU  88          HD12      LEU  88   5.308   7.264  17.050
  663   HD13  LEU  88          HD13      LEU  88   6.878   7.106  16.263
  664   HD21  LEU  88          HD21      LEU  88   5.461   4.537  18.015
  665   HD22  LEU  88          HD22      LEU  88   5.456   3.349  16.712
  666   HD23  LEU  88          HD23      LEU  88   4.019   4.323  17.022
  667    H    GLN  89           H        GLN  89   6.762   7.560  12.355
  668    HA   GLN  89           HA       GLN  89   7.179   5.240  10.772
  669    HB2  GLN  89           HB3      GLN  89   7.935   7.545  10.164
  670    HB3  GLN  89           HB2      GLN  89   9.200   7.417  11.388
  671    HG2  GLN  89           HG3      GLN  89  10.137   5.457  10.236
  672    HG3  GLN  89           HG2      GLN  89   8.861   5.550   9.021
  673   HE21  GLN  89          HE22      GLN  89  11.410   5.747   8.016
  674   HE22  GLN  89          HE21      GLN  89  11.775   7.348   7.591
  675    H1   PN7 101           3HO      SAT  38  -0.057  -2.542 -15.725
  676    H2   PN7 101           1H1      SAT  38   3.313  -2.930 -14.486
  677    H3   PN7 101           2H1      SAT  38   3.766  -2.347 -12.886
  678    H5   PN7 101          3HE1      SAT  38   1.889   0.349 -14.827
  679    H6   PN7 101          1HE1      SAT  38   2.271  -1.092 -15.769
  680    H7   PN7 101          2HE1      SAT  38   3.496  -0.369 -14.727
  681    H8   PN7 101          2HE2      SAT  38   1.375   0.272 -12.550
  682    H9   PN7 101          3HE2      SAT  38   2.957  -0.367 -12.103
  683    H10  PN7 101          1HE2      SAT  38   1.491  -1.208 -11.597
  684    H11  PN7 101           3H       SAT  38   0.202  -2.528 -13.113
  685    H12  PN7 101           5H       SAT  38  -1.057   0.207 -12.704
  686    H13  PN7 101           2H6      SAT  38  -2.755  -1.575 -14.373
  687    H14  PN7 101           1H6      SAT  38  -3.353  -0.338 -13.268
  688    H15  PN7 101           1H7      SAT  38  -3.781  -2.253 -12.025
  689    H16  PN7 101           2H7      SAT  38  -2.163  -1.854 -11.449
  690    H17  PN7 101           9H       SAT  38  -2.986  -4.528 -11.294
  691    H18  PN7 101          2H10      SAT  38  -1.070  -5.988 -11.142
  692    H19  PN7 101          1H10      SAT  38  -0.474  -5.319 -12.662
  693    H20  PN7 101          1H11      SAT  38  -1.808  -7.738 -12.372
  694    H21  PN7 101          2H11      SAT  38  -1.583  -6.865 -13.888
  695    H22  PN7 101          2HS1      SAT  38  -4.154  -7.210 -13.580
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1  -1.788  12.489   3.287
    2    H2   MET   1           H2       MET   1  -0.326  13.338   3.461
    3    H3   MET   1           H3       MET   1  -1.360  13.139   4.794
    4    HA   MET   1           HA       MET   1  -0.429  10.712   3.476
    5    HB2  MET   1           HB3      MET   1   1.318  12.556   5.118
    6    HB3  MET   1           HB2      MET   1   1.657  10.834   4.935
    7    HG2  MET   1           HG3      MET   1   1.707  11.100   2.486
    8    HG3  MET   1           HG2      MET   1   1.374  12.823   2.667
    9    HE1  MET   1           HE1      MET   1   3.344  12.144   0.973
   10    HE2  MET   1           HE2      MET   1   5.019  12.455   1.424
   11    HE3  MET   1           HE3      MET   1   3.827  13.760   1.483
   12    H    GLN   2           H        GLN   2  -2.431  10.072   4.589
   13    HA   GLN   2           HA       GLN   2  -2.361  10.177   7.547
   14    HB2  GLN   2           HB3      GLN   2  -4.402   9.010   5.625
   15    HB3  GLN   2           HB2      GLN   2  -4.592   9.087   7.377
   16    HG2  GLN   2           HG3      GLN   2  -4.423  11.542   7.299
   17    HG3  GLN   2           HG2      GLN   2  -4.214  11.477   5.549
   18   HE21  GLN   2          HE22      GLN   2  -6.421  12.879   6.706
   19   HE22  GLN   2          HE21      GLN   2  -7.850  12.051   6.314
   20    H    HIS   3           H        HIS   3  -1.599   8.475   8.746
   21    HA   HIS   3           HA       HIS   3  -0.499   6.419   9.120
   22    HB2  HIS   3           HB3      HIS   3  -3.135   5.886   7.858
   23    HB3  HIS   3           HB2      HIS   3  -2.006   4.532   7.871
   24    HD1  HIS   3           HD1      HIS   3  -2.703   7.228  10.490
   25    HD2  HIS   3           HD2      HIS   3  -2.638   3.073  10.128
   26    HE1  HIS   3           HE1      HIS   3  -3.177   6.298  12.800
   27    HE2  HIS   3           HE2      HIS   3  -3.142   3.771  12.590
   28    H    ALA   4           H        ALA   4   0.391   7.950   6.795
   29    HA   ALA   4           HA       ALA   4   0.721   6.363   4.464
   30    HB1  ALA   4           HB1      ALA   4   2.112   8.706   5.664
   31    HB2  ALA   4           HB2      ALA   4   1.420   8.512   4.053
   32    HB3  ALA   4           HB3      ALA   4   2.991   7.806   4.429
   33    H    SER   5           H        SER   5   2.605   6.494   7.470
   34    HA   SER   5           HA       SER   5   4.767   4.843   6.587
   35    HB2  SER   5           HB3      SER   5   5.265   4.535   8.942
   36    HB3  SER   5           HB2      SER   5   4.744   6.201   8.701
   37    HG   SER   5           HG       SER   5   3.450   5.629  10.297
   38    H    VAL   6           H        VAL   6   1.547   4.091   7.805
   39    HA   VAL   6           HA       VAL   6   2.003   1.287   8.246
   40    HB   VAL   6           HB       VAL   6  -0.524   2.816   7.603
   41   HG11  VAL   6          HG11      VAL   6  -0.889   0.517   6.974
   42   HG12  VAL   6          HG12      VAL   6  -1.646   0.753   8.549
   43   HG13  VAL   6          HG13      VAL   6  -0.087  -0.063   8.434
   44   HG21  VAL   6          HG21      VAL   6   1.087   2.472   9.974
   45   HG22  VAL   6          HG22      VAL   6  -0.502   1.748  10.222
   46   HG23  VAL   6          HG23      VAL   6  -0.369   3.445   9.762
   47    H    ILE   7           H        ILE   7   0.973   3.153   5.414
   48    HA   ILE   7           HA       ILE   7   0.295   0.959   3.743
   49    HB   ILE   7           HB       ILE   7   1.545   3.611   2.963
   50   HG12  ILE   7          HG13      ILE   7  -1.375   2.792   3.058
   51   HG13  ILE   7          HG12      ILE   7  -0.577   3.729   4.322
   52   HG21  ILE   7          HG21      ILE   7   1.690   2.158   1.081
   53   HG22  ILE   7          HG22      ILE   7   0.224   3.102   0.819
   54   HG23  ILE   7          HG23      ILE   7   0.112   1.445   1.413
   55   HD11  ILE   7          HD11      ILE   7  -1.024   4.518   1.437
   56   HD12  ILE   7          HD12      ILE   7   0.097   5.376   2.495
   57   HD13  ILE   7          HD13      ILE   7  -1.623   5.328   2.885
   58    H    ALA   8           H        ALA   8   3.404   2.694   4.063
   59    HA   ALA   8           HA       ALA   8   4.862   0.955   2.306
   60    HB1  ALA   8           HB1      ALA   8   6.768   2.118   2.986
   61    HB2  ALA   8           HB2      ALA   8   6.174   2.323   4.634
   62    HB3  ALA   8           HB3      ALA   8   5.499   3.295   3.327
   63    H    GLN   9           H        GLN   9   4.512   1.009   5.841
   64    HA   GLN   9           HA       GLN   9   6.148  -1.283   6.351
   65    HB2  GLN   9           HB3      GLN   9   5.417   0.358   8.086
   66    HB3  GLN   9           HB2      GLN   9   3.776  -0.271   7.948
   67    HG2  GLN   9           HG3      GLN   9   5.297  -2.561   8.302
   68    HG3  GLN   9           HG2      GLN   9   6.081  -1.390   9.361
   69   HE21  GLN   9          HE22      GLN   9   2.691  -2.285   8.475
   70   HE22  GLN   9          HE21      GLN   9   2.109  -2.228  10.070
   71    H    PHE  10           H        PHE  10   2.655  -0.926   5.857
   72    HA   PHE  10           HA       PHE  10   1.936  -3.644   6.264
   73    HB2  PHE  10           HB3      PHE  10   0.338  -1.720   6.089
   74    HB3  PHE  10           HB2      PHE  10   0.653  -1.668   4.356
   75    HD1  PHE  10           HD1      PHE  10  -0.733  -3.721   7.111
   76    HD2  PHE  10           HD2      PHE  10  -0.306  -3.279   2.862
   77    HE1  PHE  10           HE1      PHE  10  -2.432  -5.494   6.757
   78    HE2  PHE  10           HE2      PHE  10  -2.003  -5.054   2.506
   79    HZ   PHE  10           HZ       PHE  10  -3.067  -6.159   4.455
   80    H    VAL  11           H        VAL  11   2.772  -1.902   3.280
   81    HA   VAL  11           HA       VAL  11   2.588  -4.239   1.588
   82    HB   VAL  11           HB       VAL  11   4.106  -1.643   1.179
   83   HG11  VAL  11          HG11      VAL  11   4.714  -2.428  -0.841
   84   HG12  VAL  11          HG12      VAL  11   3.064  -2.933  -1.198
   85   HG13  VAL  11          HG13      VAL  11   4.148  -4.016  -0.330
   86   HG21  VAL  11          HG21      VAL  11   1.509  -1.704   1.613
   87   HG22  VAL  11          HG22      VAL  11   1.444  -2.310  -0.043
   88   HG23  VAL  11          HG23      VAL  11   2.153  -0.730   0.291
   89    H    VAL  12           H        VAL  12   5.309  -2.512   3.094
   90    HA   VAL  12           HA       VAL  12   7.365  -4.231   2.100
   91    HB   VAL  12           HB       VAL  12   7.299  -2.556   4.612
   92   HG11  VAL  12          HG11      VAL  12   9.105  -4.263   4.577
   93   HG12  VAL  12          HG12      VAL  12   9.744  -2.625   4.470
   94   HG13  VAL  12          HG13      VAL  12   9.647  -3.632   3.024
   95   HG21  VAL  12          HG21      VAL  12   7.012  -1.665   2.059
   96   HG22  VAL  12          HG22      VAL  12   8.770  -1.687   2.192
   97   HG23  VAL  12          HG23      VAL  12   7.812  -0.736   3.327
   98    H    GLU  13           H        GLU  13   5.309  -4.406   4.964
   99    HA   GLU  13           HA       GLU  13   6.693  -6.369   6.431
  100    HB2  GLU  13           HB3      GLU  13   4.666  -5.185   7.240
  101    HB3  GLU  13           HB2      GLU  13   3.698  -6.142   6.126
  102    HG2  GLU  13           HG3      GLU  13   4.516  -8.212   7.236
  103    HG3  GLU  13           HG2      GLU  13   5.387  -7.208   8.391
  104    H    GLU  14           H        GLU  14   4.621  -6.743   3.601
  105    HA   GLU  14           HA       GLU  14   4.392  -9.599   3.753
  106    HB2  GLU  14           HB3      GLU  14   4.253  -7.714   1.389
  107    HB3  GLU  14           HB2      GLU  14   3.841  -9.427   1.310
  108    HG2  GLU  14           HG3      GLU  14   2.135  -9.071   3.084
  109    HG3  GLU  14           HG2      GLU  14   2.516  -7.349   3.077
  110    H    PHE  15           H        PHE  15   6.887  -7.463   2.476
  111    HA   PHE  15           HA       PHE  15   8.580  -9.878   2.042
  112    HB2  PHE  15           HB3      PHE  15   9.037  -7.700   0.105
  113    HB3  PHE  15           HB2      PHE  15   8.987  -9.444  -0.153
  114    HD1  PHE  15           HD1      PHE  15   6.852 -10.600  -0.555
  115    HD2  PHE  15           HD2      PHE  15   7.038  -6.340  -0.044
  116    HE1  PHE  15           HE1      PHE  15   4.556 -10.389  -1.470
  117    HE2  PHE  15           HE2      PHE  15   4.744  -6.129  -0.954
  118    HZ   PHE  15           HZ       PHE  15   3.503  -8.153  -1.670
  119    H    LEU  16           H        LEU  16   8.683  -8.184   4.304
  120    HA   LEU  16           HA       LEU  16  10.747  -6.187   3.861
  121    HB2  LEU  16           HB3      LEU  16  10.348  -5.485   5.992
  122    HB3  LEU  16           HB2      LEU  16   8.858  -6.365   5.740
  123    HG   LEU  16           HG       LEU  16  11.333  -7.456   7.124
  124   HD11  LEU  16          HD11      LEU  16  10.366  -5.943   8.628
  125   HD12  LEU  16          HD12      LEU  16   9.612  -7.477   9.064
  126   HD13  LEU  16          HD13      LEU  16   8.728  -6.306   8.086
  127   HD21  LEU  16          HD21      LEU  16  10.336  -9.506   7.158
  128   HD22  LEU  16          HD22      LEU  16   9.373  -8.904   5.813
  129   HD23  LEU  16          HD23      LEU  16   8.740  -8.817   7.452
  130    HA   PRO  17           HA       PRO  17  14.041  -9.195   4.345
  131    HB2  PRO  17           HB2      PRO  17  16.151  -7.488   4.196
  132    HB3  PRO  17           HB3      PRO  17  15.181  -7.905   2.773
  133    HG2  PRO  17           HG3      PRO  17  15.080  -5.467   4.479
  134    HG3  PRO  17           HG2      PRO  17  14.967  -5.617   2.719
  135    HD2  PRO  17           HD3      PRO  17  12.786  -5.296   4.360
  136    HD3  PRO  17           HD2      PRO  17  12.724  -6.092   2.773
  137    H    ASP  18           H        ASP  18  16.481  -8.290   5.718
  138    HA   ASP  18           HA       ASP  18  15.579  -8.640   8.465
  139    HB2  ASP  18           HB3      ASP  18  17.729  -9.587   7.569
  140    HB3  ASP  18           HB2      ASP  18  18.347  -7.940   7.469
  141    H    VAL  19           H        VAL  19  15.183  -6.093   6.629
  142    HA   VAL  19           HA       VAL  19  16.100  -4.104   8.672
  143    HB   VAL  19           HB       VAL  19  15.369  -3.614   5.772
  144   HG11  VAL  19          HG11      VAL  19  16.345  -1.920   8.049
