*HEADER   NUCLEOTIDYLTRANSFERASE (DNA-BINDING)    25-APR-96   1BNO    
*TITLE    NMR SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF DNA      
*TITLE   2 POLYMERASE BETA, MINIMIZED AVERAGE STRUCTURE               
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: DNA POLYMERASE BETA;                             
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: N-TERMINAL DOMAIN, RESIDUES 1 - 87;              
*COMPND  5 EC: 2.7.7.7;                                               
*COMPND  6 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                    
*SOURCE  3 ORGANISM_COMMON: RAT;                                      
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  5 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                       
*SOURCE  6 EXPRESSION_SYSTEM_PLASMID: PRSET-8K                        
*KEYWDS   N-TERMINAL DOMAIN, DNA POLYMERASE BETA, SINGLE-STRANDED     
*KEYWDS  2 DNA-BINDING, NUCLEOTIDYLTRANSFERASE                        
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   D.-J.LIU,R.PRASAD,S.H.WILSON,E.F.DEROSE,G.P.MULLEN          
*REVDAT  1   07-DEC-96 1BNO    0                                      


remarks deposit_mullen (Gregory P. Mullen: gmullen@panda.uchc.edu)
remarks file bnp.noe
remarks see Liu, Prasad, Wilson, DeRose, and Mullen for details
remarks   NOE classification:
remarks !strong=1.8-2.7   2.5 0.7 0.2
remarks !medium=1.8-4.0   3.0 1.2 1.0
remarks !weak=  1.8-5.0   4.0 2.2 1.0
remarks 0.5 A added to upper limits of distances involving methyl groups
remarks pseudoatoms  corrected a la Wuthrich
set message=on echo=on end
!K5
assign (resid    5 and  name HN   )(resid    6 and  name HN   ) 4.0 2.2 1.0
assign (resid    5 and  name HB#  )(resid    5 and  name HN   ) 3.0 1.8 1.6 
assign (resid    5 and  name HA   )(resid    5 and  name HN   ) 3.0 1.2 1.0
assign (resid    5 and  name HA   )(resid    5 and  name HB#  ) 2.5 1.7 1.2
!A6 
assign (resid    5 and  name HB#  )(resid    6 and  name HN   ) 3.0 2.2 2.0
assign (resid    6 and  name HA   )(resid    6 and  name HB#  ) 2.5 2.2 1.7
assign (resid    6 and  name HA   )(resid    6 and  name HN   ) 3.0 1.2 1.0
assign (resid    6 and  name HB#  )(resid    6 and  name HN   ) 2.5 1.7 1.3
!P7
assign (resid    7 and  name HA   )(resid    7 and  name HB#  ) 2.5 0.7 0.2
assign (resid    7 and  name HA   )(resid    7 and  name HD#  ) 3.0 1.2 1.0
assign (resid    7 and  name HB#  )(resid    7 and  name HD#  ) 3.0 1.2 1.0
assign (resid    7 and  name HB#  )(resid    7 and  name HG#  ) 2.5 0.7 0.2
assign (resid    7 and  name HD#  )(resid    7 and  name HG#  ) 2.5 0.7 0.2
assign (resid    7 and  name HD#  )(resid    6 and  name HA   ) 2.5 0.7 0.2
!Q8
assign (resid    8 and  name HA   )(resid    8 and  name HN   ) 3.0 1.2 1.0
assign (resid    8 and  name HA   )(resid    8 and  name HB1  ) 3.0 1.2 1.0
assign (resid    8 and  name HA   )(resid    8 and  name HB2  ) 3.0 1.2 1.0
assign (resid    8 and  name HA   )(resid    8 and  name HG#  ) 3.0 1.8 1.6
assign (resid    8 and  name HB#  )(resid    8 and  name HN   ) 3.0 1.8 1.6
assign (resid    8 and  name HB#  )(resid    8 and  name HG#  ) 3.0 3.2 3.0
assign (resid    8 and  name HG#  )(resid    8 and  name HN   ) 4.0 3.2 2.0
assign (resid    8 and  name HB#  )(resid    9 and  name HN   ) 3.0 2.2 2.0
assign (resid    8 and  name HG#  )(resid    9 and  name HN   ) 4.0 3.2 2.0
assign (resid    8 and  name HE#  )(resid    8 and  name HG#  ) 3.0 3.2 3.0
!E9
assign (resid    9 and  name HA   )(resid    9 and  name HN   ) 3.0 1.2 1.0
assign (resid    9 and  name HA   )(resid    9 and  name HB#  ) 3.0 2.2 2.0
assign (resid    9 and  name HA   )(resid    9 and  name HG#  ) 3.0 1.8 1.6
assign (resid    9 and  name HB#  )(resid    9 and  name HN   ) 3.0 1.8 1.6
assign (resid    9 and  name HB#  )(resid    9 and  name HG#  ) 2.5 2.7 2.2
assign (resid    9 and  name HG#  )(resid    9 and  name HN   ) 4.0 4.2 2.0
assign (resid    9 and  name HB#  )(resid   10 and  name HN   ) 3.0 2.2 2.0
assign (resid    9 and  name HG#  )(resid   10 and  name HN   ) 4.0 3.2 2.0
!T10
assign (resid   10 and  name HB   )(resid   10 and  name HN   ) 4.0 2.2 1.0
assign (resid   10 and  name HA   )(resid   10 and  name HN   ) 3.0 1.2 1.0
assign (resid   10 and  name HG2# )(resid   10 and  name HN   ) 3.0 2.7 2.5
assign (resid   10 and  name HA   )(resid   10 and  name HB   ) 2.5 0.7 0.2
assign (resid   10 and  name HG2# )(resid   11 and  name HN   ) 3.0 2.7 2.5
!L11
assign (resid   11 and  name HA   )(resid   12 and  name HN   ) 4.0 2.2 1.0
assign (resid   11 and  name HB#  )(resid   12 and  name HN   ) 4.0 3.2 2.0
assign (resid   11 and  name HA   )(resid   11 and  name HN   ) 3.0 1.2 1.0
assign (resid   11 and  name HA   )(resid   11 and  name HB#  ) 4.0 3.2 2.0
assign (resid   11 and  name HA   )(resid   11 and  name HD## ) 4.0 4.4 3.2
assign (resid   11 and  name HB#  )(resid   11 and  name HD## ) 4.0 4.4 3.2
assign (resid   11 and  name HB#  )(resid   11 and  name HN   ) 3.0 1.8 1.6
assign (resid   11 and  name HD## )(resid   11 and  name HN   ) 4.0 5.0 3.8
!N12
assign (resid   12 and  name HB1  )(resid   12 and  name HN   ) 4.0 2.2 1.0
assign (resid   12 and  name HB2  )(resid   12 and  name HN   ) 4.0 2.2 1.0
assign (resid   12 and  name HA   )(resid   12 and  name HN   ) 3.0 1.2 1.0
assign (resid   12 and  name HB#  )(resid   12 and  name HD## ) 3.0 4.2 4.0 
assign (resid   12 and  name HA   )(resid   12 and  name HB#  ) 2.5 1.7 1.2
assign (resid   12 and  name HN   )(resid   12 and  name HD## ) 4.0 3.2 2.0 
!G13
assign (resid   13 and  name HA#  )(resid   14 and  name HN   ) 4.0 3.2 2.0
assign (resid   13 and  name HA#  )(resid   13 and  name HN   ) 3.0 2.2 2.0
assign (resid   13 and  name HA#  )(resid   16 and  name HG2# ) 4.0 4.7 3.5
assign (resid   13 and  name HN   )(resid   53 and  name HN   ) 4.0 2.2 1.0
!G14
assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 4.0 2.2 1.0
assign (resid   14 and  name HA#  )(resid   15 and  name HN   ) 4.0 3.2 2.0
assign (resid   14 and  name HA#  )(resid   14 and  name HN   ) 3.0 2.2 2.0 
assign (resid   14 and  name HN   )(resid   15 and  name HB   ) 4.0 2.2 1.0
assign (resid   14 and  name HN   )(resid   15 and  name HG2# ) 4.0 3.7 2.5 
!I15
assign (resid   15 and  name HN   )(resid   73 and  name HD1# ) 4.0 3.7 3.5
assign (resid   15 and  name HG2# )(resid   47 and  name HB#  ) 4.0 5.2 4.0
assign (resid   15 and  name HD1# )(resid   76 and  name HE#  ) 4.0 5.7 4.5
assign (resid   15 and  name HD1# )(resid   76 and  name HD#  ) 4.0 5.7 4.5
assign (resid   15 and  name HB   )(resid   76 and  name HE#  ) 4.0 4.2 3.0
assign (resid   15 and  name HB   )(resid   76 and  name HD#  ) 4.0 4.2 3.0
assign (resid   15 and  name HD1# )(resid   77 and  name HD1# ) 4.0 4.7 4.5
assign (resid   15 and  name HG2# )(resid   43 and  name HA   ) 4.0 3.7 2.5
assign (resid   15 and  name HG2# )(resid   19 and  name HA   ) 4.0 3.7 2.5 
assign (resid   15 and  name HA   )(resid   73 and  name HD1# ) 4.0 3.7 2.5
assign (resid   15 and  name HG2# )(resid   16 and  name HB   ) 4.0 3.7 2.5
assign (resid   15 and  name HD1# )(resid   16 and  name HB   ) 4.0 3.7 2.5
assign (resid   15 and  name HA   )(resid   46 and  name HG1# ) 4.0 3.2 2.0
assign (resid   16 and  name HN   )(resid   15 and  name HA   ) 3.0 1.2 1.0
assign (resid   16 and  name HN   )(resid   15 and  name HB   ) 4.0 2.2 1.0
assign (resid   16 and  name HN   )(resid   15 and  name HD1# ) 4.0 3.7 2.5
assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 3.0 1.2 1.0
assign (resid   15 and  name HN   )(resid   17 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HN   )(resid   15 and  name HG2# ) 4.0 3.7 2.5
assign (resid   15 and  name HB   )(resid   15 and  name HD1# ) 4.0 3.7 2.5
assign (resid   15 and  name HG1# )(resid   15 and  name HG2# ) 3.0 2.8 2.6 
assign (resid   15 and  name HG1# )(resid   15 and  name HD1# ) 3.0 2.8 2.6 
assign (resid   15 and  name HG2# )(resid   15 and  name HD1# ) 3.0 3.2 3.0 
assign (resid   15 and  name HN   )(resid   15 and  name HA   ) 4.0 2.2 1.0
assign (resid   15 and  name HN   )(resid   15 and  name HB   ) 3.0 1.2 1.0
assign (resid   15 and  name HN   )(resid   15 and  name HG1# ) 4.0 3.2 2.0
assign (resid   15 and  name HN   )(resid   15 and  name HG2# ) 4.0 3.7 2.5
assign (resid   15 and  name HN   )(resid   15 and  name HD1# ) 4.0 3.7 2.5
assign (resid   15 and  name HA   )(resid   15 and  name HB   ) 3.0 1.2 1.0
assign (resid   15 and  name HA   )(resid   15 and  name HG1# ) 4.0 2.8 1.6
assign (resid   15 and  name HA   )(resid   15 and  name HG2# ) 4.0 2.3 2.1
assign (resid   15 and  name HB   )(resid   15 and  name HG1# ) 4.0 2.8 1.6
assign (resid   15 and  name HB   )(resid   15 and  name HG2# ) 4.0 3.7 2.5
!T16
assign (resid   16 and  name HB   )(resid   43 and  name HB#  ) 3.0 2.7 2.5
assign (resid   16 and  name HA   )(resid   43 and  name HB#  ) 4.0 3.7 2.5
assign (resid   16 and  name HA   )(resid   47 and  name HB#  ) 4.0 3.7 2.5
assign (resid   16 and  name HA   )(resid   46 and  name HG2# ) 4.0 3.7 2.5
assign (resid   16 and  name HA   )(resid   46 and  name HD1# ) 4.0 3.7 2.5
assign (resid   16 and  name HA   )(resid   15 and  name HD1# ) 4.0 3.7 2.5
assign (resid   16 and  name HA   )(resid   15 and  name HB   ) 4.0 2.2 1.0
assign (resid   16 and  name HB   )(resid   47 and  name HB#  ) 4.0 3.7 2.5
assign (resid   16 and  name HG2# )(resid   15 and  name HB   ) 4.0 3.7 2.5