  145   HG12  VAL  19          HG12      VAL  19  15.120  -1.559   6.833
  146   HG13  VAL  19          HG13      VAL  19  16.830  -1.509   6.404
  147   HG21  VAL  19          HG21      VAL  19  18.097  -3.124   6.165
  148   HG22  VAL  19          HG22      VAL  19  17.398  -4.491   5.299
  149   HG23  VAL  19          HG23      VAL  19  17.800  -4.643   7.010
  150    H    ALA  20           H        ALA  20  14.543  -2.838   9.652
  151    HA   ALA  20           HA       ALA  20  11.769  -3.592   9.357
  152    HB1  ALA  20           HB1      ALA  20  11.449  -1.504  10.859
  153    HB2  ALA  20           HB2      ALA  20  13.212  -1.445  10.902
  154    HB3  ALA  20           HB3      ALA  20  12.362  -2.861  11.522
  155    HA   PRO  21           HA       PRO  21  10.641  -1.021   5.858
  156    HB2  PRO  21           HB2      PRO  21   8.236  -0.332   7.485
  157    HB3  PRO  21           HB3      PRO  21   8.339  -0.923   5.817
  158    HG2  PRO  21           HG3      PRO  21   7.600  -2.505   7.845
  159    HG3  PRO  21           HG2      PRO  21   8.520  -3.107   6.457
  160    HD2  PRO  21           HD3      PRO  21   9.426  -2.665   9.246
  161    HD3  PRO  21           HD2      PRO  21  10.063  -3.759   7.997
  162    H    ALA  22           H        ALA  22  10.415   0.234   9.152
  163    HA   ALA  22           HA       ALA  22  10.194   3.015   8.454
  164    HB1  ALA  22           HB1      ALA  22   9.748   2.842  10.686
  165    HB2  ALA  22           HB2      ALA  22  11.490   3.053  10.858
  166    HB3  ALA  22           HB3      ALA  22  10.790   1.434  10.884
  167    H    ASP  23           H        ASP  23  12.822   0.767   8.463
  168    HA   ASP  23           HA       ASP  23  14.821   2.957   8.255
  169    HB2  ASP  23           HB3      ASP  23  15.130  -0.046   8.548
  170    HB3  ASP  23           HB2      ASP  23  16.481   1.073   8.364
  171    H    VAL  24           H        VAL  24  12.759   1.555   6.231
  172    HA   VAL  24           HA       VAL  24  14.709   1.074   4.039
  173    HB   VAL  24           HB       VAL  24  11.701   0.663   4.098
  174   HG11  VAL  24          HG11      VAL  24  13.871   0.086   2.083
  175   HG12  VAL  24          HG12      VAL  24  12.328   0.901   1.832
  176   HG13  VAL  24          HG13      VAL  24  12.371  -0.842   2.097
  177   HG21  VAL  24          HG21      VAL  24  12.981  -0.809   5.667
  178   HG22  VAL  24          HG22      VAL  24  13.952  -1.363   4.303
  179   HG23  VAL  24          HG23      VAL  24  12.224  -1.709   4.354
  180    H    ASP  25           H        ASP  25  14.851   2.486   2.309
  181    HA   ASP  25           HA       ASP  25  13.878   5.160   2.654
  182    HB2  ASP  25           HB3      ASP  25  15.001   3.750   0.216
  183    HB3  ASP  25           HB2      ASP  25  14.689   5.485   0.300
  184    H    VAL  26           H        VAL  26  11.596   5.068   2.863
  185    HA   VAL  26           HA       VAL  26   9.832   3.725   1.064
  186    HB   VAL  26           HB       VAL  26   8.100   5.224   1.934
  187   HG11  VAL  26          HG11      VAL  26   9.925   3.685   3.535
  188   HG12  VAL  26          HG12      VAL  26   8.198   3.944   3.783
  189   HG13  VAL  26          HG13      VAL  26   9.367   5.070   4.474
  190   HG21  VAL  26          HG21      VAL  26   8.855   7.387   2.066
  191   HG22  VAL  26          HG22      VAL  26  10.490   6.897   2.508
  192   HG23  VAL  26          HG23      VAL  26   9.216   6.919   3.728
  193    H    ASP  27           H        ASP  27  12.050   5.949   0.216
  194    HA   ASP  27           HA       ASP  27  10.377   7.558  -1.595
  195    HB2  ASP  27           HB3      ASP  27  13.382   7.389  -1.202
  196    HB3  ASP  27           HB2      ASP  27  12.589   8.498  -2.322
  197    H    LEU  28           H        LEU  28  11.317   4.456  -1.629
  198    HA   LEU  28           HA       LEU  28  12.214   4.326  -4.440
  199    HB2  LEU  28           HB3      LEU  28  13.194   2.821  -2.696
  200    HB3  LEU  28           HB2      LEU  28  11.610   2.078  -2.501
  201    HG   LEU  28           HG       LEU  28  11.654   1.569  -4.986
  202   HD11  LEU  28          HD11      LEU  28  14.156   1.445  -5.793
  203   HD12  LEU  28          HD12      LEU  28  14.404   2.724  -4.607
  204   HD13  LEU  28          HD13      LEU  28  13.269   2.962  -5.936
  205   HD21  LEU  28          HD21      LEU  28  13.718  -0.135  -4.522
  206   HD22  LEU  28          HD22      LEU  28  12.099  -0.375  -3.866
  207   HD23  LEU  28          HD23      LEU  28  13.352   0.368  -2.871
  208    H    ASP  29           H        ASP  29  10.868   3.814  -6.118
  209    HA   ASP  29           HA       ASP  29   8.040   3.927  -5.749
  210    HB2  ASP  29           HB3      ASP  29   9.687   2.876  -8.070
  211    HB3  ASP  29           HB2      ASP  29   7.941   3.120  -8.127
  212    H    LEU  30           H        LEU  30   6.745   2.368  -4.945
  213    HA   LEU  30           HA       LEU  30   7.646  -0.190  -4.162
  214    HB2  LEU  30           HB3      LEU  30   4.765   0.335  -4.916
  215    HB3  LEU  30           HB2      LEU  30   5.396  -0.715  -3.652
  216    HG   LEU  30           HG       LEU  30   6.423   1.538  -2.718
  217   HD11  LEU  30          HD11      LEU  30   5.616   3.473  -3.557
  218   HD12  LEU  30          HD12      LEU  30   3.960   2.874  -3.525
  219   HD13  LEU  30          HD13      LEU  30   4.991   2.535  -4.910
  220   HD21  LEU  30          HD21      LEU  30   4.995   0.570  -1.210
  221   HD22  LEU  30          HD22      LEU  30   3.753   0.266  -2.425
  222   HD23  LEU  30          HD23      LEU  30   3.924   1.873  -1.724
  223    H    VAL  31           H        VAL  31   7.143   0.952  -7.280
  224    HA   VAL  31           HA       VAL  31   5.925  -1.143  -8.672
  225    HB   VAL  31           HB       VAL  31   8.284   0.590  -9.440
  226   HG11  VAL  31          HG11      VAL  31   7.270  -0.257 -11.809
  227   HG12  VAL  31          HG12      VAL  31   7.015  -1.704 -10.834
  228   HG13  VAL  31          HG13      VAL  31   8.637  -1.036 -11.013
  229   HG21  VAL  31          HG21      VAL  31   6.722   2.041 -10.270
  230   HG22  VAL  31          HG22      VAL  31   5.666   1.249  -9.101
  231   HG23  VAL  31          HG23      VAL  31   5.647   0.744 -10.791
  232    H    ASP  32           H        ASP  32   9.265  -0.933  -7.493
  233    HA   ASP  32           HA       ASP  32  10.268  -3.315  -8.660
  234    HB2  ASP  32           HB3      ASP  32  10.868  -2.070  -5.957
  235    HB3  ASP  32           HB2      ASP  32  11.802  -3.388  -6.664
  236    H    ASN  33           H        ASN  33   8.290  -2.759  -5.805
  237    HA   ASN  33           HA       ASN  33   8.211  -5.618  -5.123
  238    HB2  ASN  33           HB3      ASN  33   6.645  -3.295  -3.984
  239    HB3  ASN  33           HB2      ASN  33   6.740  -4.916  -3.298
  240   HD21  ASN  33          HD22      ASN  33   7.843  -2.016  -2.573
  241   HD22  ASN  33          HD21      ASN  33   9.423  -2.361  -2.057
  242    H    GLY  34           H        GLY  34   7.090  -4.205  -7.655
  243    HA2  GLY  34           HA3      GLY  34   4.348  -4.178  -7.853
  244    HA3  GLY  34           HA2      GLY  34   5.365  -4.829  -9.138
  245    H    VAL  35           H        VAL  35   6.248  -6.859  -6.896
  246    HA   VAL  35           HA       VAL  35   4.747  -9.068  -7.799
  247    HB   VAL  35           HB       VAL  35   6.091  -8.587  -5.123
  248   HG11  VAL  35          HG11      VAL  35   4.468 -10.852  -6.137
  249   HG12  VAL  35          HG12      VAL  35   4.818 -10.371  -4.477
  250   HG13  VAL  35          HG13      VAL  35   6.009 -11.289  -5.399
  251   HG21  VAL  35          HG21      VAL  35   6.878  -9.916  -7.721
  252   HG22  VAL  35          HG22      VAL  35   7.716 -10.270  -6.210
  253   HG23  VAL  35          HG23      VAL  35   7.717  -8.629  -6.855
  254    H    ILE  36           H        ILE  36   4.101  -6.799  -5.165
  255    HA   ILE  36           HA       ILE  36   1.769  -8.169  -4.151
  256    HB   ILE  36           HB       ILE  36   3.246  -6.261  -3.094
  257   HG12  ILE  36          HG13      ILE  36   0.225  -6.379  -2.853
  258   HG13  ILE  36          HG12      ILE  36   1.387  -7.337  -1.940
  259   HG21  ILE  36          HG21      ILE  36   2.540  -4.758  -5.095
  260   HG22  ILE  36          HG22      ILE  36   2.521  -4.050  -3.480
  261   HG23  ILE  36          HG23      ILE  36   1.014  -4.582  -4.227
  262   HD11  ILE  36          HD11      ILE  36   0.660  -5.477  -0.555
  263   HD12  ILE  36          HD12      ILE  36   1.059  -4.329  -1.833
  264   HD13  ILE  36          HD13      ILE  36   2.342  -5.221  -1.017
  265    H    ASP  37           H        ASP  37   2.336  -5.968  -6.781
  266    HA   ASP  37           HA       ASP  37  -0.258  -4.870  -7.077
  267    HB2  ASP  37           HB3      ASP  37   1.795  -5.527  -9.203
  268    HB3  ASP  37           HB2      ASP  37   0.361  -4.542  -9.468
  269    H    SER  38           H        SER  38   0.952  -8.060  -7.978
  270    HA   SER  38           HA       SER  38  -1.701  -8.603  -9.243
  271    HB2  SER  38           2HB      SER  38   0.765 -10.295  -9.584
  272    HB3  SER  38           1HB      SER  38  -0.666 -10.225 -10.610
  273    H    LEU  39           H        LEU  39   0.785 -10.574  -7.571
  274    HA   LEU  39           HA       LEU  39  -1.159 -12.480  -6.682
  275    HB2  LEU  39           HB3      LEU  39   1.287 -12.944  -6.947
  276    HB3  LEU  39           HB2      LEU  39   1.574 -11.966  -5.513
  277    HG   LEU  39           HG       LEU  39  -0.488 -14.056  -5.193
  278   HD11  LEU  39          HD11      LEU  39   2.434 -14.720  -5.642
  279   HD12  LEU  39          HD12      LEU  39   1.054 -15.332  -6.554
  280   HD13  LEU  39          HD13      LEU  39   1.286 -15.817  -4.874
  281   HD21  LEU  39          HD21      LEU  39   1.946 -13.172  -3.610
  282   HD22  LEU  39          HD22      LEU  39   0.767 -14.360  -3.056
  283   HD23  LEU  39          HD23      LEU  39   0.278 -12.686  -3.313
  284    H    GLY  40           H        GLY  40   0.598  -9.949  -4.900
  285    HA2  GLY  40           HA3      GLY  40  -0.870 -10.383  -2.458
  286    HA3  GLY  40           HA2      GLY  40   0.132  -8.985  -2.814
  287    H    LEU  41           H        LEU  41  -1.298  -8.197  -5.206
  288    HA   LEU  41           HA       LEU  41  -3.239  -6.478  -4.075
  289    HB2  LEU  41           HB3      LEU  41  -2.141  -6.190  -6.316
  290    HB3  LEU  41           HB2      LEU  41  -3.184  -7.467  -6.939
  291    HG   LEU  41           HG       LEU  41  -5.114  -5.997  -5.921
  292   HD11  LEU  41          HD11      LEU  41  -4.524  -3.555  -6.132
  293   HD12  LEU  41          HD12      LEU  41  -2.831  -4.033  -6.242
  294   HD13  LEU  41          HD13      LEU  41  -3.748  -4.368  -4.773
  295   HD21  LEU  41          HD21      LEU  41  -3.577  -5.278  -8.436
  296   HD22  LEU  41          HD22      LEU  41  -5.210  -4.717  -8.078
  297   HD23  LEU  41          HD23      LEU  41  -4.899  -6.438  -8.304
  298    H    LEU  42           H        LEU  42  -3.630  -9.638  -5.657
  299    HA   LEU  42           HA       LEU  42  -6.498  -9.647  -5.537
  300    HB2  LEU  42           HB3      LEU  42  -4.499 -11.920  -5.569
  301    HB3  LEU  42           HB2      LEU  42  -6.233 -12.143  -5.727
  302    HG   LEU  42           HG       LEU  42  -4.531 -10.440  -7.564
  303   HD11  LEU  42          HD11      LEU  42  -5.004 -13.287  -7.467
  304   HD12  LEU  42          HD12      LEU  42  -4.015 -12.372  -8.605
  305   HD13  LEU  42          HD13      LEU  42  -5.733 -12.610  -8.924
  306   HD21  LEU  42          HD21      LEU  42  -6.592  -9.529  -7.917
  307   HD22  LEU  42          HD22      LEU  42  -7.428 -10.906  -7.204
  308   HD23  LEU  42          HD23      LEU  42  -6.856 -10.989  -8.869
  309    H    LYS  43           H        LYS  43  -3.990 -10.864  -3.321
  310    HA   LYS  43           HA       LYS  43  -5.854 -11.878  -1.379
  311    HB2  LYS  43           HB3      LYS  43  -2.973 -11.007  -1.112
  312    HB3  LYS  43           HB2      LYS  43  -3.874 -11.854   0.139
  313    HG2  LYS  43           HG3      LYS  43  -4.295 -13.710  -1.478
  314    HG3  LYS  43           HG2      LYS  43  -3.268 -12.879  -2.647
  315    HD2  LYS  43           HD3      LYS  43  -1.396 -12.954  -0.995
  316    HD3  LYS  43           HD2      LYS  43  -2.427 -13.899   0.082
  317    HE2  LYS  43           HE3      LYS  43  -2.697 -15.575  -1.788
  318    HE3  LYS  43           HE2      LYS  43  -1.469 -14.681  -2.684
  319    HZ1  LYS  43           HZ1      LYS  43  -1.157 -16.039  -0.066
  320    HZ2  LYS  43           HZ2      LYS  43   0.004 -14.988  -0.717
  321    HZ3  LYS  43           HZ3      LYS  43  -0.387 -16.427  -1.530
  322    H    VAL  44           H        VAL  44  -4.224  -8.766  -1.814
  323    HA   VAL  44           HA       VAL  44  -5.011  -7.604   0.678
  324    HB   VAL  44           HB       VAL  44  -4.351  -6.352  -1.998
  325   HG11  VAL  44          HG11      VAL  44  -5.374  -5.189   0.496
  326   HG12  VAL  44          HG12      VAL  44  -5.254  -4.473  -1.110
  327   HG13  VAL  44          HG13      VAL  44  -3.855  -4.468  -0.036
  328   HG21  VAL  44          HG21      VAL  44  -2.710  -7.721  -0.347
  329   HG22  VAL  44          HG22      VAL  44  -2.618  -6.132   0.413
  330   HG23  VAL  44          HG23      VAL  44  -2.168  -6.326  -1.281
  331    H    ILE  45           H        ILE  45  -6.544  -7.504  -2.542
  332    HA   ILE  45           HA       ILE  45  -8.704  -5.801  -1.803
  333    HB   ILE  45           HB       ILE  45  -8.112  -7.695  -4.013
  334   HG12  ILE  45          HG13      ILE  45  -8.610  -5.767  -5.362
  335   HG13  ILE  45          HG12      ILE  45  -9.414  -4.960  -4.018
  336   HG21  ILE  45          HG21      ILE  45 -10.498  -7.324  -4.863
  337   HG22  ILE  45          HG22      ILE  45 -10.911  -6.889  -3.206
  338   HG23  ILE  45          HG23      ILE  45 -10.306  -8.506  -3.570
  339   HD11  ILE  45          HD11      ILE  45  -6.869  -4.428  -4.687
  340   HD12  ILE  45          HD12      ILE  45  -6.582  -5.782  -3.598
  341   HD13  ILE  45          HD13      ILE  45  -7.434  -4.352  -3.019
  342    H    ALA  46           H        ALA  46  -8.389  -9.347  -1.738
  343    HA   ALA  46           HA       ALA  46 -11.071  -9.871  -0.878
  344    HB1  ALA  46           HB1      ALA  46  -9.968 -11.772  -1.656
  345    HB2  ALA  46           HB2      ALA  46  -9.868 -12.006   0.089
  346    HB3  ALA  46           HB3      ALA  46  -8.477 -11.381  -0.799
  347    H    TRP  47           H        TRP  47  -8.063  -9.288   0.934
  348    HA   TRP  47           HA       TRP  47  -9.377  -9.680   3.511
  349    HB2  TRP  47           HB3      TRP  47  -7.142 -10.130   3.773
  350    HB3  TRP  47           HB2      TRP  47  -6.654  -8.954   2.553
  351    HD1  TRP  47           HD1      TRP  47  -7.602  -9.239   6.243
  352    HE1  TRP  47           HE1      TRP  47  -6.851  -7.089   7.453
  353    HE3  TRP  47           HE3      TRP  47  -6.147  -6.435   2.241
  354    HZ2  TRP  47           HZ2      TRP  47  -5.769  -4.518   6.804
  355    HZ3  TRP  47           HZ3      TRP  47  -5.259  -4.146   2.557
  356    HH2  TRP  47           HH2      TRP  47  -5.070  -3.185   4.830
  357    H    LEU  48           H        LEU  48  -8.170  -6.857   1.694
  358    HA   LEU  48           HA       LEU  48  -8.879  -4.889   3.597
  359    HB2  LEU  48           HB3      LEU  48  -7.449  -4.559   1.553
  360    HB3  LEU  48           HB2      LEU  48  -8.918  -4.569   0.589
  361    HG   LEU  48           HG       LEU  48  -9.672  -2.738   2.352
  362   HD11  LEU  48          HD11      LEU  48  -7.499  -3.085   3.607
  363   HD12  LEU  48          HD12      LEU  48  -7.841  -1.413   3.163
  364   HD13  LEU  48          HD13      LEU  48  -6.678  -2.356   2.230
  365   HD21  LEU  48          HD21      LEU  48  -8.287  -1.089   0.751
  366   HD22  LEU  48          HD22      LEU  48  -9.689  -1.986   0.168
  367   HD23  LEU  48          HD23      LEU  48  -8.063  -2.585  -0.157
  368    H    GLU  49           H        GLU  49 -10.813  -6.225   0.893
  369    HA   GLU  49           HA       GLU  49 -13.056  -4.492   1.331
  370    HB2  GLU  49           HB3      GLU  49 -14.303  -6.142  -0.014
  371    HB3  GLU  49           HB2      GLU  49 -12.745  -5.793  -0.752
  372    HG2  GLU  49           HG3      GLU  49 -12.610  -8.077  -0.810
  373    HG3  GLU  49           HG2      GLU  49 -12.031  -7.835   0.836
  374    H    ASP  50           H        ASP  50 -12.161  -7.675   2.589
  375    HA   ASP  50           HA       ASP  50 -14.597  -8.109   4.063
  376    HB2  ASP  50           HB3      ASP  50 -12.887  -9.866   3.428
  377    HB3  ASP  50           HB2      ASP  50 -11.859  -9.206   4.698
  378    H    ARG  51           H        ARG  51 -11.429  -6.762   4.918
  379    HA   ARG  51           HA       ARG  51 -11.902  -6.426   7.698
  380    HB2  ARG  51           HB3      ARG  51  -9.684  -6.195   6.557
  381    HB3  ARG  51           HB2      ARG  51 -10.222  -4.641   5.919
  382    HG2  ARG  51           HG3      ARG  51 -10.587  -3.831   8.232
  383    HG3  ARG  51           HG2      ARG  51 -10.004  -5.375   8.854
  384    HD2  ARG  51           HD3      ARG  51  -7.843  -4.981   7.645
  385    HD3  ARG  51           HD2      ARG  51  -8.429  -3.376   7.207
  386    HE   ARG  51           HE       ARG  51  -7.362  -4.123   9.779
  387   HH11  ARG  51          HH22      ARG  51  -9.778  -2.259   8.175
  388   HH12  ARG  51          HH21      ARG  51  -9.879  -1.067   9.428
  389   HH21  ARG  51          HH11      ARG  51  -7.478  -2.577  11.423
  390   HH22  ARG  51          HH12      ARG  51  -8.576  -1.247  11.266
  391    H    PHE  52           H        PHE  52 -12.577  -4.200   4.976
  392    HA   PHE  52           HA       PHE  52 -13.948  -2.404   6.915
  393    HB2  PHE  52           HB3      PHE  52 -13.001  -1.958   4.073
  394    HB3  PHE  52           HB2      PHE  52 -13.873  -0.767   5.029
  395    HD1  PHE  52           HD2      PHE  52 -12.866   0.102   7.166
  396    HD2  PHE  52           HD1      PHE  52 -10.675  -2.374   4.422
  397    HE1  PHE  52           HE2      PHE  52 -10.739   0.796   8.236
  398    HE2  PHE  52           HE1      PHE  52  -8.549  -1.680   5.493
  399    HZ   PHE  52           HZ       PHE  52  -8.581  -0.095   7.400
  400    H    GLY  53           H        GLY  53 -14.628  -4.865   4.732
  401    HA2  GLY  53           HA3      GLY  53 -16.681  -5.642   3.892
  402    HA3  GLY  53           HA2      GLY  53 -17.469  -4.452   4.930
  403    H    ILE  54           H        ILE  54 -15.068  -3.706   2.439
  404    HA   ILE  54           HA       ILE  54 -17.129  -2.000   1.122
  405    HB   ILE  54           HB       ILE  54 -14.120  -2.043   0.735
  406   HG12  ILE  54          HG13      ILE  54 -15.765  -0.036   2.295
  407   HG13  ILE  54          HG12      ILE  54 -14.974  -1.414   3.061
  408   HG21  ILE  54          HG21      ILE  54 -16.284  -0.773  -0.670
  409   HG22  ILE  54          HG22      ILE  54 -14.553  -0.661  -0.987
  410   HG23  ILE  54          HG23      ILE  54 -15.319   0.462   0.137
  411   HD11  ILE  54          HD11      ILE  54 -13.533   0.577   3.180
  412   HD12  ILE  54          HD12      ILE  54 -13.592   0.733   1.424
  413   HD13  ILE  54          HD13      ILE  54 -12.797  -0.659   2.159
  414    H    ALA  55           H        ALA  55 -17.956  -2.628  -0.820
  415    HA   ALA  55           HA       ALA  55 -17.199  -5.121  -2.037
  416    HB1  ALA  55           HB1      ALA  55 -19.050  -2.878  -2.702
  417    HB2  ALA  55           HB2      ALA  55 -19.377  -4.607  -2.587
  418    HB3  ALA  55           HB3      ALA  55 -18.578  -3.953  -4.017
  419    H    ALA  56           H        ALA  56 -15.877  -5.522  -3.814
  420    HA   ALA  56           HA       ALA  56 -13.755  -3.680  -4.368
  421    HB1  ALA  56           HB1      ALA  56 -13.467  -5.285  -6.428
  422    HB2  ALA  56           HB2      ALA  56 -14.712  -6.239  -5.623
  423    HB3  ALA  56           HB3      ALA  56 -13.188  -5.907  -4.802
  424    H    ASP  57           H        ASP  57 -16.876  -4.249  -5.857
  425    HA   ASP  57           HA       ASP  57 -17.992  -3.139  -7.588
  426    HB2  ASP  57           HB3      ASP  57 -16.074  -0.959  -6.745
  427    HB3  ASP  57           HB2      ASP  57 -17.443  -0.715  -7.826
  428    H    ASP  58           H        ASP  58 -15.864  -4.840  -8.401
  429    HA   ASP  58           HA       ASP  58 -14.376  -5.211 -10.192
  430    HB2  ASP  58           HB3      ASP  58 -16.638  -5.037 -11.266
  431    HB3  ASP  58           HB2      ASP  58 -16.297  -3.337 -11.578
  432    H    VAL  59           H        VAL  59 -13.108  -3.438  -8.630
  433    HA   VAL  59           HA       VAL  59 -12.374  -1.126 -10.365
  434    HB   VAL  59           HB       VAL  59 -11.701  -1.643  -7.463
  435   HG11  VAL  59          HG11      VAL  59 -11.335   0.766  -9.264
  436   HG12  VAL  59          HG12      VAL  59 -10.058  -0.205  -8.532
  437   HG13  VAL  59          HG13      VAL  59 -11.101   0.791  -7.517
  438   HG21  VAL  59          HG21      VAL  59 -13.535   0.538  -8.334
  439   HG22  VAL  59          HG22      VAL  59 -13.559  -0.424  -6.856
  440   HG23  VAL  59          HG23      VAL  59 -14.174  -1.105  -8.361
  441    H    GLU  60           H        GLU  60 -10.402  -1.093 -11.347
  442    HA   GLU  60           HA       GLU  60  -8.410  -3.174 -10.524
  443    HB2  GLU  60           HB3      GLU  60  -9.438  -3.541 -12.781
  444    HB3  GLU  60           HB2      GLU  60  -8.792  -1.984 -13.285
  445    HG2  GLU  60           HG3      GLU  60  -6.511  -2.787 -12.714
  446    HG3  GLU  60           HG2      GLU  60  -7.194  -4.365 -12.340
  447    H    LEU  61           H        LEU  61  -6.317  -2.460 -10.168
  448    HA   LEU  61           HA       LEU  61  -5.896   0.481 -10.353
  449    HB2  LEU  61           HB3      LEU  61  -4.309  -1.574  -8.783
  450    HB3  LEU  61           HB2      LEU  61  -4.137   0.177  -8.689
  451    HG   LEU  61           HG       LEU  61  -5.476  -0.525  -6.806
  452   HD11  LEU  61          HD11      LEU  61  -7.296   0.924  -7.076
  453   HD12  LEU  61          HD12      LEU  61  -7.540   0.460  -8.760
  454   HD13  LEU  61          HD13      LEU  61  -6.178   1.489  -8.317
  455   HD21  LEU  61          HD21      LEU  61  -7.702  -1.605  -8.441
  456   HD22  LEU  61          HD22      LEU  61  -7.095  -2.138  -6.875
  457   HD23  LEU  61          HD23      LEU  61  -6.266  -2.625  -8.352
  458    H    SER  62           H        SER  62  -4.233   1.297 -11.607
  459    HA   SER  62           HA       SER  62  -2.926  -0.604 -13.443
  460    HB2  SER  62           HB3      SER  62  -3.656   2.209 -13.493
  461    HB3  SER  62           HB2      SER  62  -1.981   1.977 -13.985
  462    HG   SER  62           HG       SER  62  -2.754   0.377 -15.456
  463    HA   PRO  63           HA       PRO  63   1.028  -0.714 -11.529
  464    HB2  PRO  63           HB2      PRO  63   2.716  -0.096 -13.650
  465    HB3  PRO  63           HB3      PRO  63   2.025  -1.697 -13.336
  466    HG2  PRO  63           HG3      PRO  63   1.178   0.388 -15.269
  467    HG3  PRO  63           HG2      PRO  63   1.147  -1.376 -15.419
  468    HD2  PRO  63           HD3      PRO  63  -1.096   0.084 -14.920
  469    HD3  PRO  63           HD2      PRO  63  -0.881  -1.571 -14.310
  470    H    GLU  64           H        GLU  64   0.345   2.144 -13.470
  471    HA   GLU  64           HA       GLU  64   2.480   3.784 -12.486
  472    HB2  GLU  64           HB3      GLU  64  -0.249   4.537 -13.543
  473    HB3  GLU  64           HB2      GLU  64   1.058   5.678 -13.265
  474    HG2  GLU  64           HG3      GLU  64   2.477   4.390 -14.835
  475    HG3  GLU  64           HG2      GLU  64   1.117   3.321 -15.154
  476    H    HIS  65           H        HIS  65  -0.641   2.886 -11.193
  477    HA   HIS  65           HA       HIS  65  -0.844   4.983  -9.232
  478    HB2  HIS  65           HB3      HIS  65  -2.753   3.541  -9.919
  479    HB3  HIS  65           HB2      HIS  65  -1.976   2.172  -9.123
  480    HD1  HIS  65           HD1      HIS  65  -3.026   5.729  -8.189
  481    HD2  HIS  65           HD2      HIS  65  -2.760   1.928  -6.490
  482    HE1  HIS  65           HE1      HIS  65  -3.952   5.927  -5.837
  483    HE2  HIS  65           HE2      HIS  65  -3.788   3.621  -4.793
  484    H    PHE  66           H        PHE  66   0.933   1.978  -9.354
  485    HA   PHE  66           HA       PHE  66   1.557   2.131  -6.462
  486    HB2  PHE  66           HB3      PHE  66   2.388   0.128  -8.584
  487    HB3  PHE  66           HB2      PHE  66   2.744  -0.009  -6.862
  488    HD1  PHE  66           HD1      PHE  66   0.910  -0.322  -5.215
  489    HD2  PHE  66           HD2      PHE  66   0.179  -0.304  -9.448
  490    HE1  PHE  66           HE1      PHE  66  -1.326  -1.326  -4.834
  491    HE2  PHE  66           HE2      PHE  66  -2.056  -1.309  -9.067
  492    HZ   PHE  66           HZ       PHE  66  -2.808  -1.817  -6.761
  493    H    ARG  67           H        ARG  67   2.572   3.842  -8.947
  494    HA   ARG  67           HA       ARG  67   5.365   3.511  -9.167
  495    HB2  ARG  67           HB3      ARG  67   4.008   5.037 -10.587
  496    HB3  ARG  67           HB2      ARG  67   3.809   6.116  -9.213
  497    HG2  ARG  67           HG3      ARG  67   5.606   7.061 -10.410
  498    HG3  ARG  67           HG2      ARG  67   6.398   6.151  -9.132
  499    HD2  ARG  67           HD3      ARG  67   6.816   4.288 -10.665
  500    HD3  ARG  67           HD2      ARG  67   5.933   5.120 -11.944