assign (resid   16 and  name HG2# )(resid   20 and  name HG## ) 4.0 6.6 5.4 
assign (resid   16 and  name HN   )(resid   17 and  name HN   ) 3.0 1.2 0.2
assign (resid   16 and  name HA   )(resid   17 and  name HN   ) 4.0 2.2 1.0
assign (resid   16 and  name HB   )(resid   17 and  name HN   ) 4.0 2.2 1.0 
assign (resid   16 and  name HN   )(resid   16 and  name HA   ) 4.0 2.2 1.0
assign (resid   16 and  name HN   )(resid   16 and  name HB   ) 4.0 2.2 1.0
assign (resid   16 and  name HN   )(resid   16 and  name HG2# ) 4.0 4.7 3.5
assign (resid   16 and  name HA   )(resid   16 and  name HB   ) 3.0 1.2 1.0
assign (resid   16 and  name HA   )(resid   16 and  name HG2# ) 3.0 2.3 2.1
assign (resid   16 and  name HB   )(resid   16 and  name HG2# ) 3.0 2.3 2.1
!D17
assign (resid   17 and  name HA   )(resid   20 and  name HB   ) 4.0 2.2 1.0
assign (resid   17 and  name HA   )(resid   20 and  name HG2# ) 4.0 3.2 2.0
assign (resid   17 and  name HN   )(resid   16 and  name HG2# ) 4.0 3.7 2.5
assign (resid   17 and  name HN   )(resid   18 and  name HN   ) 3.0 1.2 1.0
assign (resid   17 and  name HN   )(resid   20 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HN   )(resid   19 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HB#  )(resid   18 and  name HN   ) 4.0 3.2 2.0 
assign (resid   17 and  name HA   )(resid   17 and  name HB#  ) 3.0 2.2 2.0
assign (resid   17 and  name HA   )(resid   17 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HB#  )(resid   17 and  name HN   ) 3.0 2.2 2.0
!M18
assign (resid   18 and  name HA   )(resid   21 and  name HB#  ) 4.0 3.2 2.0
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 3.0 1.2 1.0
assign (resid   18 and  name HA   )(resid   19 and  name HN   ) 4.0 2.2 1.0
assign (resid   18 and  name HA   )(resid   21 and  name HN   ) 4.0 2.2 1.0
assign (resid   18 and  name HN   )(resid   20 and  name HN   ) 4.0 2.2 1.0
assign (resid   18 and  name HB#  )(resid   19 and  name HN   ) 4.0 3.2 2.0
assign (resid   18 and  name HB#  )(resid   18 and  name HN   ) 4.0 2.8 1.6
assign (resid   18 and  name HA   )(resid   18 and  name HN   ) 4.0 2.2 1.0
assign (resid   18 and  name HA   )(resid   18 and  name HB#  ) 3.0 2.2 2.0
assign (resid   18 and  name HE#  )(resid   76 and  name HE#  ) 4.0 6.1 4.9
assign (resid   18 and  name HG#  )(resid   76 and  name HE#  ) 4.0 6.1 4.9
!L19
assign (resid   19 and  name HN   )(resid   20 and  name HG1# ) 4.0 3.7 2.5
assign (resid   19 and  name HN   )(resid   20 and  name HG2# ) 4.0 3.7 2.5
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 3.0 1.2 1.0
assign (resid   19 and  name HN   )(resid   21 and  name HN   ) 4.0 2.2 1.0
assign (resid   19 and  name HD2# )(resid   38 and  name HB#  ) 4.0 5.2 4.0
assign (resid   19 and  name HA   )(resid   22 and  name HB#  ) 4.0 3.2 2.0
assign (resid   19 and  name HA   )(resid   43 and  name HB#  ) 4.0 3.7 2.5
assign (resid   19 and  name HD## )(resid   16 and  name HA   ) 4.0 5.1 3.9 
assign (resid   19 and  name HD## )(resid   39 and  name HB2  ) 4.0 5.1 3.9
assign (resid   19 and  name HD## )(resid   39 and  name HB1  ) 4.0 5.1 3.9
assign (resid   19 and  name HD1# )(resid   39 and  name HE#  ) 4.0 6.1 4.9
assign (resid   19 and  name HD2# )(resid   39 and  name HD#  ) 4.0 6.1 4.9
assign (resid   19 and  name HA   )(resid   19 and  name HB#  ) 3.0 2.2 2.0
assign (resid   19 and  name HA   )(resid   19 and  name HG#  ) 4.0 3.2 2.0 
assign (resid   19 and  name HA   )(resid   19 and  name HD2# ) 4.0 3.2 2.0
assign (resid   19 and  name HB#  )(resid   19 and  name HG#  ) 4.0 3.2 2.0 
assign (resid   19 and  name HB#  )(resid   19 and  name HD1# ) 4.0 4.3 3.1
assign (resid   19 and  name HB#  )(resid   19 and  name HD2# ) 4.0 4.3 3.1
assign (resid   19 and  name HG#  )(resid   19 and  name HD1# ) 4.0 4.2 3.0
assign (resid   19 and  name HG#  )(resid   19 and  name HD2# ) 4.0 4.2 3.0
assign (resid   19 and  name HN   )(resid   19 and  name HA   ) 4.0 2.2 1.0
assign (resid   19 and  name HN   )(resid   19 and  name HD1# ) 4.0 3.7 2.5
assign (resid   19 and  name HN   )(resid   19 and  name HD2# ) 4.0 3.7 2.5
assign (resid   19 and  name HN   )(resid   19 and  name HB#  ) 4.0 2.8 1.6
!V20
assign (resid   20 and  name HN   )(resid   21 and  name HN   ) 3.0 1.2 1.0
assign (resid   20 and  name HA   )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   20 and  name HN   )(resid   22 and  name HN   ) 4.0 2.2 1.0
assign (resid   20 and  name HN   )(resid   17 and  name HA   ) 4.0 2.2 1.0
assign (resid   20 and  name HN   )(resid   19 and  name HD1# ) 4.0 3.7 2.5
assign (resid   20 and  name HN   )(resid   19 and  name HD2# ) 4.0 3.7 2.5
assign (resid   20 and  name HN   )(resid   19 and  name HA   ) 4.0 2.2 1.0
assign (resid   20 and  name HG2# )(resid   43 and  name HA   ) 4.0 3.7 2.5
assign (resid   20 and  name HG2# )(resid   23 and  name HB#  ) 4.0 5.2 4.0
assign (resid   20 and  name HA   )(resid   23 and  name HB#  ) 4.0 3.7 2.5
assign (resid   20 and  name HG2# )(resid   40 and  name HD#  ) 4.0 2.2 3.0
assign (resid   20 and  name HA   )(resid   20 and  name HB   ) 3.0 1.2 1.0
assign (resid   20 and  name HA   )(resid   20 and  name HG1# ) 4.0 3.7 2.5
assign (resid   20 and  name HA   )(resid   20 and  name HG2# ) 4.0 3.7 2.5
assign (resid   20 and  name HA   )(resid   20 and  name HN   ) 4.0 2.2 1.0
assign (resid   20 and  name HB   )(resid   20 and  name HN   ) 4.0 2.2 1.0
assign (resid   20 and  name HG1# )(resid   20 and  name HN   ) 4.0 3.2 2.0
assign (resid   20 and  name HG2# )(resid   20 and  name HN   ) 4.0 3.2 2.0
!E21
assign (resid   21 and  name HA   )(resid   24 and  name HB2  ) 4.0 2.2 1.0
assign (resid   21 and  name HA   )(resid   24 and  name HB1  ) 4.0 2.2 1.0
assign (resid   21 and  name HA   )(resid   20 and  name HG1# ) 4.0 3.7 2.5
assign (resid   20 and  name HG1# )(resid   21 and  name HN   ) 4.0 3.7 2.5
assign (resid   20 and  name HG2# )(resid   21 and  name HN   ) 4.0 3.7 2.5
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 3.0 1.2 1.0
assign (resid   21 and  name HA   )(resid   22 and  name HN   ) 4.0 2.2 1.0
assign (resid   21 and  name HA   )(resid   24 and  name HN   ) 4.0 2.2 1.0
assign (resid   21 and  name HA   )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   21 and  name HN   )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   21 and  name HA   )(resid   24 and  name HB#  ) 4.0 3.2 2.0
assign (resid   20 and  name HB   )(resid   21 and  name HN   ) 4.0 2.2 1.0 
assign (resid   21 and  name HB#  )(resid   22 and  name HN   ) 4.0 3.2 2.0
assign (resid   21 and  name HB#  )(resid   21 and  name HN   ) 3.0 1.8 1.6
assign (resid   21 and  name HA   )(resid   21 and  name HN   ) 4.0 2.2 1.0
assign (resid   21 and  name HA   )(resid   21 and  name HB#  ) 3.0 2.2 2.0
assign (resid   21 and  name HA   )(resid   21 and  name HG#  ) 4.0 2.8 1.6
!L22
assign (resid   22 and  name HA   )(resid   25 and  name HB2  ) 4.0 2.2 1.0
assign (resid   22 and  name HD1# )(resid   19 and  name HA   ) 4.0 3.7 2.2
assign (resid   22 and  name HD2# )(resid   25 and  name HB2  ) 4.0 5.1 3.5
assign (resid   22 and  name HD2# )(resid   25 and  name HB1  ) 4.0 5.1 3.5
assign (resid   22 and  name HD1# )(resid   25 and  name HB2  ) 4.0 5.1 3.5
assign (resid   22 and  name HD1# )(resid   25 and  name HB1  ) 4.0 5.1 3.5
assign (resid   22 and  name HD1# )(resid   39 and  name HD#  ) 4.0 6.1 4.9
assign (resid   22 and  name HD2# )(resid   39 and  name HD#  ) 4.0 6.1 4.9
assign (resid   22 and  name HD1# )(resid   25 and  name HE#  ) 4.0 6.1 4.9
assign (resid   22 and  name HD2# )(resid   25 and  name HE#  ) 4.0 6.1 4.9
assign (resid   38 and  name HB#  )(resid   22 and  name HD1# ) 4.0 5.2 4.0
assign (resid   38 and  name HB#  )(resid   22 and  name HD2# ) 4.0 5.2 4.0
assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 3.0 1.2 1.0
assign (resid   22 and  name HA   )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   22 and  name HN   )(resid   24 and  name HN   ) 4.0 2.2 1.0
assign (resid   22 and  name HB#  )(resid   23 and  name HN   ) 4.0 3.2 2.0
assign (resid   22 and  name HB#  )(resid   22 and  name HN   ) 3.0 1.8 1.6
assign (resid   22 and  name HA   )(resid   22 and  name HN   ) 4.0 2.2 1.0
assign (resid   22 and  name HD## )(resid   22 and  name HN   ) 4.0 3.9 2.7
assign (resid   22 and  name HA   )(resid   22 and  name HB#  ) 4.0 3.2 2.0
assign (resid   22 and  name HA   )(resid   22 and  name HG   ) 4.0 2.2 1.5
assign (resid   22 and  name HA   )(resid   22 and  name HD## ) 4.0 4.6 3.4
assign (resid   22 and  name HB#  )(resid   22 and  name HG   ) 4.0 3.2 2.0
assign (resid   22 and  name HB#  )(resid   22 and  name HD1# ) 4.0 4.3 3.1
assign (resid   22 and  name HB#  )(resid   22 and  name HD2# ) 4.0 4.3 3.1
assign (resid   22 and  name HG   )(resid   22 and  name HD1# ) 4.0 3.7 2.5
assign (resid   22 and  name HG   )(resid   22 and  name HD2# ) 4.0 3.7 2.5
!A23
assign (resid   23 and  name HB#  )(resid   39 and  name HB2  ) 4.0 3.7 2.5
assign (resid   23 and  name HB#  )(resid   39 and  name HB1  ) 4.0 3.7 2.5
assign (resid   23 and  name HB#  )(resid   36 and  name HE#  ) 4.0 5.7 4.5
assign (resid   23 and  name HB#  )(resid   36 and  name HD#  ) 4.0 5.7 4.5
assign (resid   29 and  name HB   )(resid   23 and  name HB#  ) 4.0 3.7 2.5
assign (resid   36 and  name HA   )(resid   23 and  name HB#  ) 4.0 3.7 2.5
assign (resid   20 and  name HG2# )(resid   23 and  name HN   ) 4.0 3.2 2.5
assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 3.0 1.2 1.0
assign (resid   23 and  name HN   )(resid   24 and  name HN   ) 3.0 1.2 1.0
assign (resid   23 and  name HA   )(resid   24 and  name HN   ) 4.0 2.2 1.0
assign (resid   23 and  name HA   )(resid   26 and  name HN   ) 4.0 2.2 1.0
assign (resid   23 and  name HB#  )(resid   24 and  name HN   ) 4.0 3.7 2.5
assign (resid   23 and  name HB#  )(resid   20 and  name HB   ) 4.0 3.7 2.5
assign (resid   23 and  name HB#  )(resid   20 and  name HG1# ) 4.0 4.7 3.5
assign (resid   23 and  name HB#  )(resid   20 and  name HG1# ) 4.0 4.7 3.5
assign (resid   23 and  name HB#  )(resid   24 and  name HB#  ) 4.0 4.7 3.5
assign (resid   23 and  name HB#  )(resid   25 and  name HN   ) 4.0 3.7 2.5
assign (resid   23 and  name HB#  )(resid   39 and  name HN   ) 4.0 3.7 2.5
assign (resid   23 and  name HB#  )(resid   39 and  name HD#  ) 4.0 4.7 3.5
assign (resid   23 and  name HB#  )(resid   39 and  name HE#  ) 4.0 4.7 3.5
assign (resid   23 and  name HB#  )(resid   40 and  name HN   ) 4.0 3.7 2.5
assign (resid   23 and  name HA   )(resid   25 and  name HN   ) 4.0 2.2 1.0
assign (resid   23 and  name HA   )(resid   39 and  name HD#  ) 4.0 3.2 2.0
assign (resid   23 and  name HA   )(resid   39 and  name HE#  ) 4.0 3.2 2.0
assign (resid   23 and  name HA   )(resid   36 and  name HD#  ) 4.0 3.2 2.0
assign (resid   23 and  name HA   )(resid   36 and  name HE#  ) 4.0 3.2 2.0
assign (resid   23 and  name HN   )(resid   20 and  name HB   ) 4.0 2.2 2.0
assign (resid   23 and  name HN   )(resid   22 and  name HD1# ) 4.0 3.7 2.5
assign (resid   23 and  name HN   )(resid   22 and  name HD2# ) 4.0 3.7 2.5
assign (resid   23 and  name HB#  )(resid   23 and  name HN   ) 3.0 1.8 1.6
assign (resid   23 and  name HA   )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   23 and  name HA   )(resid   23 and  name HB#  ) 3.0 3.2 2.5
!N24
assign (resid   24 and  name HN   )(resid   25 and  name HN   ) 3.0 1.2 1.0
assign (resid   24 and  name HA   )(resid   25 and  name HN   ) 4.0 2.2 1.0
assign (resid   21 and  name HA   )(resid   24 and  name HN   ) 4.0 2.2 1.0
assign (resid   24 and  name HN   )(resid   26 and  name HN   ) 4.0 2.2 1.0
assign (resid   24 and  name HB#  )(resid   25 and  name HN   ) 4.0 3.2 2.0
assign (resid   24 and  name HB#  )(resid   24 and  name HN   ) 4.0 2.8 1.6
assign (resid   24 and  name HA   )(resid   24 and  name HN   ) 4.0 2.2 1.0
assign (resid   24 and  name HB#  )(resid   24 and  name HD2# ) 4.0 4.2 3.0  
!F25
assign (resid   25 and  name HA   )(resid   28 and  name HB#  ) 4.0 3.2 2.0
assign (resid   25 and  name HA   )(resid   29 and  name HB   ) 4.0 2.2 1.0
assign (resid   25 and  name HE#  )(resid   29 and  name HG1# ) 3.0 4.7 4.5
assign (resid   25 and  name HE#  )(resid   29 and  name HG2# ) 3.0 4.2 4.5
assign (resid   25 and  name HE#  )(resid   29 and  name HB   ) 4.0 4.2 3.0
assign (resid   25 and  name HD#  )(resid   29 and  name HG1# ) 4.0 5.7 4.5
assign (resid   25 and  name HD#  )(resid   29 and  name HG2# ) 4.0 5.7 4.5
assign (resid   25 and  name HD#  )(resid   29 and  name HB   ) 4.0 4.2 3.0
assign (resid   25 and  name HD#  )(resid   22 and  name HD## ) 4.0 6.6 5.4 
assign (resid   25 and  name HN   )(resid   26 and  name HN   ) 3.0 1.2 1.0
assign (resid   25 and  name HA   )(resid   26 and  name HN   ) 4.0 2.2 1.0
assign (resid   22 and  name HA   )(resid   25 and  name HN   ) 4.0 2.2 1.0
assign (resid   22 and  name HA   )(resid   25 and  name HB#  ) 4.0 3.2 2.0
assign (resid   25 and  name HB#  )(resid   26 and  name HN   ) 4.0 3.2 2.0
assign (resid   25 and  name HB#  )(resid   25 and  name HN   ) 4.0 2.8 1.6
assign (resid   25 and  name HA   )(resid   25 and  name HN   ) 4.0 2.2 1.0
assign (resid   25 and  name HN   )(resid   25 and  name HD#  ) 4.0 4.2 3.0
assign (resid   25 and  name HA   )(resid   25 and  name HB1  ) 4.0 2.2 1.0
assign (resid   25 and  name HA   )(resid   25 and  name HB2  ) 4.0 2.2 1.0
assign (resid   25 and  name HA   )(resid   25 and  name HD#  ) 3.0 3.2 3.0
assign (resid   25 and  name HB#  )(resid   25 and  name HD#  ) 3.0 3.2 3.0
!E26
assign (resid   26 and  name HB#  )(resid   26 and  name HN   ) 4.0 2.8 1.6
assign (resid   26 and  name HA   )(resid   26 and  name HN   ) 4.0 2.2 1.0
assign (resid   26 and  name HA   )(resid   26 and  name HB#  ) 3.0 1.2 1.0
assign (resid   26 and  name HA   )(resid   26 and  name HG#  ) 4.0 2.8 1.6
assign (resid   26 and  name HG#  )(resid   26 and  name HN   ) 4.0 3.2 2.0
assign (resid   26 and  name HG#  )(resid   26 and  name HB#  ) 4.0 2.8 2.6
assign (resid   26 and  name HN   )(resid   27 and  name HN   ) 4.0 2.2 1.0
!K27
assign (resid   27 and  name HB#  )(resid   27 and  name HN   ) 4.0 2.2 1.0
assign (resid   27 and  name HA   )(resid   27 and  name HN   ) 4.0 2.2 1.0
assign (resid   27 and  name HA   )(resid   27 and  name HB#  ) 3.0 2.2 2.0 
assign (resid   27 and  name HA   )(resid   27 and  name HG#  ) 4.0 2.8 1.6 
assign (resid   27 and  name HB#  )(resid   27 and  name HG#  ) 3.0 2.8 2.6
assign (resid   27 and  name HB#  )(resid   27 and  name HD#  ) 4.0 3.8 2.6
assign (resid   27 and  name HG#  )(resid   27 and  name HD#  ) 4.0 3.8 2.6
assign (resid   27 and  name HG#  )(resid   27 and  name HE#  ) 4.0 3.8 2.6
assign (resid   27 and  name HD#  )(resid   27 and  name HE#  ) 3.0 2.8 3.0
assign (resid   27 and  name HN   )(resid   28 and  name HN   ) 4.0 2.2 1.0
assign (resid   27 and  name HA   )(resid   28 and  name HN   ) 4.0 2.2 1.0
assign (resid   27 and  name HN   )(resid   25 and  name HE#  ) 4.0 3.2 3.0
!N28
assign (resid   28 and  name HA   )(resid   28 and  name HN   ) 4.0 2.2 1.0
assign (resid   28 and  name HB#  )(resid   28 and  name HN   ) 4.0 2.8 1.6 
assign (resid   28 and  name HN   )(resid   28 and  name HD## ) 4.0 3.2 2.0 
assign (resid   28 and  name HA   )(resid   28 and  name HB#  ) 3.0 1.8 1.6
assign (resid   28 and  name HD## )(resid   28 and  name HB#  ) 4.0 4.2 3.0 
assign (resid   28 and  name HN   )(resid   29 and  name HN   ) 4.0 2.2 1.0
!V29 
assign (resid   29 and  name HG## )(resid   28 and  name HD## ) 4.0 6.1 4.9
assign (resid   29 and  name HG## )(resid   28 and  name HN   ) 3.0 4.1 3.9
assign (resid   29 and  name HN   )(resid   30 and  name HN   ) 4.0 2.2 1.0
assign (resid   29 and  name HA   )(resid   30 and  name HN   ) 4.0 2.2 1.0
assign (resid   29 and  name HB   )(resid   30 and  name HN   ) 4.0 2.2 1.0
assign (resid   29 and  name HG## )(resid   30 and  name HN   ) 4.0 5.1 3.9
assign (resid   29 and  name HN   )(resid   36 and  name HD#  ) 4.0 4.2 3.0
assign (resid   29 and  name HA   )(resid   29 and  name HB   ) 4.0 2.2 1.0
assign (resid   29 and  name HA   )(resid   29 and  name HG## ) 3.0 4.1 3.9
assign (resid   29 and  name HG## )(resid   25 and  name HA   ) 4.0 5.2 3.9
assign (resid   29 and  name HG## )(resid   28 and  name HB#  ) 4.0 6.1 4.9
assign (resid   29 and  name HG## )(resid   23 and  name HB#  ) 4.0 6.1 4.9
!S30
assign (resid   30 and  name HA   )(resid   30 and  name HN   ) 3.0 1.2 1.0
assign (resid   30 and  name HB#  )(resid   30 and  name HN   ) 4.0 2.8 1.6
assign (resid   30 and  name HA   )(resid   30 and  name HB#  ) 2.5 2.7 1.2
assign (resid   30 and  name HB#  )(resid   29 and  name HB   ) 4.0 3.2 2.0
assign (resid   30 and  name HB#  )(resid   29 and  name HG## ) 4.0 5.6 4.4
assign (resid   30 and  name HB#  )(resid   31 and  name HN   ) 4.0 3.2 2.0
!Q31
assign (resid   31 and  name HA   )(resid   32 and  name HN   ) 4.0 2.2 1.0
assign (resid   31 and  name HB#  )(resid   32 and  name HN   ) 4.0 2.2 1.0
assign (resid   31 and  name HA   )(resid   31 and  name HN   ) 4.0 2.2 1.0
assign (resid   31 and  name HA   )(resid   31 and  name HB#  ) 3.0 2.2 2.0
assign (resid   31 and  name HA   )(resid   31 and  name HG#  ) 4.0 2.8 1.6
assign (resid   31 and  name HB#  )(resid   31 and  name HN   ) 4.0 2.8 1.6
assign (resid   31 and  name HB#  )(resid   31 and  name HG#  ) 3.0 2.8 1.6
assign (resid   31 and  name HG#  )(resid   31 and  name HN   ) 4.0 3.2 2.0
assign (resid   31 and  name HE#  )(resid   31 and  name HG#  ) 3.0 2.8 2.6
assign (resid   31 and  name HE#  )(resid   33 and  name HD1# ) 4.0 4.7 3.5
!A32
assign (resid   32 and  name HA   )(resid   32 and  name HB#  ) 3.0 2.7 2.5
assign (resid   32 and  name HA   )(resid   33 and  name HN   ) 4.0 2.2 1.0
assign (resid   32 and  name HB#  )(resid   33 and  name HN   ) 4.0 2.2 1.0
assign (resid   32 and  name HA   )(resid   32 and  name HN   ) 3.0 1.2 1.0
assign (resid   32 and  name HB#  )(resid   32 and  name HN   ) 3.0 2.3 2.1
assign (resid   32 and  name HN   )(resid   33 and  name HG2# ) 4.0 3.7 2.5
assign (resid   32 and  name HN   )(resid   33 and  name HD1# ) 4.0 3.7 2.5
!I33
assign (resid   33 and  name HA   )(resid   36 and  name HB1  ) 3.0 1.2 1.0
assign (resid   33 and  name HA   )(resid   36 and  name HB2  ) 4.0 2.2 1.0
assign (resid   33 and  name HN   )(resid   36 and  name HD#  ) 4.0 4.2 3.0
assign (resid   33 and  name HD1# )(resid   29 and  name HB   ) 4.0 3.7 2.5
assign (resid   33 and  name HD1# )(resid   36 and  name HB1  ) 4.0 3.7 2.5
assign (resid   33 and  name HD1# )(resid   33 and  name HN   ) 4.0 3.2 2.0
assign (resid   33 and  name HB   )(resid   33 and  name HN   ) 4.0 2.2 1.0
assign (resid   33 and  name HA   )(resid   33 and  name HN   ) 4.0 2.2 1.0
assign (resid   33 and  name HA   )(resid   33 and  name HB   ) 3.0 1.2 1.0
assign (resid   33 and  name HA   )(resid   33 and  name HG2# ) 4.0 2.8 1.6