  501    HE   ARG  67           HE       ARG  67   8.093   6.756 -10.943
  502   HH11  ARG  67          HH22      ARG  67   7.280   4.037 -12.901
  503   HH12  ARG  67          HH21      ARG  67   8.654   4.207 -13.942
  504   HH21  ARG  67          HH11      ARG  67   9.892   6.994 -12.291
  505   HH22  ARG  67          HH12      ARG  67  10.133   5.881 -13.596
  506    H    SER  68           H        SER  68   3.470   5.175  -6.671
  507    HA   SER  68           HA       SER  68   5.917   5.222  -4.991
  508    HB2  SER  68           HB3      SER  68   5.667   7.556  -4.416
  509    HB3  SER  68           HB2      SER  68   5.729   7.436  -6.172
  510    HG   SER  68           HG       SER  68   3.668   8.183  -4.499
  511    H    ILE  69           H        ILE  69   5.405   5.598  -2.684
  512    HA   ILE  69           HA       ILE  69   3.114   4.118  -1.815
  513    HB   ILE  69           HB       ILE  69   3.762   5.166   0.455
  514   HG12  ILE  69          HG13      ILE  69   6.232   5.992  -1.040
  515   HG13  ILE  69          HG12      ILE  69   4.896   7.112  -0.820
  516   HG21  ILE  69          HG21      ILE  69   6.074   3.936   0.307
  517   HG22  ILE  69          HG22      ILE  69   5.501   3.467  -1.290
  518   HG23  ILE  69          HG23      ILE  69   4.583   3.011   0.144
  519   HD11  ILE  69          HD11      ILE  69   5.876   5.623   1.573
  520   HD12  ILE  69          HD12      ILE  69   5.197   7.247   1.467
  521   HD13  ILE  69          HD13      ILE  69   6.862   6.953   0.966
  522    H    ARG  70           H        ARG  70   3.723   7.596  -2.139
  523    HA   ARG  70           HA       ARG  70   1.436   8.524  -0.726
  524    HB2  ARG  70           HB3      ARG  70   2.865   9.731  -3.112
  525    HB3  ARG  70           HB2      ARG  70   1.688  10.583  -2.114
  526    HG2  ARG  70           HG3      ARG  70   3.123  10.145  -0.117
  527    HG3  ARG  70           HG2      ARG  70   4.327   9.419  -1.182
  528    HD2  ARG  70           HD3      ARG  70   3.322  12.278  -1.311
  529    HD3  ARG  70           HD2      ARG  70   4.912  11.758  -0.753
  530    HE   ARG  70           HE       ARG  70   4.406  10.817  -3.436
  531   HH11  ARG  70          HH22      ARG  70   5.222  13.559  -1.513
  532   HH12  ARG  70          HH21      ARG  70   6.093  14.356  -2.780
  533   HH21  ARG  70          HH11      ARG  70   5.538  11.841  -5.103
  534   HH22  ARG  70          HH12      ARG  70   6.272  13.383  -4.813
  535    H    SER  71           H        SER  71   1.805   7.460  -4.096
  536    HA   SER  71           HA       SER  71  -0.746   8.302  -5.033
  537    HB2  SER  71           HB3      SER  71   1.094   7.430  -6.483
  538    HB3  SER  71           HB2      SER  71   0.782   5.815  -5.854
  539    HG   SER  71           HG       SER  71  -0.482   7.147  -7.803
  540    H    ILE  72           H        ILE  72   0.244   5.266  -3.445
  541    HA   ILE  72           HA       ILE  72  -2.277   3.961  -3.619
  542    HB   ILE  72           HB       ILE  72  -0.126   3.713  -1.495
  543   HG12  ILE  72          HG13      ILE  72  -0.589   2.099  -4.023
  544   HG13  ILE  72          HG12      ILE  72   0.643   3.349  -3.853
  545   HG21  ILE  72          HG21      ILE  72  -2.221   2.717  -0.771
  546   HG22  ILE  72          HG22      ILE  72  -1.103   1.431  -1.225
  547   HG23  ILE  72          HG23      ILE  72  -2.403   1.898  -2.321
  548   HD11  ILE  72          HD11      ILE  72   0.960   1.689  -1.606
  549   HD12  ILE  72          HD12      ILE  72   2.018   1.774  -3.015
  550   HD13  ILE  72          HD13      ILE  72   0.711   0.592  -2.963
  551    H    ASP  73           H        ASP  73  -0.915   6.175  -1.199
  552    HA   ASP  73           HA       ASP  73  -2.948   5.958   0.757
  553    HB2  ASP  73           HB3      ASP  73  -0.783   7.244   0.976
  554    HB3  ASP  73           HB2      ASP  73  -1.512   8.514  -0.009
  555    H    ALA  74           H        ALA  74  -2.832   7.854  -2.238
  556    HA   ALA  74           HA       ALA  74  -5.190   9.393  -1.761
  557    HB1  ALA  74           HB1      ALA  74  -4.249  10.269  -3.632
  558    HB2  ALA  74           HB2      ALA  74  -5.162   9.029  -4.492
  559    HB3  ALA  74           HB3      ALA  74  -3.476   8.743  -4.061
  560    H    PHE  75           H        PHE  75  -4.731   6.232  -3.348
  561    HA   PHE  75           HA       PHE  75  -7.494   5.864  -4.025
  562    HB2  PHE  75           HB3      PHE  75  -5.637   4.496  -4.964
  563    HB3  PHE  75           HB2      PHE  75  -5.445   3.734  -3.388
  564    HD1  PHE  75           HD2      PHE  75  -7.722   4.169  -6.275
  565    HD2  PHE  75           HD1      PHE  75  -7.013   2.088  -2.584
  566    HE1  PHE  75           HE2      PHE  75  -9.539   2.573  -6.826
  567    HE2  PHE  75           HE1      PHE  75  -8.830   0.492  -3.135
  568    HZ   PHE  75           HZ       PHE  75 -10.093   0.735  -5.256
  569    H    VAL  76           H        VAL  76  -5.585   4.800  -1.208
  570    HA   VAL  76           HA       VAL  76  -7.728   3.493   0.137
  571    HB   VAL  76           HB       VAL  76  -5.201   4.814   1.155
  572   HG11  VAL  76          HG11      VAL  76  -6.730   4.803   2.996
  573   HG12  VAL  76          HG12      VAL  76  -5.676   3.406   3.214
  574   HG13  VAL  76          HG13      VAL  76  -7.310   3.190   2.586
  575   HG21  VAL  76          HG21      VAL  76  -4.202   2.780   0.845
  576   HG22  VAL  76          HG22      VAL  76  -5.494   2.550  -0.332
  577   HG23  VAL  76          HG23      VAL  76  -5.655   1.888   1.294
  578    H    VAL  77           H        VAL  77  -6.542   6.855   0.282
  579    HA   VAL  77           HA       VAL  77  -8.270   7.754   2.347
  580    HB   VAL  77           HB       VAL  77  -7.049   9.184  -0.024
  581   HG11  VAL  77          HG11      VAL  77  -7.535  11.234   1.445
  582   HG12  VAL  77          HG12      VAL  77  -8.677  10.199   2.302
  583   HG13  VAL  77          HG13      VAL  77  -8.902  10.527   0.585
  584   HG21  VAL  77          HG21      VAL  77  -5.221   9.456   1.297
  585   HG22  VAL  77          HG22      VAL  77  -5.892   8.138   2.257
  586   HG23  VAL  77          HG23      VAL  77  -6.199   9.811   2.721
  587    H    GLY  78           H        GLY  78  -8.737   7.525  -1.164
  588    HA2  GLY  78           HA3      GLY  78 -11.219   8.874  -1.339
  589    HA3  GLY  78           HA2      GLY  78 -10.699   7.601  -2.441
  590    H    ALA  79           H        ALA  79 -10.493   5.547  -0.350
  591    HA   ALA  79           HA       ALA  79 -13.413   5.063  -0.018
  592    HB1  ALA  79           HB1      ALA  79 -12.894   2.718   0.054
  593    HB2  ALA  79           HB2      ALA  79 -11.171   3.049   0.228
  594    HB3  ALA  79           HB3      ALA  79 -11.988   3.405  -1.294
  595    H    THR  80           H        THR  80 -10.353   4.622   1.762
  596    HA   THR  80           HA       THR  80 -11.915   4.949   4.292
  597    HB   THR  80           HB       THR  80  -9.481   3.199   3.911
  598    HG1  THR  80           HG1      THR  80 -12.204   2.486   4.225
  599   HG21  THR  80          HG21      THR  80  -9.531   3.807   6.172
  600   HG22  THR  80          HG22      THR  80 -10.460   2.308   6.159
  601   HG23  THR  80          HG23      THR  80 -11.293   3.861   6.214
  602    H    THR  81           H        THR  81 -11.078   6.447   5.712
  603    HA   THR  81           HA       THR  81  -8.398   7.588   5.051
  604    HB   THR  81           HB       THR  81  -9.898   9.275   4.397
  605    HG1  THR  81           HG1      THR  81  -9.820  10.775   6.237
  606   HG21  THR  81          HG21      THR  81 -11.486   8.652   6.904
  607   HG22  THR  81          HG22      THR  81 -11.936   8.201   5.260
  608   HG23  THR  81          HG23      THR  81 -11.884   9.901   5.725
  609    HA   PRO  82           HA       PRO  82  -8.244   5.963   9.376
  610    HB2  PRO  82           HB2      PRO  82  -5.347   6.016   8.816
  611    HB3  PRO  82           HB3      PRO  82  -6.358   4.674   9.379
  612    HG2  PRO  82           HG3      PRO  82  -5.342   4.791   6.889
  613    HG3  PRO  82           HG2      PRO  82  -6.886   4.010   7.266
  614    HD2  PRO  82           HD3      PRO  82  -6.382   6.651   5.963
  615    HD3  PRO  82           HD2      PRO  82  -7.706   5.495   5.699
  616    HA   PRO  83           HA       PRO  83  -6.846   9.488  11.667
  617    HB2  PRO  83           HB2      PRO  83  -4.462   8.191  12.836
  618    HB3  PRO  83           HB3      PRO  83  -5.914   8.809  13.642
  619    HG2  PRO  83           HG3      PRO  83  -5.408   6.184  13.395
  620    HG3  PRO  83           HG2      PRO  83  -7.051   6.846  13.398
  621    HD2  PRO  83           HD3      PRO  83  -5.423   5.853  11.092
  622    HD3  PRO  83           HD2      PRO  83  -7.177   5.750  11.365
  623    H    VAL  84           H        VAL  84  -5.379  11.287  11.574
  624    HA   VAL  84           HA       VAL  84  -3.403  11.067   9.378
  625    HB   VAL  84           HB       VAL  84  -4.272  13.530  10.916
  626   HG11  VAL  84          HG11      VAL  84  -3.343  14.750   9.060
  627   HG12  VAL  84          HG12      VAL  84  -3.086  13.267   8.141
  628   HG13  VAL  84          HG13      VAL  84  -2.120  13.591   9.581
  629   HG21  VAL  84          HG21      VAL  84  -5.768  11.898   9.112
  630   HG22  VAL  84          HG22      VAL  84  -5.355  13.390   8.267
  631   HG23  VAL  84          HG23      VAL  84  -6.226  13.456   9.799
  632    H    GLU  85           H        GLU  85  -1.275  10.849   9.804
  633    HA   GLU  85           HA       GLU  85  -0.128  12.041  12.251
  634    HB2  GLU  85           HB3      GLU  85   0.153   9.096  11.568
  635    HB3  GLU  85           HB2      GLU  85   1.014   9.929  12.862
  636    HG2  GLU  85           HG3      GLU  85  -1.182  10.529  13.886
  637    HG3  GLU  85           HG2      GLU  85  -1.990   9.580  12.637
  638    H    ALA  86           H        ALA  86   2.222  12.257  12.076
  639    HA   ALA  86           HA       ALA  86   3.110  12.785   9.390
  640    HB1  ALA  86           HB1      ALA  86   4.898  12.393  11.801
  641    HB2  ALA  86           HB2      ALA  86   3.972  13.870  11.536
  642    HB3  ALA  86           HB3      ALA  86   5.208  13.385  10.376
  643    H    LYS  87           H        LYS  87   4.243  11.474   7.978
  644    HA   LYS  87           HA       LYS  87   4.212   8.649   8.319
  645    HB2  LYS  87           HB3      LYS  87   4.391   9.850   6.118
  646    HB3  LYS  87           HB2      LYS  87   6.068  10.227   6.514
  647    HG2  LYS  87           HG3      LYS  87   6.550   7.805   6.729
  648    HG3  LYS  87           HG2      LYS  87   4.882   7.445   6.283
  649    HD2  LYS  87           HD3      LYS  87   5.262   8.695   4.132
  650    HD3  LYS  87           HD2      LYS  87   6.966   8.824   4.569
  651    HE2  LYS  87           HE3      LYS  87   5.379   6.377   3.846
  652    HE3  LYS  87           HE2      LYS  87   6.966   6.886   3.268
  653    HZ1  LYS  87           HZ1      LYS  87   7.625   5.320   4.735
  654    HZ2  LYS  87           HZ2      LYS  87   6.242   5.465   5.706
  655    HZ3  LYS  87           HZ3      LYS  87   7.494   6.607   5.837
  656    H    LEU  88           H        LEU  88   6.757  11.047   8.921
  657    HA   LEU  88           HA       LEU  88   8.530   8.881   9.926
  658    HB2  LEU  88           HB3      LEU  88   9.117  11.838   9.578
  659    HB3  LEU  88           HB2      LEU  88  10.291  10.567   9.923
  660    HG   LEU  88           HG       LEU  88   8.609  10.825   7.414
  661   HD11  LEU  88          HD11      LEU  88  10.433  11.747   6.422
  662   HD12  LEU  88          HD12      LEU  88  11.546  10.662   7.257
  663   HD13  LEU  88          HD13      LEU  88  10.950  12.110   8.068
  664   HD21  LEU  88          HD21      LEU  88  10.300   8.888   6.780
  665   HD22  LEU  88          HD22      LEU  88   8.806   8.516   7.640
  666   HD23  LEU  88          HD23      LEU  88  10.328   8.630   8.524
  667    H    GLN  89           H        GLN  89   9.118   8.765  12.099
  668    HA   GLN  89           HA       GLN  89   8.657   8.979  14.406
  669    HB2  GLN  89           HB3      GLN  89  10.289  10.816  13.941
  670    HB3  GLN  89           HB2      GLN  89   8.931  11.910  13.675
  671    HG2  GLN  89           HG3      GLN  89   8.123  11.411  15.982
  672    HG3  GLN  89           HG2      GLN  89   9.560  10.420  16.240
  673   HE21  GLN  89          HE22      GLN  89  10.707  12.758  14.258
  674   HE22  GLN  89          HE21      GLN  89  11.196  13.916  15.399
  675    H1   PN7 101           3HO      SAT  38   1.164  -3.041 -14.090
  676    H2   PN7 101           1H1      SAT  38   0.619  -6.189 -11.063
  677    H3   PN7 101           2H1      SAT  38  -0.905  -5.982 -11.927
  678    H5   PN7 101          3HE1      SAT  38   2.635  -3.975 -13.190
  679    H6   PN7 101          1HE1      SAT  38   2.565  -5.735 -13.280
  680    H7   PN7 101          2HE1      SAT  38   2.614  -4.934 -11.709
  681    H8   PN7 101          2HE2      SAT  38   1.042  -3.273 -11.236
  682    H9   PN7 101          3HE2      SAT  38  -0.637  -3.790 -11.380
  683    H10  PN7 101          1HE2      SAT  38   0.077  -2.757 -12.617
  684    H11  PN7 101           3H       SAT  38   0.596  -5.555 -14.713
  685    H12  PN7 101           5H       SAT  38  -1.509  -2.985 -13.366
  686    H13  PN7 101           2H6      SAT  38  -3.860  -4.498 -14.298
  687    H14  PN7 101           1H6      SAT  38  -3.878  -2.867 -13.628
  688    H15  PN7 101           1H7      SAT  38  -4.741  -3.907 -11.787
  689    H16  PN7 101           2H7      SAT  38  -3.053  -4.296 -11.456
  690    H17  PN7 101           9H       SAT  38  -2.580  -6.714 -11.439
  691    H18  PN7 101          2H10      SAT  38  -5.311  -7.307 -10.466
  692    H19  PN7 101          1H10      SAT  38  -3.810  -7.861  -9.725
  693    H20  PN7 101          1H11      SAT  38  -4.233  -9.849 -10.722
  694    H21  PN7 101          2H11      SAT  38  -3.758  -9.060 -12.226
  695    H22  PN7 101          2HS1      SAT  38  -6.484  -8.345 -12.219
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1  -0.410  15.850   5.343
    2    H2   MET   1           H2       MET   1  -1.083  16.132   3.809
    3    H3   MET   1           H3       MET   1   0.581  15.824   3.966
    4    HA   MET   1           HA       MET   1  -0.719  13.900   3.131
    5    HB2  MET   1           HB3      MET   1   0.756  13.698   5.769
    6    HB3  MET   1           HB2      MET   1   0.300  12.297   4.797
    7    HG2  MET   1           HG3      MET   1   1.571  13.211   2.887
    8    HG3  MET   1           HG2      MET   1   2.040  14.597   3.869
    9    HE1  MET   1           HE1      MET   1   4.789  14.146   3.707
   10    HE2  MET   1           HE2      MET   1   3.997  13.251   2.412
   11    HE3  MET   1           HE3      MET   1   5.254  12.477   3.387
   12    H    GLN   2           H        GLN   2  -2.921  13.685   3.208
   13    HA   GLN   2           HA       GLN   2  -4.592  14.010   5.467
   14    HB2  GLN   2           HB3      GLN   2  -5.349  13.804   3.072
   15    HB3  GLN   2           HB2      GLN   2  -5.048  12.070   3.181
   16    HG2  GLN   2           HG3      GLN   2  -6.669  11.860   4.987
   17    HG3  GLN   2           HG2      GLN   2  -6.918  13.606   5.008
   18   HE21  GLN   2          HE22      GLN   2  -9.202  12.170   4.570
   19   HE22  GLN   2          HE21      GLN   2  -9.660  12.219   2.936
   20    H    HIS   3           H        HIS   3  -2.891  11.141   4.268
   21    HA   HIS   3           HA       HIS   3  -2.800   9.970   6.920
   22    HB2  HIS   3           HB3      HIS   3  -4.706   8.853   4.856
   23    HB3  HIS   3           HB2      HIS   3  -4.023   7.840   6.127
   24    HD1  HIS   3           HD1      HIS   3  -6.753  10.157   5.471
   25    HD2  HIS   3           HD2      HIS   3  -4.615   8.957   8.846
   26    HE1  HIS   3           HE1      HIS   3  -8.137  10.845   7.480
   27    HE2  HIS   3           HE2      HIS   3  -6.845  10.120   9.538
   28    H    ALA   4           H        ALA   4  -1.146  10.697   4.506
   29    HA   ALA   4           HA       ALA   4  -0.223   8.358   3.178
   30    HB1  ALA   4           HB1      ALA   4   1.399   9.718   2.277
   31    HB2  ALA   4           HB2      ALA   4   1.735  10.513   3.815
   32    HB3  ALA   4           HB3      ALA   4   0.309  10.967   2.881
   33    H    SER   5           H        SER   5   0.627   9.726   6.329
   34    HA   SER   5           HA       SER   5   2.993   8.211   6.765
   35    HB2  SER   5           HB3      SER   5   2.674   8.680   9.122
   36    HB3  SER   5           HB2      SER   5   2.179  10.103   8.210
   37    HG   SER   5           HG       SER   5   0.407   9.843   9.333
   38    H    VAL   6           H        VAL   6  -0.414   7.407   7.419
   39    HA   VAL   6           HA       VAL   6   0.186   4.840   8.600
   40    HB   VAL   6           HB       VAL   6  -2.311   5.921   7.282
   41   HG11  VAL   6          HG11      VAL   6  -3.408   3.936   8.430
   42   HG12  VAL   6          HG12      VAL   6  -1.789   3.283   8.675
   43   HG13  VAL   6          HG13      VAL   6  -2.403   3.527   7.040
   44   HG21  VAL   6          HG21      VAL   6  -1.925   7.051   9.335
   45   HG22  VAL   6          HG22      VAL   6  -1.352   5.582  10.126
   46   HG23  VAL   6          HG23      VAL   6  -3.064   5.769   9.745
   47    H    ILE   7           H        ILE   7  -0.543   5.951   5.329
   48    HA   ILE   7           HA       ILE   7  -0.713   3.412   4.071
   49    HB   ILE   7           HB       ILE   7   0.296   6.058   2.993
   50   HG12  ILE   7          HG13      ILE   7  -2.424   4.727   2.776
   51   HG13  ILE   7          HG12      ILE   7  -2.036   5.992   3.941
   52   HG21  ILE   7          HG21      ILE   7  -0.617   3.531   1.575
   53   HG22  ILE   7          HG22      ILE   7   1.012   4.206   1.557
   54   HG23  ILE   7          HG23      ILE   7  -0.310   5.074   0.777
   55   HD11  ILE   7          HD11      ILE   7  -2.964   6.388   1.349
   56   HD12  ILE   7          HD12      ILE   7  -1.235   6.716   1.230
   57   HD13  ILE   7          HD13      ILE   7  -2.226   7.610   2.383
   58    H    ALA   8           H        ALA   8   2.122   5.555   4.494
   59    HA   ALA   8           HA       ALA   8   3.997   3.744   3.297
   60    HB1  ALA   8           HB1      ALA   8   4.214   6.069   5.189
   61    HB2  ALA   8           HB2      ALA   8   4.861   5.902   3.557
   62    HB3  ALA   8           HB3      ALA   8   5.627   5.055   4.901
   63    H    GLN   9           H        GLN   9   2.980   4.268   6.652
   64    HA   GLN   9           HA       GLN   9   4.656   2.250   7.812
   65    HB2  GLN   9           HB3      GLN   9   3.512   4.032   9.121
   66    HB3  GLN   9           HB2      GLN   9   1.960   3.277   8.758
   67    HG2  GLN   9           HG3      GLN   9   3.551   1.193   9.742
   68    HG3  GLN   9           HG2      GLN   9   3.912   2.565  10.787
   69   HE21  GLN   9          HE22      GLN   9   0.956   1.208   9.203
   70   HE22  GLN   9          HE21      GLN   9  -0.018   1.337  10.589
   71    H    PHE  10           H        PHE  10   1.410   2.209   6.435
   72    HA   PHE  10           HA       PHE  10   0.685  -0.442   7.202
   73    HB2  PHE  10           HB3      PHE  10  -0.861   1.323   6.296
   74    HB3  PHE  10           HB2      PHE  10  -0.156   1.054   4.704
   75    HD1  PHE  10           HD2      PHE  10  -2.239  -0.375   7.378
   76    HD2  PHE  10           HD1      PHE  10  -0.599  -0.999   3.459
   77    HE1  PHE  10           HE2      PHE  10  -3.802  -2.267   7.027
   78    HE2  PHE  10           HE1      PHE  10  -2.164  -2.891   3.106
   79    HZ   PHE  10           HZ       PHE  10  -3.763  -3.521   4.893
   80    H    VAL  11           H        VAL  11   2.035   0.767   4.125
   81    HA   VAL  11           HA       VAL  11   2.388  -1.909   3.064
   82    HB   VAL  11           HB       VAL  11   2.142   0.307   1.755
   83   HG11  VAL  11          HG11      VAL  11   4.130   1.549   1.311
   84   HG12  VAL  11          HG12      VAL  11   5.147   0.337   2.091
   85   HG13  VAL  11          HG13      VAL  11   4.078   1.350   3.062
   86   HG21  VAL  11          HG21      VAL  11   2.513  -1.402   0.283
   87   HG22  VAL  11          HG22      VAL  11   3.858  -2.051   1.222
   88   HG23  VAL  11          HG23      VAL  11   4.113  -0.672   0.153
   89    H    VAL  12           H        VAL  12   4.570   0.467   4.575
   90    HA   VAL  12           HA       VAL  12   6.965  -1.044   4.195
   91    HB   VAL  12           HB       VAL  12   6.301   0.929   6.386
   92   HG11  VAL  12          HG11      VAL  12   8.982   0.030   5.292
   93   HG12  VAL  12          HG12      VAL  12   8.299  -0.504   6.824
   94   HG13  VAL  12          HG13      VAL  12   8.721   1.189   6.593
   95   HG21  VAL  12          HG21      VAL  12   6.819   2.626   4.930
   96   HG22  VAL  12          HG22      VAL  12   6.263   1.456   3.735
   97   HG23  VAL  12          HG23      VAL  12   7.988   1.646   4.045
   98    H    GLU  13           H        GLU  13   4.548  -1.075   6.791
   99    HA   GLU  13           HA       GLU  13   5.942  -2.660   8.661
  100    HB2  GLU  13           HB3      GLU  13   3.727  -1.606   9.084
  101    HB3  GLU  13           HB2      GLU  13   2.992  -2.822   8.045
  102    HG2  GLU  13           HG3      GLU  13   3.887  -4.604   9.518
  103    HG3  GLU  13           HG2      GLU  13   4.547  -3.360  10.578
  104    H    GLU  14           H        GLU  14   4.294  -3.574   5.698
  105    HA   GLU  14           HA       GLU  14   4.284  -6.404   6.167
  106    HB2  GLU  14           HB3      GLU  14   2.955  -5.241   4.391
  107    HB3  GLU  14           HB2      GLU  14   4.454  -4.966   3.506
  108    HG2  GLU  14           HG3      GLU  14   4.855  -7.421   3.477
  109    HG3  GLU  14           HG2      GLU  14   3.299  -7.659   4.273
  110    H    PHE  15           H        PHE  15   6.730  -4.180   4.942
  111    HA   PHE  15           HA       PHE  15   8.684  -6.426   5.054
  112    HB2  PHE  15           HB3      PHE  15   9.685  -5.777   2.939
  113    HB3  PHE  15           HB2      PHE  15   7.967  -6.072   2.676
  114    HD1  PHE  15           HD1      PHE  15   6.374  -4.094   2.632
  115    HD2  PHE  15           HD2      PHE  15  10.644  -3.642   2.508
  116    HE1  PHE  15           HE1      PHE  15   6.105  -1.788   1.762
  117    HE2  PHE  15           HE2      PHE  15  10.374  -1.335   1.643
  118    HZ   PHE  15           HZ       PHE  15   8.105  -0.408   1.268
  119    H    LEU  16           H        LEU  16   8.352  -4.469   7.044
  120    HA   LEU  16           HA       LEU  16  10.228  -2.303   6.559
  121    HB2  LEU  16           HB3      LEU  16   9.492  -1.394   8.516
  122    HB3  LEU  16           HB2      LEU  16   8.146  -2.472   8.223
  123    HG   LEU  16           HG       LEU  16  10.527  -3.068  10.013
  124   HD11  LEU  16          HD11      LEU  16   7.776  -2.005  10.460
  125   HD12  LEU  16          HD12      LEU  16   9.283  -1.614  11.290
  126   HD13  LEU  16          HD13      LEU  16   8.438  -3.118  11.657
  127   HD21  LEU  16          HD21      LEU  16   8.896  -4.894   8.700
  128   HD22  LEU  16          HD22      LEU  16   8.097  -4.702  10.257
  129   HD23  LEU  16          HD23      LEU  16   9.783  -5.212  10.186
  130    HA   PRO  17           HA       PRO  17  13.751  -4.776   7.802
  131    HB2  PRO  17           HB2      PRO  17  15.639  -2.811   7.772
  132    HB3  PRO  17           HB3      PRO  17  14.965  -3.497   6.283
  133    HG2  PRO  17           HG3      PRO  17  14.300  -0.941   7.656
  134    HG3  PRO  17           HG2      PRO  17  14.477  -1.281   5.927
  135    HD2  PRO  17           HD3      PRO  17  12.050  -1.099   7.195
  136    HD3  PRO  17           HD2      PRO  17  12.327  -2.063   5.729
  137    H    ASP  18           H        ASP  18  15.837  -3.440   9.397
  138    HA   ASP  18           HA       ASP  18  14.584  -3.670  12.013
  139    HB2  ASP  18           HB3      ASP  18  17.373  -2.883  11.148
  140    HB3  ASP  18           HB2      ASP  18  16.884  -3.078  12.827
  141    H    VAL  19           H        VAL  19  14.200  -1.360   9.872
  142    HA   VAL  19           HA       VAL  19  14.554   0.901  11.803
  143    HB   VAL  19           HB       VAL  19  14.224   1.047   8.794
  144   HG11  VAL  19          HG11      VAL  19  15.311   3.347   9.332
  145   HG12  VAL  19          HG12      VAL  19  14.805   3.029  10.991
  146   HG13  VAL  19          HG13      VAL  19  13.602   3.128   9.706
  147   HG21  VAL  19          HG21      VAL  19  16.344   0.178   8.832
  148   HG22  VAL  19          HG22      VAL  19  16.591   0.590  10.529
  149   HG23  VAL  19          HG23      VAL  19  16.785   1.825   9.284
  150    H    ALA  20           H        ALA  20  12.729   2.047  12.401
  151    HA   ALA  20           HA       ALA  20  10.136   0.926  11.798
  152    HB1  ALA  20           HB1      ALA  20   9.662   2.026  13.703
  153    HB2  ALA  20           HB2      ALA  20   9.840   3.555  12.843
  154    HB3  ALA  20           HB3      ALA  20  11.232   2.827  13.644
  155    HA   PRO  21           HA       PRO  21   9.274   2.973   7.904
  156    HB2  PRO  21           HB2      PRO  21   6.593   3.537   9.084
  157    HB3  PRO  21           HB3      PRO  21   7.007   2.781   7.535
  158    HG2  PRO  21           HG3      PRO  21   6.138   1.366   9.639
  159    HG3  PRO  21           HG2      PRO  21   7.292   0.720   8.461
  160    HD2  PRO  21           HD3      PRO  21   7.757   1.543  11.269
  161    HD3  PRO  21           HD2      PRO  21   8.675   0.420  10.242