assign (resid   33 and  name HB   )(resid   33 and  name HG2# ) 4.0 3.7 2.5
assign (resid   33 and  name HB   )(resid   33 and  name HD1# ) 4.0 3.7 2.5
assign (resid   33 and  name HG2# )(resid   33 and  name HD1# ) 3.0 4.2 4.0
!H34
assign (resid   34 and  name HA   )(resid   34 and  name HB#  ) 3.0 1.8 1.6
assign (resid   34 and  name HE#  )(resid   33 and  name HG2# ) 4.0 3.7 2.5
assign (resid   34 and  name HE#  )(resid   35 and  name HG#  ) 4.0 3.2 2.0
assign (resid   34 and  name HE#  )(resid   34 and  name HB#  ) 4.0 2.2 1.0
!K35
assign (resid   35 and  name HB#  )(resid   35 and  name HN   ) 4.0 2.8 1.6
assign (resid   35 and  name HA   )(resid   35 and  name HN   ) 4.0 2.2 1.0
assign (resid   35 and  name HA   )(resid   35 and  name HB#  ) 3.0 2.2 2.0
assign (resid   35 and  name HA   )(resid   35 and  name HG#  ) 4.0 2.8 1.6
assign (resid   35 and  name HB#  )(resid   35 and  name HG#  ) 4.0 3.8 2.6
assign (resid   35 and  name HB#  )(resid   35 and  name HD#  ) 4.0 3.8 2.6
assign (resid   35 and  name HG#  )(resid   35 and  name HD#  ) 3.0 2.8 2.6
assign (resid   35 and  name HG#  )(resid   35 and  name HE#  ) 4.0 3.8 2.6
assign (resid   35 and  name HD#  )(resid   35 and  name HE#  ) 3.0 2.8 3.0
assign (resid   35 and  name HA   )(resid   36 and  name HN   ) 4.0 2.2 1.0
assign (resid   35 and  name HB#  )(resid   36 and  name HN   ) 4.0 3.2 2.0
!Y36
assign (resid   23 and  name HB#  )(resid   36 and  name HE#  ) 2.5 4.2 3.7
assign (resid   36 and  name HA   )(resid   23 and  name HB#  ) 4.0 3.7 2.5
assign (resid   36 and  name HN   )(resid   37 and  name HN   ) 3.0 1.2 1.0
assign (resid   36 and  name HN   )(resid   38 and  name HN   ) 4.0 2.2 1.0
assign (resid   36 and  name HA   )(resid   39 and  name HB#  ) 4.0 3.2 2.0
assign (resid   36 and  name HB2  )(resid   37 and  name HN   ) 4.0 2.2 1.0 
assign (resid   36 and  name HB1  )(resid   36 and  name HN   ) 4.0 2.2 1.0
assign (resid   36 and  name HB2  )(resid   36 and  name HN   ) 3.0 1.2 1.0
assign (resid   36 and  name HA   )(resid   36 and  name HN   ) 4.0 2.2 1.0
assign (resid   36 and  name HB2  )(resid   36 and  name HD#  ) 2.5 2.7 2.2
assign (resid   36 and  name HB1  )(resid   36 and  name HD#  ) 2.5 2.7 2.2
assign (resid   36 and  name HA   )(resid   36 and  name HB1  ) 3.0 1.2 1.0
assign (resid   36 and  name HA   )(resid   36 and  name HB2  ) 4.0 2.2 1.0
assign (resid   36 and  name HN   )(resid   29 and  name HG1# ) 4.0 3.7 2.5
assign (resid   36 and  name HN   )(resid   29 and  name HG2# ) 4.0 3.7 2.5
assign (resid   36 and  name HE#  )(resid   40 and  name HD#  ) 3.0 4.2 4.0
assign (resid   36 and  name HE#  )(resid   40 and  name HG#  ) 3.0 4.2 4.0
assign (resid   36 and  name HE#  )(resid   33 and  name HG1# ) 3.0 4.2 4.0
assign (resid   36 and  name HE#  )(resid   33 and  name HG2# ) 4.0 5.7 4.5
assign (resid   36 and  name HE#  )(resid   33 and  name HD1# ) 4.0 5.7 4.5
!N37
assign (resid   37 and  name HA   )(resid   40 and  name HB#  ) 4.0 3.2 2.0
assign (resid   37 and  name HN   )(resid   36 and  name HD#  ) 4.0 4.2 3.0
assign (resid   37 and  name HN   )(resid   38 and  name HN   ) 3.0 1.2 1.0
assign (resid   37 and  name HA   )(resid   38 and  name HN   ) 4.0 2.2 1.0
assign (resid   37 and  name HA   )(resid   40 and  name HN   ) 4.0 2.2 1.0
assign (resid   37 and  name HA   )(resid   40 and  name HB#  ) 4.0 3.2 2.0
assign (resid   37 and  name HB#  )(resid   38 and  name HN   ) 3.0 2.2 2.0 
assign (resid   37 and  name HN   )(resid   38 and  name HB#  ) 4.0 3.7 2.5
assign (resid   37 and  name HN   )(resid   40 and  name HB#  ) 4.0 3.2 2.0
assign (resid   37 and  name HB#  )(resid   37 and  name HN   ) 4.0 2.8 1.6
assign (resid   37 and  name HA   )(resid   37 and  name HN   ) 4.0 2.2 1.0
assign (resid   37 and  name HB#  )(resid   37 and  name HD## ) 3.0 2.8 2.6
assign (resid   37 and  name HA   )(resid   37 and  name HB#  ) 3.0 2.2 2.0
!A38
assign (resid   38 and  name HB#  )(resid   39 and  name HD#  ) 3.0 4.7 4.5
assign (resid   38 and  name HB#  )(resid   39 and  name HE#  ) 4.0 5.7 4.5
assign (resid   38 and  name HN   )(resid   39 and  name HN   ) 3.0 1.2 1.0
assign (resid   38 and  name HA   )(resid   39 and  name HN   ) 4.0 2.2 1.0
assign (resid   38 and  name HA   )(resid   41 and  name HN   ) 4.0 2.2 1.0
assign (resid   38 and  name HA   )(resid   40 and  name HN   ) 4.0 2.2 1.0
assign (resid   38 and  name HA   )(resid   41 and  name HB#  ) 4.0 3.2 2.0
assign (resid   38 and  name HB#  )(resid   39 and  name HN   ) 4.0 3.7 2.5 
assign (resid   38 and  name HB#  )(resid   38 and  name HN   ) 4.0 3.3 2.1
assign (resid   38 and  name HA   )(resid   38 and  name HN   ) 4.0 2.2 1.0
assign (resid   38 and  name HA   )(resid   38 and  name HB#  ) 3.0 2.3 2.1
assign (resid   38 and  name HB#  )(resid   22 and  name HD1# ) 4.0 4.2 3.0
!Y39
assign (resid   23 and  name HB#  )(resid   39 and  name HB2  ) 3.0 2.7 2.5
assign (resid   23 and  name HB#  )(resid   39 and  name HB1  ) 4.0 3.7 2.5
assign (resid   39 and  name HA   )(resid   69 and  name HD1# ) 4.0 3.7 2.5
assign (resid   69 and  name HD1# )(resid   39 and  name HE#  ) 3.0 4.7 4.5
assign (resid   69 and  name HG2# )(resid   39 and  name HE#  ) 4.0 5.7 4.5
assign (resid   69 and  name HB   )(resid   39 and  name HE#  ) 4.0 4.2 3.5
assign (resid   69 and  name HA   )(resid   39 and  name HE#  ) 4.0 4.2 3.5
assign (resid   22 and  name HD1# )(resid   39 and  name HB1  ) 4.0 3.7 2.5
assign (resid   22 and  name HD1# )(resid   39 and  name HB2  ) 4.0 3.7 2.5
assign (resid   22 and  name HD2# )(resid   39 and  name HB1  ) 4.0 3.7 2.5
assign (resid   22 and  name HD2# )(resid   39 and  name HB2  ) 4.0 3.7 2.5
assign (resid   22 and  name HD1# )(resid   39 and  name HE#  ) 3.0 4.7 4.5
assign (resid   22 and  name HD2# )(resid   39 and  name HE#  ) 3.0 4.7 4.5
assign (resid   40 and  name HB#  )(resid   39 and  name HD#  ) 4.0 5.2 4.0
assign (resid   40 and  name HB#  )(resid   39 and  name HE#  ) 4.0 5.2 4.0
assign (resid   38 and  name HB#  )(resid   39 and  name HE#  ) 3.0 4.7 4.5
assign (resid   39 and  name HN   )(resid   40 and  name HN   ) 3.0 1.2 1.0
assign (resid   39 and  name HA   )(resid   40 and  name HN   ) 4.0 2.2 1.0
assign (resid   39 and  name HA   )(resid   41 and  name HN   ) 4.0 2.2 1.0
assign (resid   39 and  name HN   )(resid   41 and  name HN   ) 4.0 2.2 1.0
assign (resid   39 and  name HA   )(resid   42 and  name HB#  ) 4.0 3.7 2.5
assign (resid   39 and  name HB2  )(resid   40 and  name HN   ) 3.0 1.2 1.0 
assign (resid   39 and  name HB1  )(resid   40 and  name HN   ) 4.0 2.2 1.0 
assign (resid   39 and  name HA   )(resid   39 and  name HB#  ) 4.0 3.3 2.1
assign (resid   39 and  name HB#  )(resid   39 and  name HN   ) 4.0 2.8 1.6
assign (resid   39 and  name HA   )(resid   39 and  name HN   ) 4.0 2.2 1.0
assign (resid   39 and  name HB2  )(resid   39 and  name HD#  ) 2.5 2.7 2.2
assign (resid   39 and  name HB2  )(resid   39 and  name HE#  ) 3.0 3.2 3.0
assign (resid   39 and  name HB1  )(resid   39 and  name HE#  ) 4.0 4.2 3.0
assign (resid   39 and  name HB1  )(resid   39 and  name HD#  ) 3.0 3.2 3.0
!R40
assign (resid   40 and  name HN   )(resid   39 and  name HD#  ) 4.0 4.2 3.0
assign (resid   40 and  name HN   )(resid   41 and  name HN   ) 3.0 1.2 1.0
assign (resid   40 and  name HA   )(resid   41 and  name HN   ) 4.0 2.2 1.0
assign (resid   40 and  name HA   )(resid   43 and  name HN   ) 4.0 2.2 1.0
assign (resid   40 and  name HA   )(resid   42 and  name HN   ) 4.0 2.2 1.0
assign (resid   40 and  name HN   )(resid   42 and  name HN   ) 4.0 2.2 1.0
assign (resid   40 and  name HA   )(resid   43 and  name HB#  ) 4.0 3.7 2.5
assign (resid   40 and  name HB#  )(resid   40 and  name HN   ) 3.0 1.8 1.6
assign (resid   40 and  name HA   )(resid   40 and  name HN   ) 4.0 2.2 1.0
assign (resid   40 and  name HG#  )(resid   40 and  name HN   ) 4.0 3.2 2.0
assign (resid   40 and  name HA   )(resid   40 and  name HB#  ) 3.0 1.8 1.6
assign (resid   40 and  name HA   )(resid   40 and  name HG#  ) 4.0 2.8 1.6
assign (resid   40 and  name HB#  )(resid   40 and  name HG#  ) 3.0 2.8 2.6
assign (resid   40 and  name HB#  )(resid   40 and  name HD#  ) 4.0 3.8 2.6
assign (resid   40 and  name HG#  )(resid   40 and  name HD#  ) 3.0 3.2 3.0
!K41
assign (resid   41 and  name HN   )(resid   42 and  name HN   ) 3.0 1.2 1.0
assign (resid   41 and  name HA   )(resid   42 and  name HN   ) 4.0 2.2 1.0
assign (resid   41 and  name HN   )(resid   43 and  name HN   ) 4.0 2.2 1.0
assign (resid   41 and  name HB#  )(resid   42 and  name HN   ) 4.0 3.2 2.0 
assign (resid   41 and  name HB#  )(resid   41 and  name HN   ) 4.0 2.8 1.6
assign (resid   41 and  name HA   )(resid   41 and  name HN   ) 4.0 2.2 1.0
assign (resid   41 and  name HA   )(resid   41 and  name HB#  ) 3.0 2.2 2.0
assign (resid   41 and  name HA   )(resid   41 and  name HG#  ) 4.0 2.8 1.6
assign (resid   41 and  name HB#  )(resid   41 and  name HG#  ) 3.0 2.8 2.6
assign (resid   41 and  name HG#  )(resid   41 and  name HE#  ) 4.0 3.8 2.6
!A42
assign (resid   65 and  name HG## )(resid   42 and  name HA   ) 4.0 4.0 4.9
assign (resid   42 and  name HB#  )(resid   73 and  name HG1# ) 4.0 4.7 3.5
assign (resid   42 and  name HB#  )(resid   73 and  name HG2# ) 4.0 5.2 4.0
assign (resid   42 and  name HB#  )(resid   73 and  name HD1# ) 4.0 5.2 4.0
assign (resid   42 and  name HN   )(resid   43 and  name HN   ) 3.0 1.2 1.0
assign (resid   42 and  name HA   )(resid   43 and  name HN   ) 4.0 2.2 1.0
assign (resid   42 and  name HN   )(resid   44 and  name HN   ) 4.0 2.2 1.0
assign (resid   42 and  name HB#  )(resid   43 and  name HN   ) 4.0 3.7 2.5 
assign (resid   42 and  name HN   )(resid   69 and  name HD1# ) 4.0 3.7 2.5
assign (resid   42 and  name HN   )(resid   69 and  name HG2# ) 4.0 3.7 2.5
assign (resid   42 and  name HB#  )(resid   42 and  name HN   ) 4.0 3.3 2.1
assign (resid   42 and  name HA   )(resid   42 and  name HN   ) 4.0 2.2 1.0
assign (resid   42 and  name HA   )(resid   42 and  name HB#  ) 3.0 2.7 2.5
!A43
assign (resid   16 and  name HG2# )(resid   43 and  name HB#  ) 4.0 5.2 4.0
assign (resid   16 and  name HG2# )(resid   43 and  name HA   ) 4.0 3.7 2.5
assign (resid   43 and  name HB#  )(resid   20 and  name HG2# ) 4.0 5.2 4.0
assign (resid   43 and  name HN   )(resid   44 and  name HN   ) 3.0 1.2 1.0
assign (resid   43 and  name HA   )(resid   44 and  name HN   ) 4.0 2.2 1.0
assign (resid   43 and  name HB#  )(resid   44 and  name HN   ) 4.0 3.7 2.5 
assign (resid   43 and  name HA   )(resid   19 and  name HD1# ) 4.0 3.7 2.5
assign (resid   43 and  name HA   )(resid   19 and  name HD2# ) 4.0 3.7 2.5
assign (resid   43 and  name HB#  )(resid   19 and  name HD1# ) 4.0 5.2 4.0
assign (resid   43 and  name HB#  )(resid   19 and  name HD2# ) 4.0 5.2 4.0
assign (resid   43 and  name HB#  )(resid   65 and  name HG1# ) 4.0 5.2 4.0
assign (resid   43 and  name HB#  )(resid   65 and  name HG2# ) 4.0 5.2 4.0
assign (resid   43 and  name HA   )(resid   46 and  name HB   ) 4.0 2.2 1.0
assign (resid   43 and  name HN   )(resid   19 and  name HD1# ) 4.0 3.7 2.5
assign (resid   43 and  name HN   )(resid   19 and  name HD2# ) 4.0 3.7 2.5
assign (resid   43 and  name HB#  )(resid   43 and  name HN   ) 4.0 3.7 2.5
assign (resid   43 and  name HA   )(resid   43 and  name HN   ) 4.0 2.2 1.0
assign (resid   43 and  name HA   )(resid   43 and  name HB#  ) 3.0 2.7 2.5
!S44
assign (resid   44 and  name HB#  )(resid   44 and  name HN   ) 3.0 1.8 1.6
assign (resid   44 and  name HB#  )(resid   44 and  name HA   ) 3.0 2.2 2.0
assign (resid   44 and  name HA   )(resid   47 and  name HN   ) 4.0 2.2 1.0
assign (resid   44 and  name HN   )(resid   46 and  name HN   ) 4.0 2.2 1.0
!V45
assign (resid   45 and  name HG1# )(resid   62 and  name HD1# ) 4.0 5.2 4.0
assign (resid   45 and  name HG1# )(resid   62 and  name HD2# ) 4.0 5.2 4.0
assign (resid   45 and  name HG1# )(resid   65 and  name HG## ) 4.0 6.6 5.4
assign (resid   45 and  name HG2# )(resid   59 and  name HA   ) 4.0 3.7 2.5
assign (resid   45 and  name HG1# )(resid   59 and  name HB#  ) 4.0 3.2 4.0
assign (resid   45 and  name HG1# )(resid   46 and  name HA   ) 4.0 3.7 2.5
assign (resid   45 and  name HG1# )(resid   42 and  name HA   ) 4.0 3.7 2.5
assign (resid   45 and  name HG1# )(resid   46 and  name HG2# ) 4.0 4.2 4.0
assign (resid   45 and  name HG2# )(resid   64 and  name HA#  ) 4.0 4.7 3.5
assign (resid   45 and  name HG2# )(resid   63 and  name HD#  ) 4.0 4.7 3.5
assign (resid   45 and  name HG2# )(resid   61 and  name HG#  ) 4.0 3.8 3.1
assign (resid   45 and  name HG2# )(resid   61 and  name HE#  ) 4.0 4.7 3.5
assign (resid   45 and  name HG2# )(resid   42 and  name HB#  ) 4.0 5.2 4.0
assign (resid   45 and  name HB   )(resid   65 and  name HG## ) 4.0 7.1 4.9
assign (resid   45 and  name HB   )(resid   42 and  name HA   ) 4.0 2.2 1.0
assign (resid   45 and  name HA   )(resid   48 and  name HB#  ) 4.0 3.2 2.0
assign (resid   45 and  name HN   )(resid   44 and  name HN   ) 3.0 1.2 1.0
assign (resid   45 and  name HN   )(resid   46 and  name HN   ) 3.0 1.2 1.0
assign (resid   45 and  name HN   )(resid   44 and  name HA   ) 4.0 2.2 1.0
assign (resid   45 and  name HA   )(resid   46 and  name HN   ) 4.0 2.2 1.0
assign (resid   45 and  name HN   )(resid   42 and  name HA   ) 4.0 2.2 1.0
assign (resid   45 and  name HA   )(resid   48 and  name HN   ) 4.0 2.2 1.0
assign (resid   45 and  name HA   )(resid   47 and  name HN   ) 4.0 2.2 1.0
assign (resid   45 and  name HN   )(resid   43 and  name HN   ) 4.0 2.2 1.0
assign (resid   45 and  name HN   )(resid   47 and  name HN   ) 4.0 2.2 1.0
assign (resid   45 and  name HB   )(resid   42 and  name HA   ) 4.0 3.2 2.0
assign (resid   45 and  name HN   )(resid   44 and  name HB#  ) 4.0 3.2 2.0 
assign (resid   45 and  name HB   )(resid   45 and  name HN   ) 4.0 2.2 1.0
assign (resid   45 and  name HA   )(resid   45 and  name HN   ) 4.0 2.2 1.0
assign (resid   45 and  name HG## )(resid   45 and  name HN   ) 4.0 5.1 3.9
assign (resid   45 and  name HA   )(resid   45 and  name HB   ) 3.0 1.2 1.0
assign (resid   45 and  name HA   )(resid   45 and  name HG## ) 3.0 2.3 2.1
!I46
assign (resid   16 and  name HG2# )(resid   46 and  name HG2# ) 4.0 5.2 4.0
assign (resid   15 and  name HG2# )(resid   46 and  name HG2# ) 4.0 5.2 4.0
assign (resid   15 and  name HB   )(resid   46 and  name HG2# ) 4.0 3.7 2.5
assign (resid   62 and  name HD1# )(resid   46 and  name HG2# ) 4.0 5.2 4.0
assign (resid   47 and  name HA   )(resid   46 and  name HG2# ) 4.0 3.7 2.5
assign (resid   47 and  name HB#  )(resid   46 and  name HG2# ) 4.0 5.2 4.0
assign (resid   43 and  name HA   )(resid   46 and  name HG2# ) 4.0 3.7 2.5
assign (resid   15 and  name HD1# )(resid   46 and  name HD1# ) 4.0 5.2 4.0
assign (resid   59 and  name HB#  )(resid   46 and  name HD1# ) 4.0 5.2 4.0
assign (resid   53 and  name HG1# )(resid   46 and  name HD1# ) 4.0 5.2 4.0
assign (resid   53 and  name HG2# )(resid   46 and  name HD1# ) 4.0 5.2 4.0
assign (resid   53 and  name HD1# )(resid   46 and  name HD1# ) 4.0 5.2 4.5
assign (resid   16 and  name HG2# )(resid   46 and  name HB   ) 4.0 3.7 2.5
assign (resid   43 and  name HA   )(resid   46 and  name HB   ) 4.0 2.2 1.0
assign (resid   62 and  name HD1# )(resid   46 and  name HA   ) 4.0 3.7 2.5
assign (resid   49 and  name HB1  )(resid   46 and  name HA   ) 4.0 2.2 1.0
assign (resid   49 and  name HB2  )(resid   46 and  name HA   ) 4.0 2.2 1.0
assign (resid   62 and  name HD1# )(resid   46 and  name HN   ) 4.0 3.7 2.5
assign (resid   46 and  name HN   )(resid   47 and  name HN   ) 3.0 1.2 1.0
assign (resid   46 and  name HA   )(resid   47 and  name HN   ) 4.0 2.2 1.0
assign (resid   46 and  name HA   )(resid   49 and  name HN   ) 4.0 2.2 1.0
assign (resid   46 and  name HN   )(resid   48 and  name HN   ) 4.0 2.2 1.0
assign (resid   46 and  name HB   )(resid   46 and  name HN   ) 4.0 2.2 1.0
assign (resid   46 and  name HA   )(resid   46 and  name HN   ) 4.0 2.2 1.0
assign (resid   46 and  name HA   )(resid   46 and  name HB   ) 3.0 1.2 1.0
assign (resid   46 and  name HA   )(resid   46 and  name HG2# ) 4.0 2.8 1.6
assign (resid   46 and  name HB   )(resid   46 and  name HG2# ) 3.0 1.8 1.6 
assign (resid   46 and  name HB   )(resid   46 and  name HD1# ) 4.0 2.8 1.6
!A47
assign (resid   47 and  name HB#  )(resid   16 and  name HG2# ) 4.0 5.2 4.0
assign (resid   47 and  name HB#  )(resid   15 and  name HB   ) 4.0 3.7 2.5
assign (resid   47 and  name HB#  )(resid   48 and  name HB#  ) 4.0 4.7 3.5
assign (resid   47 and  name HA   )(resid   46 and  name HG2# ) 4.0 3.7 2.5
assign (resid   47 and  name HA   )(resid   15 and  name HG2# ) 4.0 3.7 2.5
assign (resid   47 and  name HN   )(resid   48 and  name HN   ) 4.0 2.2 1.0
assign (resid   47 and  name HA   )(resid   48 and  name HN   ) 4.0 2.2 1.0
assign (resid   47 and  name HA   )(resid   49 and  name HN   ) 4.0 2.2 1.0
assign (resid   47 and  name HB#  )(resid   48 and  name HN   ) 4.0 3.7 2.5 
assign (resid   47 and  name HB#  )(resid   47 and  name HN   ) 4.0 3.3 2.1
assign (resid   47 and  name HA   )(resid   47 and  name HN   ) 4.0 3.3 2.1
assign (resid   47 and  name HA   )(resid   47 and  name HB#  ) 3.0 2.7 2.5
!K48
assign (resid   48 and  name HN   )(resid   49 and  name HN   ) 3.0 1.2 1.0
assign (resid   48 and  name HA   )(resid   49 and  name HN   ) 4.0 2.2 1.0
assign (resid   48 and  name HB#  )(resid   49 and  name HN   ) 4.0 3.8 1.6 
assign (resid   48 and  name HB#  )(resid   48 and  name HN   ) 4.0 2.8 1.6
assign (resid   48 and  name HA   )(resid   48 and  name HN   ) 4.0 2.2 1.0
assign (resid   48 and  name HA   )(resid   48 and  name HB#  ) 4.0 2.8 1.6
assign (resid   48 and  name HA   )(resid   48 and  name HG#  ) 3.0 1.8 1.6
assign (resid   48 and  name HB#  )(resid   48 and  name HG#  ) 2.5 2.2 1.8
assign (resid   48 and  name HB#  )(resid   48 and  name HD#  ) 4.0 3.8 2.6
assign (resid   48 and  name HG#  )(resid   48 and  name HD#  ) 4.0 3.8 2.6
assign (resid   48 and  name HG#  )(resid   48 and  name HE#  ) 4.0 3.8 2.6
assign (resid   48 and  name HD#  )(resid   48 and  name HE#  ) 4.0 4.2 3.0
!Y49
assign (resid   49 and  name HA   )(resid   50 and  name HD#  ) 3.0 2.2 2.0
assign (resid   49 and  name HA   )(resid   50 and  name HG#  ) 4.0 3.2 2.0
assign (resid   49 and  name HA   )(resid   51 and  name HN   ) 4.0 2.2 1.0
assign (resid   51 and  name HB#  )(resid   49 and  name HD#  ) 4.0 4.2 3.0
assign (resid   51 and  name HN   )(resid   49 and  name HD1  ) 3.0 1.2 1.0
assign (resid   51 and  name HN   )(resid   49 and  name HD2  ) 4.0 2.2 1.0
assign (resid   51 and  name HN   )(resid   49 and  name HE1  ) 5.0 3.2 1.0 
assign (resid   51 and  name HN   )(resid   49 and  name HE2  ) 5.0 3.2 1.0 
assign (resid   53 and  name HG2# )(resid   49 and  name HE#  ) 3.0 4.7 4.5