  162    H    ALA  22           H        ALA  22   8.473   4.534  10.965
  163    HA   ALA  22           HA       ALA  22   8.029   7.172   9.918
  164    HB1  ALA  22           HB1      ALA  22   8.944   7.697  12.398
  165    HB2  ALA  22           HB2      ALA  22   8.596   5.979  12.588
  166    HB3  ALA  22           HB3      ALA  22   7.315   7.089  12.103
  167    H    ASP  23           H        ASP  23  10.879   5.294  10.477
  168    HA   ASP  23           HA       ASP  23  12.601   7.702  10.126
  169    HB2  ASP  23           HB3      ASP  23  13.239   4.900  11.094
  170    HB3  ASP  23           HB2      ASP  23  14.453   6.152  10.829
  171    H    VAL  24           H        VAL  24  11.063   5.607   8.226
  172    HA   VAL  24           HA       VAL  24  13.360   5.053   6.419
  173    HB   VAL  24           HB       VAL  24  10.467   4.141   6.252
  174   HG11  VAL  24          HG11      VAL  24  11.145   3.890   4.071
  175   HG12  VAL  24          HG12      VAL  24  11.862   2.415   4.720
  176   HG13  VAL  24          HG13      VAL  24  12.856   3.855   4.497
  177   HG21  VAL  24          HG21      VAL  24  12.909   2.491   6.935
  178   HG22  VAL  24          HG22      VAL  24  11.212   2.045   7.115
  179   HG23  VAL  24          HG23      VAL  24  11.921   3.262   8.174
  180    H    ASP  25           H        ASP  25  13.505   6.066   4.414
  181    HA   ASP  25           HA       ASP  25  12.131   8.566   4.095
  182    HB2  ASP  25           HB3      ASP  25  14.388   8.031   3.130
  183    HB3  ASP  25           HB2      ASP  25  13.589   6.974   1.966
  184    H    VAL  26           H        VAL  26   9.895   8.287   4.009
  185    HA   VAL  26           HA       VAL  26   8.509   6.278   2.562
  186    HB   VAL  26           HB       VAL  26   7.290   7.543   4.166
  187   HG11  VAL  26          HG11      VAL  26   8.559   9.532   4.374
  188   HG12  VAL  26          HG12      VAL  26   7.001  10.074   3.750
  189   HG13  VAL  26          HG13      VAL  26   8.382   9.923   2.663
  190   HG21  VAL  26          HG21      VAL  26   5.381   8.167   2.961
  191   HG22  VAL  26          HG22      VAL  26   6.199   7.084   1.838
  192   HG23  VAL  26          HG23      VAL  26   6.322   8.831   1.628
  193    H    ASP  27           H        ASP  27  10.619   8.393   1.258
  194    HA   ASP  27           HA       ASP  27   9.029   8.977  -1.180
  195    HB2  ASP  27           HB3      ASP  27  11.821   9.813  -0.332
  196    HB3  ASP  27           HB2      ASP  27  11.069  10.267  -1.861
  197    H    LEU  28           H        LEU  28  10.368   6.323  -0.116
  198    HA   LEU  28           HA       LEU  28  12.187   5.669  -2.327
  199    HB2  LEU  28           HB3      LEU  28  12.500   4.761  -0.015
  200    HB3  LEU  28           HB2      LEU  28  11.006   3.850  -0.215
  201    HG   LEU  28           HG       LEU  28  12.002   2.782  -2.261
  202   HD11  LEU  28          HD11      LEU  28  14.695   2.998  -1.970
  203   HD12  LEU  28          HD12      LEU  28  14.203   4.625  -1.502
  204   HD13  LEU  28          HD13      LEU  28  13.759   3.991  -3.086
  205   HD21  LEU  28          HD21      LEU  28  12.903   2.434   0.533
  206   HD22  LEU  28          HD22      LEU  28  13.945   1.683  -0.676
  207   HD23  LEU  28          HD23      LEU  28  12.238   1.248  -0.591
  208    H    ASP  29           H        ASP  29  11.617   4.634  -4.178
  209    HA   ASP  29           HA       ASP  29   8.837   4.336  -4.834
  210    HB2  ASP  29           HB3      ASP  29   9.706   3.223  -6.908
  211    HB3  ASP  29           HB2      ASP  29  10.448   4.792  -6.595
  212    H    LEU  30           H        LEU  30   7.528   2.699  -4.243
  213    HA   LEU  30           HA       LEU  30   8.457   0.429  -2.790
  214    HB2  LEU  30           HB3      LEU  30   5.842   0.734  -4.304
  215    HB3  LEU  30           HB2      LEU  30   6.169  -0.438  -3.027
  216    HG   LEU  30           HG       LEU  30   6.185   2.579  -2.724
  217   HD11  LEU  30          HD11      LEU  30   4.393   1.316  -0.947
  218   HD12  LEU  30          HD12      LEU  30   4.127   0.555  -2.515
  219   HD13  LEU  30          HD13      LEU  30   3.980   2.304  -2.348
  220   HD21  LEU  30          HD21      LEU  30   6.261   1.680  -0.211
  221   HD22  LEU  30          HD22      LEU  30   7.743   1.933  -1.133
  222   HD23  LEU  30          HD23      LEU  30   7.066   0.312  -0.978
  223    H    VAL  31           H        VAL  31   8.690   1.093  -6.086
  224    HA   VAL  31           HA       VAL  31   8.111  -1.317  -7.375
  225    HB   VAL  31           HB       VAL  31  10.388   0.625  -7.814
  226   HG11  VAL  31          HG11      VAL  31  10.488  -0.547 -10.103
  227   HG12  VAL  31          HG12      VAL  31   9.619  -1.873  -9.331
  228   HG13  VAL  31          HG13      VAL  31  11.214  -1.403  -8.743
  229   HG21  VAL  31          HG21      VAL  31   7.772   1.005  -8.239
  230   HG22  VAL  31          HG22      VAL  31   8.147   0.134  -9.726
  231   HG23  VAL  31          HG23      VAL  31   8.990   1.635  -9.349
  232    H    ASP  32           H        ASP  32  11.038  -0.468  -5.542
  233    HA   ASP  32           HA       ASP  32  12.487  -2.870  -5.987
  234    HB2  ASP  32           HB3      ASP  32  12.348  -1.105  -3.518
  235    HB3  ASP  32           HB2      ASP  32  13.530  -2.396  -3.742
  236    H    ASN  33           H        ASN  33   9.872  -2.063  -3.791
  237    HA   ASN  33           HA       ASN  33   9.857  -4.734  -2.566
  238    HB2  ASN  33           HB3      ASN  33   7.923  -2.423  -2.290
  239    HB3  ASN  33           HB2      ASN  33   7.927  -3.881  -1.299
  240   HD21  ASN  33          HD22      ASN  33   9.218  -0.721  -1.563
  241   HD22  ASN  33          HD21      ASN  33  10.419  -0.861  -0.372
  242    H    GLY  34           H        GLY  34   9.263  -3.985  -5.522
  243    HA2  GLY  34           HA3      GLY  34   6.652  -4.299  -6.310
  244    HA3  GLY  34           HA2      GLY  34   7.976  -5.092  -7.166
  245    H    VAL  35           H        VAL  35   8.458  -6.544  -4.436
  246    HA   VAL  35           HA       VAL  35   7.240  -9.009  -5.106
  247    HB   VAL  35           HB       VAL  35   8.092  -7.895  -2.415
  248   HG11  VAL  35          HG11      VAL  35   6.651 -10.355  -3.110
  249   HG12  VAL  35          HG12      VAL  35   6.904  -9.608  -1.532
  250   HG13  VAL  35          HG13      VAL  35   8.146 -10.652  -2.224
  251   HG21  VAL  35          HG21      VAL  35  10.131  -8.974  -2.792
  252   HG22  VAL  35          HG22      VAL  35   9.718  -8.423  -4.416
  253   HG23  VAL  35          HG23      VAL  35   9.432 -10.101  -3.955
  254    H    ILE  36           H        ILE  36   6.099  -6.321  -3.116
  255    HA   ILE  36           HA       ILE  36   3.664  -7.599  -2.236
  256    HB   ILE  36           HB       ILE  36   4.889  -5.482  -1.310
  257   HG12  ILE  36          HG13      ILE  36   1.874  -5.580  -1.655
  258   HG13  ILE  36          HG12      ILE  36   2.798  -6.379  -0.385
  259   HG21  ILE  36          HG21      ILE  36   4.293  -3.404  -2.251
  260   HG22  ILE  36          HG22      ILE  36   2.955  -4.101  -3.165
  261   HG23  ILE  36          HG23      ILE  36   4.618  -4.411  -3.663
  262   HD11  ILE  36          HD11      ILE  36   2.622  -3.389  -0.843
  263   HD12  ILE  36          HD12      ILE  36   3.615  -4.167   0.390
  264   HD13  ILE  36          HD13      ILE  36   1.857  -4.285   0.469
  265    H    ASP  37           H        ASP  37   4.596  -5.888  -5.123
  266    HA   ASP  37           HA       ASP  37   2.052  -5.008  -6.008
  267    HB2  ASP  37           HB3      ASP  37   4.457  -5.891  -7.617
  268    HB3  ASP  37           HB2      ASP  37   3.049  -5.083  -8.300
  269    H    SER  38           H        SER  38   3.503  -8.228  -6.171
  270    HA   SER  38           HA       SER  38   1.099  -9.134  -7.699
  271    HB2  SER  38           2HB      SER  38   3.495 -10.876  -7.358
  272    HB3  SER  38           1HB      SER  38   2.386 -10.747  -8.720
  273    H    LEU  39           H        LEU  39   3.344 -10.631  -5.341
  274    HA   LEU  39           HA       LEU  39   1.355 -12.480  -4.434
  275    HB2  LEU  39           HB3      LEU  39   3.826 -12.818  -4.230
  276    HB3  LEU  39           HB2      LEU  39   3.838 -11.593  -2.967
  277    HG   LEU  39           HG       LEU  39   1.830 -13.728  -2.601
  278   HD11  LEU  39          HD11      LEU  39   3.727 -15.191  -1.610
  279   HD12  LEU  39          HD12      LEU  39   4.799 -14.259  -2.656
  280   HD13  LEU  39          HD13      LEU  39   3.498 -15.220  -3.359
  281   HD21  LEU  39          HD21      LEU  39   2.292 -13.358  -0.338
  282   HD22  LEU  39          HD22      LEU  39   2.642 -11.775  -1.030
  283   HD23  LEU  39          HD23      LEU  39   3.960 -12.884  -0.655
  284    H    GLY  40           H        GLY  40   2.681  -9.555  -2.887
  285    HA2  GLY  40           HA3      GLY  40   0.849  -9.683  -0.663
  286    HA3  GLY  40           HA2      GLY  40   1.825  -8.289  -1.105
  287    H    LEU  41           H        LEU  41   0.830  -7.935  -3.748
  288    HA   LEU  41           HA       LEU  41  -1.431  -6.300  -3.256
  289    HB2  LEU  41           HB3      LEU  41   0.106  -6.146  -5.249
  290    HB3  LEU  41           HB2      LEU  41  -0.691  -7.576  -5.904
  291    HG   LEU  41           HG       LEU  41  -2.514  -5.410  -5.032
  292   HD11  LEU  41          HD11      LEU  41  -2.086  -4.216  -7.250
  293   HD12  LEU  41          HD12      LEU  41  -0.559  -5.095  -7.319
  294   HD13  LEU  41          HD13      LEU  41  -0.869  -3.970  -5.996
  295   HD21  LEU  41          HD21      LEU  41  -2.410  -6.723  -7.734
  296   HD22  LEU  41          HD22      LEU  41  -3.815  -6.209  -6.802
  297   HD23  LEU  41          HD23      LEU  41  -2.933  -7.663  -6.338
  298    H    LEU  42           H        LEU  42  -1.208  -9.634  -4.452
  299    HA   LEU  42           HA       LEU  42  -3.990  -9.975  -5.006
  300    HB2  LEU  42           HB3      LEU  42  -2.171 -11.586  -5.668
  301    HB3  LEU  42           HB2      LEU  42  -2.061 -12.080  -3.986
  302    HG   LEU  42           HG       LEU  42  -4.626 -12.496  -4.177
  303   HD11  LEU  42          HD11      LEU  42  -4.192 -13.214  -6.988
  304   HD12  LEU  42          HD12      LEU  42  -4.183 -11.476  -6.701
  305   HD13  LEU  42          HD13      LEU  42  -5.582 -12.439  -6.229
  306   HD21  LEU  42          HD21      LEU  42  -3.248 -14.376  -3.817
  307   HD22  LEU  42          HD22      LEU  42  -2.414 -14.172  -5.358
  308   HD23  LEU  42          HD23      LEU  42  -4.074 -14.765  -5.326
  309    H    LYS  43           H        LYS  43  -2.085 -10.521  -2.047
  310    HA   LYS  43           HA       LYS  43  -4.325 -11.409  -0.470
  311    HB2  LYS  43           HB3      LYS  43  -1.668 -10.212   0.328
  312    HB3  LYS  43           HB2      LYS  43  -2.809 -10.938   1.453
  313    HG2  LYS  43           HG3      LYS  43  -2.684 -13.063   0.146
  314    HG3  LYS  43           HG2      LYS  43  -1.444 -12.326  -0.869
  315    HD2  LYS  43           HD3      LYS  43  -0.060 -11.938   1.175
  316    HD3  LYS  43           HD2      LYS  43  -1.272 -12.803   2.121
  317    HE2  LYS  43           HE3      LYS  43  -0.863 -14.847   0.962
  318    HE3  LYS  43           HE2      LYS  43   0.065 -14.032  -0.296
  319    HZ1  LYS  43           HZ1      LYS  43   1.566 -13.332   1.654
  320    HZ2  LYS  43           HZ2      LYS  43   1.694 -14.913   1.053
  321    HZ3  LYS  43           HZ3      LYS  43   0.831 -14.618   2.487
  322    H    VAL  44           H        VAL  44  -2.791  -8.250  -0.995
  323    HA   VAL  44           HA       VAL  44  -4.320  -6.825   0.963
  324    HB   VAL  44           HB       VAL  44  -2.979  -5.887  -1.584
  325   HG11  VAL  44          HG11      VAL  44  -3.088  -3.671  -0.111
  326   HG12  VAL  44          HG12      VAL  44  -4.527  -4.458   0.539
  327   HG13  VAL  44          HG13      VAL  44  -4.413  -4.115  -1.187
  328   HG21  VAL  44          HG21      VAL  44  -1.961  -5.156   1.095
  329   HG22  VAL  44          HG22      VAL  44  -1.078  -5.679  -0.339
  330   HG23  VAL  44          HG23      VAL  44  -1.851  -6.872   0.704
  331    H    ILE  45           H        ILE  45  -4.836  -7.284  -2.539
  332    HA   ILE  45           HA       ILE  45  -7.217  -5.716  -2.686
  333    HB   ILE  45           HB       ILE  45  -5.893  -7.788  -4.364
  334   HG12  ILE  45          HG13      ILE  45  -6.041  -6.061  -6.036
  335   HG13  ILE  45          HG12      ILE  45  -7.230  -5.168  -5.090
  336   HG21  ILE  45          HG21      ILE  45  -8.079  -8.706  -4.492
  337   HG22  ILE  45          HG22      ILE  45  -7.936  -7.672  -5.913
  338   HG23  ILE  45          HG23      ILE  45  -8.834  -7.111  -4.503
  339   HD11  ILE  45          HD11      ILE  45  -5.651  -4.348  -3.620