assign (resid   53 and  name HB   )(resid   49 and  name HE#  ) 4.0 5.7 4.5
assign (resid   49 and  name HD#  )(resid   62 and  name HD1# ) 4.0 5.7 4.5
assign (resid   49 and  name HE1  )(resid   62 and  name HD2# ) 2.5 2.2 1.7
assign (resid   49 and  name HE2  )(resid   62 and  name HD2# ) 2.5 2.2 1.7
assign (resid   46 and  name HA   )(resid   49 and  name HD#  ) 4.0 4.2 3.0
assign (resid   49 and  name HN   )(resid   48 and  name HG#  ) 4.0 3.2 2.0
assign (resid   49 and  name HE#  )(resid   50 and  name HD#  ) 2.5 2.7 2.2
assign (resid   49 and  name HD#  )(resid   50 and  name HD#  ) 3.0 3.2 3.0
assign (resid   49 and  name HB#  )(resid   49 and  name HN   ) 3.0 1.8 1.6
assign (resid   49 and  name HA   )(resid   49 and  name HN   ) 4.0 2.2 1.0
assign (resid   49 and  name HB1  )(resid   49 and  name HD#  ) 3.0 3.2 3.0
assign (resid   49 and  name HB1  )(resid   49 and  name HE#  ) 4.0 4.2 3.0
assign (resid   49 and  name HB2  )(resid   49 and  name HE#  ) 4.0 4.2 3.0
assign (resid   49 and  name HB2  )(resid   49 and  name HD#  ) 3.0 3.2 3.0
assign (resid   49 and  name HN   )(resid   49 and  name HD#  ) 4.0 4.2 3.0
assign (resid   49 and  name HA   )(resid   49 and  name HB2  ) 4.0 2.2 1.0
assign (resid   49 and  name HA   )(resid   49 and  name HB1  ) 4.0 2.2 1.0
assign (resid   49 and  name HA   )(resid   49 and  name HD#  ) 3.0 3.2 3.0
assign (resid   49 and  name HA   )(resid   49 and  name HE#  ) 4.0 4.2 3.0
!P50
assign (resid   50 and  name HA   )(resid   50 and  name HD#  ) 4.0 2.2 1.0
assign (resid   50 and  name HA   )(resid   50 and  name HB#  ) 4.0 2.2 1.0
assign (resid   50 and  name HB#  )(resid   50 and  name HG#  ) 4.0 2.2 1.0
assign (resid   50 and  name HG#  )(resid   50 and  name HD#  ) 4.0 2.2 1.0
assign (resid   50 and  name HB#  )(resid   50 and  name HD#  ) 4.0 2.2 1.0
!H51
assign (resid   51 and  name HA   )(resid   15 and  name HG2# ) 4.0 3.7 2.5
assign (resid   51 and  name HN   )(resid   50 and  name HB#  ) 3.0 2.2 2.0
assign (resid   51 and  name HN   )(resid   15 and  name HD1# ) 3.0 2.7 2.5
assign (resid   51 and  name HN   )(resid   15 and  name HG2# ) 4.0 3.7 2.5
assign (resid   51 and  name HB#  )(resid   51 and  name HN   ) 4.0 2.8 1.6
assign (resid   51 and  name HA   )(resid   51 and  name HN   ) 4.0 2.2 1.0
!K52
assign (resid   52 and  name HA   )(resid   15 and  name HG2# ) 4.0 3.7 2.5
assign (resid   52 and  name HN   )(resid   15 and  name HG2# ) 4.0 3.7 2.5
assign (resid   52 and  name HN   )(resid   53 and  name HN   ) 4.0 2.2 1.0
assign (resid   52 and  name HA   )(resid   53 and  name HN   ) 3.0 1.2 1.0
assign (resid   52 and  name HB#  )(resid   52 and  name HN   ) 4.0 2.8 1.6
assign (resid   52 and  name HA   )(resid   52 and  name HN   ) 4.0 2.2 1.0
assign (resid   52 and  name HA   )(resid   52 and  name HB#  ) 4.0 2.8 1.6
assign (resid   52 and  name HA   )(resid   52 and  name HG#  ) 4.0 2.8 1.6
assign (resid   52 and  name HB#  )(resid   52 and  name HG#  ) 3.0 2.8 2.6
assign (resid   52 and  name HB#  )(resid   52 and  name HD#  ) 4.0 3.8 2.6
assign (resid   52 and  name HG#  )(resid   52 and  name HD#  ) 4.0 3.8 2.6
assign (resid   52 and  name HG#  )(resid   52 and  name HE#  ) 4.0 3.8 2.6
assign (resid   52 and  name HD#  )(resid   52 and  name HE#  ) 3.0 3.2 3.0
!I53
assign (resid   53 and  name HG2# )(resid   59 and  name HB#  ) 4.0 5.2 4.0
assign (resid   53 and  name HG2# )(resid   58 and  name HB#  ) 4.0 4.7 3.5
assign (resid   53 and  name HD1# )(resid   62 and  name HD1# ) 4.0 5.2 4.0
assign (resid   53 and  name HD1# )(resid   56 and  name HA#  ) 4.0 4.7 3.5
assign (resid   53 and  name HN   )(resid   54 and  name HN   ) 4.0 2.2 1.0
assign (resid   53 and  name HA   )(resid   54 and  name HN   ) 3.0 1.2 1.0
assign (resid   53 and  name HB   )(resid   53 and  name HN   ) 4.0 2.8 1.6
assign (resid   53 and  name HA   )(resid   53 and  name HN   ) 4.0 2.2 1.0
assign (resid   53 and  name HA   )(resid   53 and  name HB   ) 4.0 2.2 1.0
assign (resid   53 and  name HA   )(resid   53 and  name HG2# ) 4.0 3.3 2.1
assign (resid   53 and  name HA   )(resid   53 and  name HG1# ) 4.0 3.2 2.0
assign (resid   53 and  name HB   )(resid   53 and  name HG2# ) 4.0 3.3 2.1
assign (resid   53 and  name HB   )(resid   53 and  name HD1# ) 4.0 3.3 2.1
assign (resid   53 and  name HG1# )(resid   53 and  name HD1# ) 4.0 4.7 3.5
assign (resid   53 and  name HG1# )(resid   53 and  name HG2# ) 4.0 4.7 3.5
assign (resid   53 and  name HG2# )(resid   53 and  name HD1# ) 4.0 5.2 4.0
!K54
assign (resid   54 and  name HN   )(resid   55 and  name HN   ) 3.0 1.2 1.0
assign (resid   54 and  name HA   )(resid   55 and  name HN   ) 4.0 2.2 1.0
assign (resid   54 and  name HB#  )(resid   54 and  name HN   ) 4.0 2.8 1.6
assign (resid   54 and  name HA   )(resid   54 and  name HN   ) 3.0 1.2 1.0
assign (resid   54 and  name HA   )(resid   54 and  name HB#  ) 2.5 1.7 1.2
assign (resid   54 and  name HA   )(resid   54 and  name HG#  ) 3.0 1.8 1.6
assign (resid   54 and  name HB#  )(resid   54 and  name HG#  ) 2.5 2.3 1.8
assign (resid   54 and  name HB#  )(resid   54 and  name HD#  ) 3.0 2.8 2.6
assign (resid   54 and  name HG#  )(resid   54 and  name HD#  ) 3.0 2.8 2.6
assign (resid   54 and  name HG#  )(resid   54 and  name HE#  ) 4.0 3.8 2.6
assign (resid   54 and  name HD#  )(resid   54 and  name HE#  ) 3.0 3.2 3.0
!S55
assign (resid   55 and  name HA   )(resid   56 and  name HN   ) 4.0 2.2 1.0
assign (resid   55 and  name HB#  )(resid   55 and  name HN   ) 4.0 3.2 2.0
assign (resid   55 and  name HA   )(resid   55 and  name HN   ) 4.0 2.2 1.0
assign (resid   55 and  name HA   )(resid   55 and  name HB#  ) 3.0 2.2 2.0
!G56
assign (resid   56 and  name HA#  )(resid   59 and  name HB#  ) 4.0 4.7 3.5
assign (resid   56 and  name HA#  )(resid   73 and  name HG2# ) 4.0 4.7 3.5
assign (resid   56 and  name HN   )(resid   57 and  name HN   ) 4.0 2.2 1.0
assign (resid   56 and  name HA#  )(resid   57 and  name HN   ) 4.0 3.2 2.0
assign (resid   56 and  name HA#  )(resid   56 and  name HN   ) 4.0 3.2 2.0
!A57
assign (resid   57 and  name HB#  )(resid   58 and  name HB#  ) 4.0 4.7 3.5
assign (resid   57 and  name HB#  )(resid   58 and  name HG#  ) 4.0 4.7 3.5
assign (resid   57 and  name HN   )(resid   58 and  name HN   ) 3.0 1.2 1.0
assign (resid   57 and  name HA   )(resid   58 and  name HN   ) 4.0 2.2 1.0
assign (resid   57 and  name HA   )(resid   60 and  name HN   ) 4.0 2.2 1.0
assign (resid   57 and  name HA   )(resid   59 and  name HN   ) 4.0 2.2 1.0
assign (resid   57 and  name HA   )(resid   60 and  name HB#  ) 4.0 3.2 2.0
assign (resid   57 and  name HB#  )(resid   58 and  name HN   ) 4.0 3.7 2.5
assign (resid   57 and  name HB#  )(resid   57 and  name HN   ) 3.0 2.3 2.1
assign (resid   57 and  name HA   )(resid   57 and  name HN   ) 4.0 2.2 1.0
assign (resid   57 and  name HA   )(resid   57 and  name HB#  ) 4.0 3.2 2.0
!E58
assign (resid   58 and  name HN   )(resid   59 and  name HN   ) 3.0 1.2 1.0
assign (resid   58 and  name HA   )(resid   59 and  name HN   ) 4.0 2.2 1.0
assign (resid   58 and  name HA   )(resid   61 and  name HN   ) 4.0 2.2 1.0
assign (resid   58 and  name HA   )(resid   60 and  name HN   ) 4.0 2.2 1.0
assign (resid   58 and  name HN   )(resid   60 and  name HN   ) 4.0 2.2 1.0
assign (resid   58 and  name HB#  )(resid   59 and  name HN   ) 4.0 3.2 2.0 
assign (resid   58 and  name HB#  )(resid   58 and  name HN   ) 4.0 2.8 1.6
assign (resid   58 and  name HA   )(resid   58 and  name HN   ) 4.0 2.2 1.0
assign (resid   58 and  name HA   )(resid   58 and  name HB#  ) 4.0 3.2 2.0
assign (resid   58 and  name HA   )(resid   58 and  name HG#  ) 4.0 2.8 1.6
assign (resid   58 and  name HG#  )(resid   58 and  name HN   ) 4.0 3.2 2.0
assign (resid   58 and  name HB#  )(resid   58 and  name HG#  ) 4.0 3.8 2.6
!A59
assign (resid   59 and  name HA   )(resid   62 and  name HD2# ) 4.0 3.7 2.5
assign (resid   59 and  name HA   )(resid   62 and  name HD1# ) 4.0 3.7 2.5
assign (resid   59 and  name HA   )(resid   73 and  name HD1# ) 4.0 3.7 2.5
assign (resid   59 and  name HA   )(resid   73 and  name HG2# ) 4.0 3.7 2.5
assign (resid   59 and  name HB#  )(resid   62 and  name HD1# ) 4.0 5.2 4.0
assign (resid   59 and  name HB#  )(resid   65 and  name HG## ) 4.0 6.6 5.4
assign (resid   59 and  name HB#  )(resid   65 and  name HB   ) 4.0 3.7 2.5
assign (resid   59 and  name HB#  )(resid   73 and  name HD1# ) 4.0 5.2 4.0
assign (resid   59 and  name HN   )(resid   60 and  name HN   ) 3.0 1.2 1.0
assign (resid   59 and  name HA   )(resid   60 and  name HN   ) 4.0 2.2 1.0
assign (resid   59 and  name HA   )(resid   62 and  name HN   ) 4.0 2.2 1.0
assign (resid   59 and  name HN   )(resid   61 and  name HN   ) 4.0 2.2 1.0
assign (resid   59 and  name HB#  )(resid   60 and  name HN   ) 4.0 3.7 2.5 
assign (resid   59 and  name HB#  )(resid   59 and  name HN   ) 3.0 2.3 2.1
assign (resid   59 and  name HA   )(resid   59 and  name HN   ) 4.0 2.2 1.0
assign (resid   59 and  name HA   )(resid   59 and  name HB#  ) 4.0 3.3 2.1
!K60 
assign (resid   60 and  name HA   )(resid   65 and  name HG## ) 4.0 5.1 3.9
assign (resid   60 and  name HN   )(resid   61 and  name HN   ) 3.0 1.2 1.0
assign (resid   60 and  name HA   )(resid   61 and  name HN   ) 4.0 2.2 1.0
assign (resid   60 and  name HA   )(resid   62 and  name HN   ) 4.0 2.2 1.0
assign (resid   60 and  name HB#  )(resid   61 and  name HN   ) 4.0 3.2 2.0
assign (resid   60 and  name HB#  )(resid   60 and  name HN   ) 4.0 2.8 1.6
assign (resid   60 and  name HA   )(resid   60 and  name HN   ) 4.0 2.2 1.0
assign (resid   60 and  name HA   )(resid   60 and  name HB#  ) 4.0 2.8 1.6
assign (resid   60 and  name HA   )(resid   60 and  name HG#  ) 4.0 2.8 1.6
assign (resid   60 and  name HB#  )(resid   60 and  name HG#  ) 3.0 2.8 2.6
assign (resid   60 and  name HB#  )(resid   60 and  name HD#  ) 4.0 3.8 2.6
assign (resid   60 and  name HG#  )(resid   60 and  name HD#  ) 4.0 3.8 2.6
assign (resid   60 and  name HG#  )(resid   60 and  name HE#  ) 4.0 3.8 2.6
assign (resid   60 and  name HD#  )(resid   60 and  name HE#  ) 3.0 2.8 2.6
!K61
assign (resid   61 and  name HN   )(resid   62 and  name HN   ) 3.0 1.2 1.0
assign (resid   61 and  name HA   )(resid   62 and  name HN   ) 4.0 2.2 1.0
assign (resid   61 and  name HB#  )(resid   62 and  name HN   ) 4.0 3.2 2.0
assign (resid   61 and  name HB#  )(resid   61 and  name HN   ) 4.0 2.8 1.6
assign (resid   61 and  name HA   )(resid   61 and  name HN   ) 4.0 2.2 1.0
assign (resid   61 and  name HA   )(resid   61 and  name HB#  ) 4.0 2.8 1.6
assign (resid   61 and  name HA   )(resid   61 and  name HG#  ) 4.0 2.8 1.6
assign (resid   61 and  name HB#  )(resid   61 and  name HG#  ) 4.0 3.8 2.6
assign (resid   61 and  name HB#  )(resid   61 and  name HD#  ) 4.0 3.8 2.6
assign (resid   61 and  name HG#  )(resid   61 and  name HD#  ) 4.0 3.8 2.6
assign (resid   61 and  name HG#  )(resid   61 and  name HE#  ) 4.0 4.2 3.0
assign (resid   61 and  name HD#  )(resid   61 and  name HE#  ) 4.0 4.2 3.0
!L62
assign (resid   62 and  name HB#  )(resid   65 and  name HG## ) 4.0 5.2 4.0
assign (resid   62 and  name HD1# )(resid   49 and  name HB1  ) 4.0 3.7 2.0
assign (resid   62 and  name HD2# )(resid   49 and  name HB2  ) 4.0 3.7 2.0
assign (resid   62 and  name HD1# )(resid   53 and  name HG2# ) 4.0 5.2 4.0
assign (resid   62 and  name HD2# )(resid   53 and  name HG2# ) 4.0 5.2 4.0
assign (resid   62 and  name HD2# )(resid   53 and  name HG2# ) 4.0 5.2 4.0
assign (resid   62 and  name HD1# )(resid   53 and  name HG2# ) 4.0 5.2 4.0
assign (resid   62 and  name HG   )(resid   59 and  name HA   ) 4.0 2.2 1.0
assign (resid   62 and  name HB#  )(resid   62 and  name HN   ) 4.0 2.8 1.6
assign (resid   62 and  name HA   )(resid   62 and  name HN   ) 4.0 3.2 1.0
assign (resid   62 and  name HD2# )(resid   62 and  name HA   ) 3.0 2.7 2.5
assign (resid   62 and  name HA   )(resid   62 and  name HB#  ) 4.0 2.8 1.6
assign (resid   62 and  name HG   )(resid   62 and  name HB#  ) 4.0 2.8 1.6
assign (resid   62 and  name HG   )(resid   62 and  name HD2# ) 4.0 3.7 2.5
assign (resid   62 and  name HG   )(resid   62 and  name HD1# ) 4.0 3.7 2.5
assign (resid   62 and  name HG   )(resid   62 and  name HN   ) 4.0 2.2 1.0
assign (resid   62 and  name HD## )(resid   62 and  name HN   ) 4.0 4.7 3.5
!P63
assign (resid   63 and  name HD#  )(resid   62 and  name HD2# ) 4.0 3.7 2.0
!G64
assign (resid   64 and  name HN   )(resid   65 and  name HN   ) 3.0 1.2 1.0
assign (resid   63 and  name HA   )(resid   64 and  name HN   ) 3.0 1.2 1.0
assign (resid   64 and  name HA#  )(resid   65 and  name HN   ) 4.0 3.2 2.0
assign (resid   63 and  name HB#  )(resid   64 and  name HN   ) 4.0 3.2 2.0
!V65
assign (resid   65 and  name HA   )(resid   42 and  name HB#  ) 4.0 3.7 2.5
assign (resid   65 and  name HA   )(resid   64 and  name HA#  ) 4.0 3.2 2.0
assign (resid   65 and  name HG## )(resid   62 and  name HD## ) 4.0 5.6 4.4
assign (resid   65 and  name HG## )(resid   69 and  name HG2# ) 4.0 6.6 5.4
assign (resid   65 and  name HG## )(resid   69 and  name HB   ) 4.0 5.1 3.9
assign (resid   65 and  name HA   )(resid   66 and  name HN   ) 3.0 1.2 1.0
assign (resid   65 and  name HB   )(resid   66 and  name HN   ) 4.0 2.2 1.0
assign (resid   65 and  name HB   )(resid   65 and  name HN   ) 4.0 2.2 1.0
assign (resid   65 and  name HA   )(resid   65 and  name HN   ) 4.0 2.2 1.0
assign (resid   65 and  name HG## )(resid   65 and  name HN   ) 4.0 5.1 3.9
assign (resid   65 and  name HA   )(resid   65 and  name HB   ) 4.0 2.2 1.0
assign (resid   65 and  name HB   )(resid   65 and  name HG## ) 3.0 5.1 4.9
!G66
assign (resid   66 and  name HA#  )(resid   66 and  name HN   ) 3.0 2.2 2.0
assign (resid   66 and  name HN   )(resid   69 and  name HB   ) 4.0 2.2 1.0
assign (resid   66 and  name HN   )(resid   70 and  name HB#  ) 4.0 3.7 2.5
!T67
assign (resid   67 and  name HA   )(resid   70 and  name HB#  ) 4.0 3.7 2.5
assign (resid   67 and  name HA   )(resid   67 and  name HB   ) 4.0 2.2 1.0
assign (resid   67 and  name HA   )(resid   67 and  name HG2# ) 4.0 3.3 2.1
assign (resid   67 and  name HB   )(resid   67 and  name HG2# ) 3.0 2.8 2.6
!K68
assign (resid   68 and  name HB#  )(resid   68 and  name HN   ) 4.0 2.8 1.6
assign (resid   68 and  name HA   )(resid   68 and  name HN   ) 4.0 2.2 1.0
assign (resid   68 and  name HA   )(resid   68 and  name HB#  ) 4.0 2.8 1.6
assign (resid   68 and  name HA   )(resid   68 and  name HG#  ) 4.0 2.8 1.6
assign (resid   68 and  name HB#  )(resid   68 and  name HG#  ) 4.0 3.8 2.6
assign (resid   68 and  name HB#  )(resid   68 and  name HD#  ) 4.0 4.2 3.0
assign (resid   68 and  name HG#  )(resid   68 and  name HD#  ) 4.0 4.2 3.0
assign (resid   68 and  name HG#  )(resid   68 and  name HE#  ) 4.0 4.2 3.0
assign (resid   68 and  name HD#  )(resid   68 and  name HE#  ) 4.0 4.2 3.0
!I69
assign (resid   69 and  name HA   )(resid   72 and  name HB#  ) 4.0 3.2 2.0
assign (resid   69 and  name HG2# )(resid   42 and  name HB#  ) 3.0 4.2 4.0 
assign (resid   69 and  name HG2# )(resid   42 and  name HA   ) 4.0 3.7 2.5
assign (resid   69 and  name HG2# )(resid   59 and  name HB#  ) 4.0 5.2 4.0
assign (resid   69 and  name HG2# )(resid   39 and  name HA   ) 4.0 3.7 2.5
assign (resid   69 and  name HG2# )(resid   38 and  name HB#  ) 4.0 5.2 4.0
assign (resid   69 and  name HD1# )(resid   65 and  name HG## ) 4.0 6.6 5.4
assign (resid   69 and  name HD1# )(resid   39 and  name HB1  ) 4.0 3.7 2.5
assign (resid   69 and  name HD1# )(resid   42 and  name HB#  ) 4.0 5.2 4.0
assign (resid   69 and  name HD1# )(resid   42 and  name HA   ) 4.0 3.7 3.5
assign (resid   69 and  name HN   )(resid   70 and  name HN   ) 3.0 1.2 1.0
assign (resid   69 and  name HA   )(resid   70 and  name HN   ) 4.0 2.2 1.0
assign (resid   69 and  name HA   )(resid   72 and  name HN   ) 4.0 2.2 1.0
assign (resid   69 and  name HA   )(resid   72 and  name HB#  ) 4.0 3.2 2.0
assign (resid   69 and  name HB   )(resid   70 and  name HN   ) 4.0 2.2 1.0
assign (resid   69 and  name HB   )(resid   69 and  name HN   ) 4.0 2.2 1.0
assign (resid   69 and  name HA   )(resid   69 and  name HN   ) 4.0 2.2 1.0
assign (resid   69 and  name HA   )(resid   69 and  name HG2# ) 4.0 2.2 1.0
assign (resid   69 and  name HB   )(resid   69 and  name HG2# ) 3.0 1.8 1.6
assign (resid   69 and  name HB   )(resid   69 and  name HD1# ) 4.0 3.7 2.5
assign (resid   69 and  name HG1# )(resid   69 and  name HB   ) 3.0 1.8 1.6
assign (resid   69 and  name HG1# )(resid   69 and  name HG2# ) 4.0 4.7 3.5
assign (resid   69 and  name HG2# )(resid   69 and  name HD1# ) 4.0 5.2 4.0
assign (resid   69 and  name HG1# )(resid   69 and  name HD1# ) 4.0 4.7 3.5
!A70
assign (resid   70 and  name HA   )(resid   73 and  name HB   ) 4.0 2.2 1.0
assign (resid   70 and  name HA   )(resid   73 and  name HD1# ) 4.0 3.7 2.5
assign (resid   70 and  name HA   )(resid   73 and  name HG2# ) 4.0 3.7 2.5
assign (resid   70 and  name HB#  )(resid   65 and  name HG## ) 4.0 6.6 5.4
assign (resid   70 and  name HB#  )(resid   59 and  name HB#  ) 4.0 5.2 4.0
assign (resid   46 and  name HD1# )(resid   70 and  name HB#  ) 4.0 5.2 4.0
assign (resid   70 and  name HN   )(resid   71 and  name HN   ) 3.0 1.2 1.0
assign (resid   70 and  name HA   )(resid   71 and  name HN   ) 4.0 2.2 1.0
assign (resid   70 and  name HA   )(resid   73 and  name HN   ) 4.0 2.2 1.0
assign (resid   70 and  name HA   )(resid   72 and  name HN   ) 4.0 2.2 1.0
assign (resid   70 and  name HA   )(resid   73 and  name HB   ) 4.0 2.2 1.0
assign (resid   70 and  name HB#  )(resid   71 and  name HN   ) 4.0 3.7 2.5
assign (resid   70 and  name HB#  )(resid   70 and  name HN   ) 3.0 2.3 2.1
assign (resid   70 and  name HA   )(resid   70 and  name HN   ) 4.0 2.2 1.0
assign (resid   70 and  name HA   )(resid   70 and  name HB#  ) 4.0 3.3 2.1
!E71
assign (resid   71 and  name HN   )(resid   72 and  name HN   ) 3.0 1.2 1.0
assign (resid   71 and  name HA   )(resid   72 and  name HN   ) 4.0 2.2 1.0
assign (resid   71 and  name HA   )(resid   74 and  name HN   ) 4.0 2.2 1.0
assign (resid   71 and  name HA   )(resid   73 and  name HN   ) 4.0 2.2 1.0
assign (resid   71 and  name HN   )(resid   73 and  name HN   ) 4.0 2.2 1.0
assign (resid   71 and  name HA   )(resid   74 and  name HB#  ) 4.0 3.2 2.0
assign (resid   71 and  name HB#  )(resid   72 and  name HN   ) 4.0 3.2 2.0
assign (resid   71 and  name HB#  )(resid   71 and  name HN   ) 3.0 1.8 1.6
assign (resid   71 and  name HA   )(resid   71 and  name HN   ) 4.0 2.2 1.0
assign (resid   71 and  name HA   )(resid   71 and  name HB#  ) 4.0 2.8 1.6
assign (resid   71 and  name HA   )(resid   71 and  name HG#  ) 4.0 2.8 1.6
assign (resid   71 and  name HB#  )(resid   71 and  name HG#  ) 3.0 2.8 2.6
assign (resid   71 and  name HG#  )(resid   71 and  name HN   ) 4.0 3.2 2.0
!K72 
assign (resid   72 and  name HA   )(resid   75 and  name HB#  ) 4.0 3.2 2.0