  340   HD12  ILE  45          HD12      ILE  45  -4.640  -4.512  -5.055
  341   HD13  ILE  45          HD13      ILE  45  -4.600  -5.751  -3.803
  342    H    ALA  46           H        ALA  46  -6.698  -9.182  -2.073
  343    HA   ALA  46           HA       ALA  46  -9.477  -9.879  -1.949
  344    HB1  ALA  46           HB1      ALA  46  -8.506 -11.806  -0.481
  345    HB2  ALA  46           HB2      ALA  46  -6.939 -11.120  -0.913
  346    HB3  ALA  46           HB3      ALA  46  -8.022 -11.708  -2.175
  347    H    TRP  47           H        TRP  47  -7.145  -8.911   0.569
  348    HA   TRP  47           HA       TRP  47  -9.117  -9.147   2.700
  349    HB2  TRP  47           HB3      TRP  47  -7.016  -9.363   3.610
  350    HB3  TRP  47           HB2      TRP  47  -6.287  -8.247   2.456
  351    HD1  TRP  47           HD1      TRP  47  -8.159  -8.345   5.773
  352    HE1  TRP  47           HE1      TRP  47  -7.979  -6.031   6.898
  353    HE3  TRP  47           HE3      TRP  47  -5.992  -5.692   1.992
  354    HZ2  TRP  47           HZ2      TRP  47  -7.034  -3.401   6.272
  355    HZ3  TRP  47           HZ3      TRP  47  -5.460  -3.291   2.278
  356    HH2  TRP  47           HH2      TRP  47  -5.979  -2.143   4.411
  357    H    LEU  48           H        LEU  48  -7.646  -6.431   0.921
  358    HA   LEU  48           HA       LEU  48  -8.931  -4.332   2.298
  359    HB2  LEU  48           HB3      LEU  48  -7.110  -4.096   0.582
  360    HB3  LEU  48           HB2      LEU  48  -8.304  -4.423  -0.664
  361    HG   LEU  48           HG       LEU  48  -9.614  -2.475   0.565
  362   HD11  LEU  48          HD11      LEU  48  -7.832  -2.340   2.328
  363   HD12  LEU  48          HD12      LEU  48  -8.116  -0.813   1.493
  364   HD13  LEU  48          HD13      LEU  48  -6.713  -1.799   1.080
  365   HD21  LEU  48          HD21      LEU  48  -9.177  -2.034  -1.659
  366   HD22  LEU  48          HD22      LEU  48  -7.474  -2.471  -1.514
  367   HD23  LEU  48          HD23      LEU  48  -8.035  -0.902  -0.933
  368    H    GLU  49           H        GLU  49 -10.052  -6.227  -0.510
  369    HA   GLU  49           HA       GLU  49 -12.496  -4.771  -0.871
  370    HB2  GLU  49           HB3      GLU  49 -11.792  -6.201  -2.653
  371    HB3  GLU  49           HB2      GLU  49 -11.663  -7.592  -1.580
  372    HG2  GLU  49           HG3      GLU  49 -14.331  -6.331  -1.630
  373    HG3  GLU  49           HG2      GLU  49 -13.837  -7.065  -3.154
  374    H    ASP  50           H        ASP  50 -11.662  -7.627   1.062
  375    HA   ASP  50           HA       ASP  50 -14.324  -8.143   2.000
  376    HB2  ASP  50           HB3      ASP  50 -12.390  -9.746   2.094
  377    HB3  ASP  50           HB2      ASP  50 -11.728  -8.769   3.403
  378    H    ARG  51           H        ARG  51 -11.599  -6.371   3.450
  379    HA   ARG  51           HA       ARG  51 -12.929  -5.688   5.874
  380    HB2  ARG  51           HB3      ARG  51 -10.476  -5.494   5.504
  381    HB3  ARG  51           HB2      ARG  51 -10.772  -4.111   4.449
  382    HG2  ARG  51           HG3      ARG  51 -11.870  -2.922   6.315
  383    HG3  ARG  51           HG2      ARG  51 -11.560  -4.300   7.372
  384    HD2  ARG  51           HD3      ARG  51  -9.119  -4.028   6.954
  385    HD3  ARG  51           HD2      ARG  51  -9.469  -2.589   5.996
  386    HE   ARG  51           HE       ARG  51 -10.545  -2.541   8.730
  387   HH11  ARG  51          HH22      ARG  51  -7.981  -1.804   6.547
  388   HH12  ARG  51          HH21      ARG  51  -7.320  -0.546   7.538
  389   HH21  ARG  51          HH11      ARG  51  -9.697  -0.903  10.037
  390   HH22  ARG  51          HH12      ARG  51  -8.292  -0.037   9.514
  391    H    PHE  52           H        PHE  52 -12.721  -3.895   2.781
  392    HA   PHE  52           HA       PHE  52 -14.631  -1.916   3.915
  393    HB2  PHE  52           HB3      PHE  52 -12.869  -1.834   1.453
  394    HB3  PHE  52           HB2      PHE  52 -13.975  -0.552   1.935
  395    HD1  PHE  52           HD2      PHE  52 -13.656   0.602   4.153
  396    HD2  PHE  52           HD1      PHE  52 -10.752  -2.107   2.519
  397    HE1  PHE  52           HE2      PHE  52 -11.948   1.493   5.713
  398    HE2  PHE  52           HE1      PHE  52  -9.043  -1.216   4.080
  399    HZ   PHE  52           HZ       PHE  52  -9.641   0.584   5.677
  400    H    GLY  53           H        GLY  53 -14.676  -4.699   2.042
  401    HA2  GLY  53           HA3      GLY  53 -16.411  -5.642   0.757
  402    HA3  GLY  53           HA2      GLY  53 -17.429  -4.303   1.292
  403    H    ILE  54           H        ILE  54 -14.365  -3.778  -0.345
  404    HA   ILE  54           HA       ILE  54 -15.891  -2.541  -2.591
  405    HB   ILE  54           HB       ILE  54 -12.975  -2.207  -1.829
  406   HG12  ILE  54          HG13      ILE  54 -15.263  -0.279  -1.356
  407   HG13  ILE  54          HG12      ILE  54 -14.686  -1.401  -0.122
  408   HG21  ILE  54          HG21      ILE  54 -14.813  -0.804  -3.784
  409   HG22  ILE  54          HG22      ILE  54 -13.315  -1.662  -4.144
  410   HG23  ILE  54          HG23      ILE  54 -13.267  -0.132  -3.268
  411   HD11  ILE  54          HD11      ILE  54 -13.000   0.690  -1.529
  412   HD12  ILE  54          HD12      ILE  54 -12.422  -0.440  -0.304
  413   HD13  ILE  54          HD13      ILE  54 -13.602   0.799   0.125
  414    H    ALA  55           H        ALA  55 -15.749  -3.421  -4.612
  415    HA   ALA  55           HA       ALA  55 -14.573  -5.989  -5.033
  416    HB1  ALA  55           HB1      ALA  55 -15.518  -3.857  -6.965
  417    HB2  ALA  55           HB2      ALA  55 -16.383  -5.309  -6.460
  418    HB3  ALA  55           HB3      ALA  55 -14.956  -5.445  -7.487
  419    H    ALA  56           H        ALA  56 -12.683  -6.555  -6.256
  420    HA   ALA  56           HA       ALA  56 -10.365  -5.021  -5.724
  421    HB1  ALA  56           HB1      ALA  56 -10.834  -7.073  -7.911
  422    HB2  ALA  56           HB2      ALA  56 -10.247  -7.406  -6.281
  423    HB3  ALA  56           HB3      ALA  56  -9.251  -6.481  -7.406
  424    H    ASP  57           H        ASP  57 -12.606  -4.946  -8.431
  425    HA   ASP  57           HA       ASP  57 -12.745  -3.504 -10.274
  426    HB2  ASP  57           HB3      ASP  57 -11.221  -1.740  -8.349
  427    HB3  ASP  57           HB2      ASP  57 -11.954  -1.175  -9.848
  428    H    ASP  58           H        ASP  58 -10.731  -5.392 -10.546
  429    HA   ASP  58           HA       ASP  58  -8.237  -4.043 -11.291
  430    HB2  ASP  58           HB3      ASP  58  -8.282  -6.365 -10.362
  431    HB3  ASP  58           HB2      ASP  58  -9.103  -6.888 -11.831
  432    H    VAL  59           H        VAL  59  -8.106  -2.946 -13.182
  433    HA   VAL  59           HA       VAL  59  -9.571  -4.048 -15.547
  434    HB   VAL  59           HB       VAL  59 -10.794  -2.114 -15.227
  435   HG11  VAL  59          HG11      VAL  59  -9.401   0.032 -14.451
  436   HG12  VAL  59          HG12      VAL  59  -8.325  -1.210 -13.810
  437   HG13  VAL  59          HG13      VAL  59 -10.007  -1.145 -13.285
  438   HG21  VAL  59          HG21      VAL  59  -8.396  -0.816 -16.528
  439   HG22  VAL  59          HG22      VAL  59 -10.105  -0.514 -16.837
  440   HG23  VAL  59          HG23      VAL  59  -9.364  -2.019 -17.379
  441    H    GLU  60           H        GLU  60  -6.832  -2.050 -14.461
  442    HA   GLU  60           HA       GLU  60  -4.997  -3.342 -16.255
  443    HB2  GLU  60           HB3      GLU  60  -6.303  -1.990 -17.909
  444    HB3  GLU  60           HB2      GLU  60  -5.812  -0.534 -17.052
  445    HG2  GLU  60           HG3      GLU  60  -3.439  -1.155 -17.431
  446    HG3  GLU  60           HG2      GLU  60  -3.980  -2.536 -18.377
  447    H    LEU  61           H        LEU  61  -3.917  -3.341 -14.158
  448    HA   LEU  61           HA       LEU  61  -2.987  -0.698 -13.192
  449    HB2  LEU  61           HB3      LEU  61  -2.687  -3.470 -12.004
  450    HB3  LEU  61           HB2      LEU  61  -2.122  -1.983 -11.249
  451    HG   LEU  61           HG       LEU  61  -4.475  -1.121 -11.352
  452   HD11  LEU  61          HD11      LEU  61  -5.701  -2.283 -12.907
  453   HD12  LEU  61          HD12      LEU  61  -6.099  -3.260 -11.495
  454   HD13  LEU  61          HD13      LEU  61  -4.843  -3.794 -12.610
  455   HD21  LEU  61          HD21      LEU  61  -5.134  -2.223  -9.365
  456   HD22  LEU  61          HD22      LEU  61  -3.377  -2.379  -9.375
  457   HD23  LEU  61          HD23      LEU  61  -4.387  -3.741  -9.861
  458    H    SER  62           H        SER  62  -0.793  -0.137 -13.193
  459    HA   SER  62           HA       SER  62   1.059  -2.047 -14.548
  460    HB2  SER  62           HB3      SER  62   0.191   0.567 -15.424
  461    HB3  SER  62           HB2      SER  62   1.928   0.574 -15.130
  462    HG   SER  62           HG       SER  62   2.208  -0.853 -16.692
  463    HA   PRO  63           HA       PRO  63   3.958  -1.372 -11.322
  464    HB2  PRO  63           HB2      PRO  63   6.278  -0.780 -12.750
  465    HB3  PRO  63           HB3      PRO  63   5.669  -2.410 -12.418
  466    HG2  PRO  63           HG3      PRO  63   5.461  -0.776 -14.880
  467    HG3  PRO  63           HG2      PRO  63   5.622  -2.530 -14.692
  468    HD2  PRO  63           HD3      PRO  63   3.259  -1.340 -15.337
  469    HD3  PRO  63           HD2      PRO  63   3.346  -2.844 -14.395
  470    H    GLU  64           H        GLU  64   3.606   1.128 -13.732
  471    HA   GLU  64           HA       GLU  64   5.199   3.164 -12.528
  472    HB2  GLU  64           HB3      GLU  64   2.691   3.384 -14.196
  473    HB3  GLU  64           HB2      GLU  64   3.744   4.734 -13.804
  474    HG2  GLU  64           HG3      GLU  64   5.627   3.543 -14.885
  475    HG3  GLU  64           HG2      GLU  64   4.522   2.250 -15.336
  476    H    HIS  65           H        HIS  65   1.972   1.976 -11.816
  477    HA   HIS  65           HA       HIS  65   1.148   4.199 -10.181
  478    HB2  HIS  65           HB3      HIS  65  -0.458   2.546 -11.055
  479    HB3  HIS  65           HB2      HIS  65   0.290   1.291 -10.066
  480    HD1  HIS  65           HD1      HIS  65  -1.071   4.809  -9.398
  481    HD2  HIS  65           HD2      HIS  65  -1.111   0.991  -7.717
  482    HE1  HIS  65           HE1      HIS  65  -2.454   4.970  -7.280
  483    HE2  HIS  65           HE2      HIS  65  -2.488   2.652  -6.252
  484    H    PHE  66           H        PHE  66   3.176   1.414  -9.605
  485    HA   PHE  66           HA       PHE  66   3.180   1.950  -6.684
  486    HB2  PHE  66           HB3      PHE  66   4.557  -0.233  -8.281
  487    HB3  PHE  66           HB2      PHE  66   4.462  -0.139  -6.521
  488    HD1  PHE  66           HD2      PHE  66   2.576  -0.743  -9.625
  489    HD2  PHE  66           HD1      PHE  66   2.367  -0.573  -5.340
  490    HE1  PHE  66           HE2      PHE  66   0.364  -1.858  -9.692
  491    HE2  PHE  66           HE1      PHE  66   0.151  -1.686  -5.405
  492    HZ   PHE  66           HZ       PHE  66  -0.850  -2.327  -7.583
  493    H    ARG  67           H        ARG  67   4.622   3.295  -9.233
  494    HA   ARG  67           HA       ARG  67   7.404   3.177  -8.811
  495    HB2  ARG  67           HB3      ARG  67   6.306   4.329 -10.728
  496    HB3  ARG  67           HB2      ARG  67   5.787   5.607  -9.636
  497    HG2  ARG  67           HG3      ARG  67   7.755   6.475 -10.587
  498    HG3  ARG  67           HG2      ARG  67   8.309   5.823  -9.050
  499    HD2  ARG  67           HD3      ARG  67   9.069   3.770 -10.164
  500    HD3  ARG  67           HD2      ARG  67   8.456   4.367 -11.705
  501    HE   ARG  67           HE       ARG  67  10.934   5.195 -10.404
  502   HH11  ARG  67          HH22      ARG  67   8.367   6.010 -12.555
  503   HH12  ARG  67          HH21      ARG  67   9.300   7.167 -13.444
  504   HH21  ARG  67          HH11      ARG  67  12.168   6.701 -11.552
  505   HH22  ARG  67          HH12      ARG  67  11.453   7.558 -12.876
  506    H    SER  68           H        SER  68   4.933   5.036  -7.104
  507    HA   SER  68           HA       SER  68   6.931   5.577  -4.981
  508    HB2  SER  68           HB3      SER  68   6.425   7.941  -4.887
  509    HB3  SER  68           HB2      SER  68   6.902   7.552  -6.538
  510    HG   SER  68           HG       SER  68   4.555   7.267  -6.891
  511    H    ILE  69           H        ILE  69   5.955   5.999  -2.918
  512    HA   ILE  69           HA       ILE  69   3.488   4.628  -2.447
  513    HB   ILE  69           HB       ILE  69   5.010   6.567  -0.683
  514   HG12  ILE  69          HG13      ILE  69   5.055   3.549  -0.732
  515   HG13  ILE  69          HG12      ILE  69   6.269   4.551  -1.511
  516   HG21  ILE  69          HG21      ILE  69   3.263   6.316   0.703
  517   HG22  ILE  69          HG22      ILE  69   3.704   4.614   0.825
  518   HG23  ILE  69          HG23      ILE  69   2.518   5.133  -0.371
  519   HD11  ILE  69          HD11      ILE  69   5.590   4.928   1.397
  520   HD12  ILE  69          HD12      ILE  69   7.052   5.413   0.538
  521   HD13  ILE  69          HD13      ILE  69   6.760   3.710   0.890
  522    H    ARG  70           H        ARG  70   4.317   8.049  -2.822
  523    HA   ARG  70           HA       ARG  70   1.866   9.166  -1.923
  524    HB2  ARG  70           HB3      ARG  70   3.928  10.474  -2.421
  525    HB3  ARG  70           HB2      ARG  70   3.650  10.204  -4.142
  526    HG2  ARG  70           HG3      ARG  70   1.470  11.336  -3.980
  527    HG3  ARG  70           HG2      ARG  70   1.725  11.592  -2.254
  528    HD2  ARG  70           HD3      ARG  70   2.347  13.632  -3.383
  529    HD3  ARG  70           HD2      ARG  70   3.834  12.854  -2.840
  530    HE   ARG  70           HE       ARG  70   3.144  12.060  -5.540
  531   HH11  ARG  70          HH22      ARG  70   4.498  14.533  -3.555
  532   HH12  ARG  70          HH21      ARG  70   5.508  15.172  -4.810
  533   HH21  ARG  70          HH11      ARG  70   4.455  12.880  -7.189
  534   HH22  ARG  70          HH12      ARG  70   5.483  14.235  -6.867
  535    H    SER  71           H        SER  71   2.779   7.919  -5.140
  536    HA   SER  71           HA       SER  71   0.486   8.806  -6.548
  537    HB2  SER  71           HB3      SER  71   1.959   6.187  -6.945
  538    HB3  SER  71           HB2      SER  71   0.985   7.037  -8.138
  539    HG   SER  71           HG       SER  71   3.404   7.332  -8.094
  540    H    ILE  72           H        ILE  72   1.010   5.811  -4.681
  541    HA   ILE  72           HA       ILE  72  -1.608   4.739  -5.170
  542    HB   ILE  72           HB       ILE  72   0.308   4.240  -2.872
  543   HG12  ILE  72          HG13      ILE  72  -0.090   2.712  -5.465
  544   HG13  ILE  72          HG12      ILE  72   1.247   3.821  -5.158
  545   HG21  ILE  72          HG21      ILE  72  -0.919   2.105  -2.674
  546   HG22  ILE  72          HG22      ILE  72  -2.021   2.630  -3.947
  547   HG23  ILE  72          HG23      ILE  72  -1.980   3.487  -2.407
  548   HD11  ILE  72          HD11      ILE  72   0.630   1.233  -3.718
  549   HD12  ILE  72          HD12      ILE  72   1.788   2.415  -3.108
  550   HD13  ILE  72          HD13      ILE  72   2.068   1.625  -4.660
  551    H    ASP  73           H        ASP  73  -0.225   6.791  -2.637
  552    HA   ASP  73           HA       ASP  73  -2.387   6.776  -0.820
  553    HB2  ASP  73           HB3      ASP  73  -0.142   7.833  -0.431
  554    HB3  ASP  73           HB2      ASP  73  -0.634   9.154  -1.491
  555    H    ALA  74           H        ALA  74  -1.887   8.759  -3.733
  556    HA   ALA  74           HA       ALA  74  -4.178  10.432  -3.326
  557    HB1  ALA  74           HB1      ALA  74  -2.128  10.308  -5.182
  558    HB2  ALA  74           HB2      ALA  74  -3.510  11.401  -5.261
  559    HB3  ALA  74           HB3      ALA  74  -3.547   9.868  -6.133
  560    H    PHE  75           H        PHE  75  -3.763   7.346  -5.047
  561    HA   PHE  75           HA       PHE  75  -6.403   7.237  -6.131
  562    HB2  PHE  75           HB3      PHE  75  -4.546   5.725  -6.808
  563    HB3  PHE  75           HB2      PHE  75  -4.678   4.917  -5.248
  564    HD1  PHE  75           HD2      PHE  75  -6.422   5.620  -8.439
  565    HD2  PHE  75           HD1      PHE  75  -6.483   3.398  -4.763
  566    HE1  PHE  75           HE2      PHE  75  -8.257   4.207  -9.324
  567    HE2  PHE  75           HE1      PHE  75  -8.318   1.984  -5.649
  568    HZ   PHE  75           HZ       PHE  75  -9.205   2.389  -7.929
  569    H    VAL  76           H        VAL  76  -5.094   5.870  -3.094
  570    HA   VAL  76           HA       VAL  76  -7.617   4.852  -2.193
  571    HB   VAL  76           HB       VAL  76  -5.080   5.610  -0.724
  572   HG11  VAL  76          HG11      VAL  76  -6.746   5.760   0.938
  573   HG12  VAL  76          HG12      VAL  76  -6.164   4.101   1.074
  574   HG13  VAL  76          HG13      VAL  76  -7.682   4.438   0.243
  575   HG21  VAL  76          HG21      VAL  76  -5.294   3.620  -2.422
  576   HG22  VAL  76          HG22      VAL  76  -6.209   2.848  -1.127
  577   HG23  VAL  76          HG23      VAL  76  -4.535   3.332  -0.856
  578    H    VAL  77           H        VAL  77  -5.869   7.897  -1.449
  579    HA   VAL  77           HA       VAL  77  -7.827   8.924   0.346
  580    HB   VAL  77           HB       VAL  77  -5.785  10.250  -1.444
  581   HG11  VAL  77          HG11      VAL  77  -7.327  11.983  -1.245
  582   HG12  VAL  77          HG12      VAL  77  -6.337  12.231   0.194
  583   HG13  VAL  77          HG13      VAL  77  -7.901  11.426   0.326
  584   HG21  VAL  77          HG21      VAL  77  -5.235   8.843   0.684
  585   HG22  VAL  77          HG22      VAL  77  -5.898  10.217   1.571
  586   HG23  VAL  77          HG23      VAL  77  -4.497  10.437   0.522
  587    H    GLY  78           H        GLY  78  -7.512   9.115  -3.177
  588    HA2  GLY  78           HA3      GLY  78  -9.564  10.998  -3.681
  589    HA3  GLY  78           HA2      GLY  78  -9.083   9.726  -4.804
  590    H    ALA  79           H        ALA  79  -9.757   7.545  -2.924
  591    HA   ALA  79           HA       ALA  79 -12.713   7.686  -3.269
  592    HB1  ALA  79           HB1      ALA  79 -11.681   5.828  -4.438
  593    HB2  ALA  79           HB2      ALA  79 -12.604   5.193  -3.076
  594    HB3  ALA  79           HB3      ALA  79 -10.848   5.322  -2.969
  595    H    THR  80           H        THR  80 -10.300   6.455  -0.933
  596    HA   THR  80           HA       THR  80 -11.918   7.458   1.285
  597    HB   THR  80           HB       THR  80 -12.972   5.236   0.620
  598    HG1  THR  80           HG1      THR  80 -12.938   6.235   2.781
  599   HG21  THR  80          HG21      THR  80 -11.769   3.311   0.608
  600   HG22  THR  80          HG22      THR  80 -10.832   3.777   2.028
  601   HG23  THR  80          HG23      THR  80 -10.379   4.382   0.435
  602    H    THR  81           H        THR  81 -10.724   7.487   3.253
  603    HA   THR  81           HA       THR  81  -7.917   6.493   3.070
  604    HB   THR  81           HB       THR  81  -7.766   8.850   2.664
  605    HG1  THR  81           HG1      THR  81  -6.231   8.294   4.111
  606   HG21  THR  81          HG21      THR  81 -10.035   8.907   4.507
  607   HG22  THR  81          HG22      THR  81  -9.570  10.066   3.263
  608   HG23  THR  81          HG23      THR  81  -8.840  10.153   4.866
  609    HA   PRO  82           HA       PRO  82  -9.723   5.151   7.066
  610    HB2  PRO  82           HB2      PRO  82  -9.258   2.523   6.829
  611    HB3  PRO  82           HB3      PRO  82 -10.584   3.308   5.949
  612    HG2  PRO  82           HG3      PRO  82  -7.962   2.355   4.954
  613    HG3  PRO  82           HG2      PRO  82  -9.527   2.431   4.130
  614    HD2  PRO  82           HD3      PRO  82  -7.398   4.309   3.908
  615    HD3  PRO  82           HD2      PRO  82  -9.043   4.483   3.258
  616    HA   PRO  83           HA       PRO  83  -5.406   5.035   8.610
  617    HB2  PRO  83           HB2      PRO  83  -5.897   6.132  11.050
  618    HB3  PRO  83           HB3      PRO  83  -5.744   7.105   9.575
  619    HG2  PRO  83           HG3      PRO  83  -8.169   6.319  11.079
  620    HG3  PRO  83           HG2      PRO  83  -7.832   7.795  10.162
  621    HD2  PRO  83           HD3      PRO  83  -9.376   5.646   9.253
  622    HD3  PRO  83           HD2      PRO  83  -8.671   6.912   8.226
  623    H    VAL  84           H        VAL  84  -4.429   3.368   9.749
  624    HA   VAL  84           HA       VAL  84  -6.086   1.882  11.739
  625    HB   VAL  84           HB       VAL  84  -6.080   0.690   9.537
  626   HG11  VAL  84          HG11      VAL  84  -4.174   0.292   8.382
  627   HG12  VAL  84          HG12      VAL  84  -3.290  -0.182   9.833
  628   HG13  VAL  84          HG13      VAL  84  -3.453   1.524   9.417
  629   HG21  VAL  84          HG21      VAL  84  -4.660  -0.556  11.903
  630   HG22  VAL  84          HG22      VAL  84  -5.158  -1.492  10.495
  631   HG23  VAL  84          HG23      VAL  84  -6.368  -0.675  11.484
  632    H    GLU  85           H        GLU  85  -4.933   1.167  13.531
  633    HA   GLU  85           HA       GLU  85  -2.439   2.436  14.130
  634    HB2  GLU  85           HB3      GLU  85  -3.811   0.074  15.445
  635    HB3  GLU  85           HB2      GLU  85  -2.428   0.932  16.125
  636    HG2  GLU  85           HG3      GLU  85  -3.745   3.040  16.086
  637    HG3  GLU  85           HG2      GLU  85  -5.135   2.138  15.481
  638    H    ALA  86           H        ALA  86  -3.226  -0.785  12.886
  639    HA   ALA  86           HA       ALA  86  -0.340  -1.140  12.269
  640    HB1  ALA  86           HB1      ALA  86  -0.058  -2.938  13.607
  641    HB2  ALA  86           HB2      ALA  86  -1.588  -3.647  13.091
  642    HB3  ALA  86           HB3      ALA  86  -1.561  -2.463  14.398
  643    H    LYS  87           H        LYS  87   0.021  -2.664  10.518
  644    HA   LYS  87           HA       LYS  87  -1.868  -2.499   8.409
  645    HB2  LYS  87           HB3      LYS  87   0.591  -2.999   8.158
  646    HB3  LYS  87           HB2      LYS  87   0.259  -4.635   8.729
  647    HG2  LYS  87           HG3      LYS  87  -1.365  -4.926   6.864
  648    HG3  LYS  87           HG2      LYS  87  -0.937  -3.321   6.272
  649    HD2  LYS  87           HD3      LYS  87   1.474  -4.123   6.173
  650    HD3  LYS  87           HD2      LYS  87   0.859  -5.749   6.471
  651    HE2  LYS  87           HE3      LYS  87   0.643  -4.062   4.035
  652    HE3  LYS  87           HE2      LYS  87   0.755  -5.816   4.184
  653    HZ1  LYS  87           HZ1      LYS  87  -1.487  -6.022   4.551
  654    HZ2  LYS  87           HZ2      LYS  87  -1.460  -4.731   3.452
  655    HZ3  LYS  87           HZ3      LYS  87  -1.667  -4.429   5.111
  656    H    LEU  88           H        LEU  88  -1.323  -5.018  10.840
  657    HA   LEU  88           HA       LEU  88  -3.498  -6.653   9.665
  658    HB2  LEU  88           HB3      LEU  88  -1.783  -7.198  12.107
  659    HB3  LEU  88           HB2      LEU  88  -2.836  -8.349  11.284
  660    HG   LEU  88           HG       LEU  88  -0.375  -7.016  10.119
  661   HD11  LEU  88          HD11      LEU  88  -0.329  -9.069  11.802
  662   HD12  LEU  88          HD12      LEU  88   0.711  -9.049  10.378
  663   HD13  LEU  88          HD13      LEU  88  -0.792  -9.972  10.359
  664   HD21  LEU  88          HD21      LEU  88  -0.967  -8.825   8.283
  665   HD22  LEU  88          HD22      LEU  88  -1.753  -7.246   8.253
  666   HD23  LEU  88          HD23      LEU  88  -2.599  -8.640   8.924
  667    H    GLN  89           H        GLN  89  -5.480  -6.959  10.700
  668    HA   GLN  89           HA       GLN  89  -6.679  -4.957  12.176
  669    HB2  GLN  89           HB3      GLN  89  -7.173  -7.940  12.431
  670    HB3  GLN  89           HB2      GLN  89  -8.267  -6.688  13.021
  671    HG2  GLN  89           HG3      GLN  89  -8.520  -5.805  10.744
  672    HG3  GLN  89           HG2      GLN  89  -7.389  -7.014  10.137
  673   HE21  GLN  89          HE22      GLN  89 -10.058  -6.922   9.144
  674   HE22  GLN  89          HE21      GLN  89 -10.884  -8.307   9.675
  675    H1   PN7 101           3HO      SAT  38   0.993  -6.417  -9.116
  676    H2   PN7 101           1H1      SAT  38   2.542  -7.679 -11.935
  677    H3   PN7 101           2H1      SAT  38   4.178  -7.155 -12.333
  678    H5   PN7 101          3HE1      SAT  38   1.920  -4.239 -12.941
  679    H6   PN7 101          1HE1      SAT  38   1.897  -5.926 -13.460
  680    H7   PN7 101          2HE1      SAT  38   3.379  -4.981 -13.597
  681    H8   PN7 101          2HE2      SAT  38   4.397  -5.053 -10.143
  682    H9   PN7 101          3HE2      SAT  38   3.711  -3.683 -11.016
  683    H10  PN7 101          1HE2      SAT  38   4.870  -4.747 -11.814
  684    H11  PN7 101           3H       SAT  38   1.737  -4.474 -10.181
  685    H12  PN7 101           5H       SAT  38  -0.462  -3.835 -11.507
  686    H13  PN7 101           2H6      SAT  38  -2.151  -4.234  -9.916
  687    H14  PN7 101           1H6      SAT  38  -1.285  -5.694  -9.440
  688    H15  PN7 101           1H7      SAT  38  -2.259  -6.252 -12.008
  689    H16  PN7 101           2H7      SAT  38  -3.584  -5.415 -11.199
  690    H17  PN7 101           9H       SAT  38  -1.337  -8.170 -10.859
  691    H18  PN7 101          2H10      SAT  38  -3.095  -9.265  -8.720
  692    H19  PN7 101          1H10      SAT  38  -1.411  -8.907  -8.337
  693    H20  PN7 101          1H11      SAT  38  -1.138 -11.107  -8.940
  694    H21  PN7 101          2H11      SAT  38  -1.043 -10.400 -10.553
  695    H22  PN7 101          2HS1      SAT  38  -3.134 -12.326  -9.735