assign (resid   72 and  name HN   )(resid   73 and  name HN   ) 3.0 1.2 1.0
assign (resid   72 and  name HA   )(resid   73 and  name HN   ) 4.0 2.2 1.0
assign (resid   72 and  name HA   )(resid   75 and  name HN   ) 4.0 2.2 1.0
assign (resid   72 and  name HA   )(resid   74 and  name HN   ) 4.0 2.2 1.0
assign (resid   72 and  name HN   )(resid   74 and  name HN   ) 4.0 2.2 1.0
assign (resid   72 and  name HB#  )(resid   73 and  name HN   ) 4.0 3.2 2.0
assign (resid   72 and  name HB#  )(resid   72 and  name HN   ) 4.0 2.8 1.6
assign (resid   72 and  name HA   )(resid   72 and  name HN   ) 4.0 2.2 1.0
assign (resid   72 and  name HA   )(resid   72 and  name HB#  ) 4.0 2.8 1.6
assign (resid   72 and  name HA   )(resid   72 and  name HG#  ) 4.0 2.8 1.6
assign (resid   72 and  name HB#  )(resid   72 and  name HG#  ) 3.0 2.8 2.6
assign (resid   72 and  name HB#  )(resid   72 and  name HD#  ) 4.0 3.8 2.6
assign (resid   72 and  name HG#  )(resid   72 and  name HD#  ) 4.0 4.2 3.0
assign (resid   72 and  name HG#  )(resid   72 and  name HE#  ) 4.0 4.2 3.0
assign (resid   72 and  name HD#  )(resid   72 and  name HE#  ) 4.0 4.2 3.0
!I73
assign (resid   73 and  name HA   )(resid   76 and  name HB2  ) 4.0 2.2 1.0
assign (resid   73 and  name HA   )(resid   15 and  name HD1# ) 4.0 3.7 2.5
assign (resid   73 and  name HD1# )(resid   70 and  name HB#  ) 4.0 5.2 4.0
assign (resid   73 and  name HG2# )(resid   15 and  name HD1# ) 4.0 5.2 4.0
assign (resid   73 and  name HG2# )(resid   56 and  name HA#  ) 4.0 4.7 3.5
assign (resid   73 and  name HG2# )(resid   46 and  name HG2# ) 4.0 5.2 4.0
assign (resid   73 and  name HG2# )(resid   59 and  name HB#  ) 3.0 4.2 4.0
assign (resid   73 and  name HN   )(resid   74 and  name HN   ) 3.0 1.2 1.0
assign (resid   73 and  name HA   )(resid   74 and  name HN   ) 4.0 2.2 1.0
assign (resid   73 and  name HA   )(resid   76 and  name HN   ) 4.0 2.2 1.0
assign (resid   73 and  name HB   )(resid   74 and  name HN   ) 4.0 2.2 1.0 
assign (resid   73 and  name HB   )(resid   73 and  name HN   ) 4.0 2.2 1.0
assign (resid   73 and  name HA   )(resid   73 and  name HN   ) 4.0 2.2 1.0
assign (resid   73 and  name HA   )(resid   73 and  name HG2# ) 4.0 2.8 1.6
assign (resid   73 and  name HB   )(resid   73 and  name HG2# ) 3.0 2.7 2.5
assign (resid   73 and  name HB   )(resid   73 and  name HD1# ) 4.0 3.7 2.5
assign (resid   73 and  name HG1# )(resid   73 and  name HB   ) 3.0 1.8 1.6
!D74
assign (resid   74 and  name HA   )(resid   77 and  name HB#  ) 4.0 3.2 2.0
assign (resid   74 and  name HA   )(resid   77 and  name HD1# ) 4.0 3.7 2.5
assign (resid   74 and  name HA   )(resid   77 and  name HD2# ) 4.0 3.7 2.5
assign (resid   74 and  name HN   )(resid   75 and  name HN   ) 3.0 1.2 1.0
assign (resid   74 and  name HA   )(resid   75 and  name HN   ) 4.0 2.2 1.0
assign (resid   74 and  name HA   )(resid   76 and  name HN   ) 4.0 2.2 1.0
assign (resid   74 and  name HN   )(resid   76 and  name HN   ) 4.0 2.2 1.0
assign (resid   74 and  name HB#  )(resid   75 and  name HN   ) 4.0 3.2 2.0 
assign (resid   74 and  name HB#  )(resid   74 and  name HN   ) 4.0 2.8 1.6
assign (resid   74 and  name HA   )(resid   74 and  name HN   ) 4.0 2.2 1.0
assign (resid   74 and  name HA   )(resid   74 and  name HB#  ) 4.0 2.8 1.6
!E75
assign (resid   75 and  name HN   )(resid   76 and  name HN   ) 3.0 1.2 1.0
assign (resid   75 and  name HA   )(resid   76 and  name HN   ) 4.0 2.2 1.0
assign (resid   75 and  name HA   )(resid   78 and  name HN   ) 4.0 2.2 1.0
assign (resid   75 and  name HA   )(resid   77 and  name HN   ) 4.0 2.2 1.0
assign (resid   75 and  name HN   )(resid   77 and  name HN   ) 4.0 2.2 1.0
assign (resid   75 and  name HA   )(resid   78 and  name HB#  ) 4.0 3.7 2.5
assign (resid   75 and  name HB#  )(resid   76 and  name HN   ) 4.0 3.2 2.0 
assign (resid   75 and  name HB#  )(resid   75 and  name HN   ) 4.0 2.8 1.6
assign (resid   75 and  name HA   )(resid   75 and  name HN   ) 4.0 2.2 1.0
assign (resid   75 and  name HA   )(resid   75 and  name HB#  ) 4.0 2.8 1.6
assign (resid   75 and  name HG#  )(resid   75 and  name HN   ) 4.0 3.2 2.0
assign (resid   75 and  name HB#  )(resid   75 and  name HG#  ) 3.0 2.8 2.6
assign (resid   75 and  name HA   )(resid   75 and  name HG#  ) 4.0 2.8 1.6
!F76
assign (resid   76 and  name HA   )(resid   77 and  name HD1# ) 4.0 3.7 2.5
assign (resid   76 and  name HA   )(resid   77 and  name HD2# ) 4.0 3.7 2.5
assign (resid   15 and  name HG2# )(resid   76 and  name HD#  ) 3.0 4.7 4.5
assign (resid   15 and  name HB   )(resid   76 and  name HD#  ) 4.0 4.2 3.5
assign (resid   76 and  name HD#  )(resid   77 and  name HB#  ) 3.0 4.2 4.0
assign (resid   76 and  name HD#  )(resid   77 and  name HG   ) 4.0 4.2 3.0
assign (resid   76 and  name HD#  )(resid   15 and  name HG1# ) 4.0 5.2 4.0
assign (resid   76 and  name HD#  )(resid   77 and  name HD1# ) 4.0 5.7 4.5
assign (resid   76 and  name HD#  )(resid   77 and  name HD2# ) 4.0 5.7 4.5
assign (resid   76 and  name HD#  )(resid   75 and  name HB#  ) 4.0 5.7 4.5
assign (resid   76 and  name HD#  )(resid   73 and  name HA   ) 4.0 4.2 3.0
assign (resid   15 and  name HG2# )(resid   76 and  name HE#  ) 4.0 5.7 4.5
assign (resid   15 and  name HB   )(resid   76 and  name HE#  ) 4.0 4.2 3.0
assign (resid   76 and  name HE#  )(resid   77 and  name HG   ) 4.0 4.2 3.0
assign (resid   76 and  name HE#  )(resid   15 and  name HG1# ) 4.0 5.2 4.0
assign (resid   76 and  name HE#  )(resid   77 and  name HD## ) 4.0 5.7 4.5
assign (resid   76 and  name HE#  )(resid   75 and  name HB#  ) 4.0 5.2 4.5
assign (resid   76 and  name HE#  )(resid   73 and  name HA   ) 4.0 4.2 3.0
assign (resid   76 and  name HN   )(resid   77 and  name HN   ) 3.0 1.2 1.0
assign (resid   76 and  name HA   )(resid   77 and  name HN   ) 4.0 2.2 1.0
assign (resid   76 and  name HA   )(resid   79 and  name HN   ) 4.0 2.2 1.0
assign (resid   76 and  name HB2  )(resid   77 and  name HN   ) 4.0 2.2 1.0
assign (resid   76 and  name HB2  )(resid   76 and  name HN   ) 3.0 1.2 1.0
assign (resid   76 and  name HB1  )(resid   76 and  name HN   ) 4.0 2.2 1.0
assign (resid   76 and  name HA   )(resid   76 and  name HN   ) 4.0 2.2 1.0
assign (resid   76 and  name HB1  )(resid   76 and  name HD#  ) 3.0 3.2 3.0
assign (resid   76 and  name HB2  )(resid   76 and  name HD#  ) 3.0 3.2 3.0
assign (resid   76 and  name HN   )(resid   76 and  name HD#  ) 4.0 4.2 3.0
!L77
assign (resid   77 and  name HA   )(resid   76 and  name HD#  ) 4.0 4.2 3.0
assign (resid   77 and  name HN   )(resid   78 and  name HN   ) 3.0 1.2 1.0
assign (resid   77 and  name HB#  )(resid   78 and  name HN   ) 4.0 3.2 2.0
assign (resid   77 and  name HB#  )(resid   77 and  name HN   ) 4.0 2.8 1.6
assign (resid   77 and  name HA   )(resid   77 and  name HN   ) 4.0 2.2 1.0
assign (resid   77 and  name HD1# )(resid   77 and  name HN   ) 4.0 3.7 2.5
assign (resid   77 and  name HD2# )(resid   77 and  name HN   ) 4.0 3.7 2.5
assign (resid   77 and  name HA   )(resid   77 and  name HB#  ) 4.0 3.2 2.0
assign (resid   77 and  name HA   )(resid   77 and  name HG#  ) 4.0 3.2 2.0
assign (resid   77 and  name HB#  )(resid   77 and  name HD1# ) 4.0 4.3 3.1
assign (resid   77 and  name HB#  )(resid   77 and  name HD2# ) 4.0 4.3 3.1
!A78
assign (resid   78 and  name HN   )(resid   79 and  name HN   ) 3.0 1.2 1.0
assign (resid   78 and  name HA   )(resid   79 and  name HN   ) 4.0 2.2 1.0
assign (resid   78 and  name HB#  )(resid   79 and  name HN   ) 4.0 2.7 2.5 
assign (resid   78 and  name HB#  )(resid   78 and  name HN   ) 4.0 3.3 2.1
assign (resid   78 and  name HA   )(resid   78 and  name HN   ) 4.0 3.2 1.0
assign (resid   78 and  name HA   )(resid   78 and  name HB#  ) 4.0 3.3 2.1
!T79
assign (resid   79 and  name HA   )(resid   80 and  name HA#  ) 4.0 3.2 2.0
assign (resid   79 and  name HA   )(resid   78 and  name HB#  ) 4.0 3.2 2.0
assign (resid   79 and  name HN   )(resid   80 and  name HN   ) 3.0 1.2 1.0
assign (resid   79 and  name HA   )(resid   80 and  name HN   ) 3.0 1.2 1.0
assign (resid   79 and  name HN   )(resid   81 and  name HN   ) 4.0 2.2 1.0
assign (resid   79 and  name HB   )(resid   80 and  name HN   ) 4.0 3.2 2.0 
assign (resid   79 and  name HB   )(resid   79 and  name HN   ) 4.0 2.2 1.0
assign (resid   79 and  name HA   )(resid   79 and  name HN   ) 4.0 2.2 1.0
assign (resid   79 and  name HA   )(resid   79 and  name HG2# ) 4.0 3.3 2.1
assign (resid   79 and  name HB   )(resid   79 and  name HG2# ) 4.0 3.7 2.5
assign (resid   79 and  name HG2# )(resid   79 and  name HN   ) 4.0 3.7 2.5
!G80
assign (resid   80 and  name HN   )(resid   81 and  name HN   ) 4.0 2.2 1.0
assign (resid   80 and  name HA#  )(resid   81 and  name HN   ) 3.0 2.2 2.0
assign (resid   80 and  name HA#  )(resid   80 and  name HN   ) 3.0 2.2 2.0
!K81
assign (resid   81 and  name HA   )(resid   82 and  name HN   ) 4.0 2.2 1.0
assign (resid   81 and  name HN   )(resid   82 and  name HN   ) 4.0 2.2 1.0
assign (resid   81 and  name HB#  )(resid   81 and  name HN   ) 4.0 2.8 1.6
assign (resid   81 and  name HA   )(resid   81 and  name HN   ) 3.0 1.2 1.0
assign (resid   81 and  name HA   )(resid   81 and  name HB#  ) 2.5 1.7 1.2
assign (resid   81 and  name HA   )(resid   81 and  name HG#  ) 3.0 1.8 1.6
assign (resid   81 and  name HB#  )(resid   81 and  name HG#  ) 2.5 2.3 1.8
assign (resid   81 and  name HB#  )(resid   81 and  name HD#  ) 3.0 3.2 3.0
assign (resid   81 and  name HG#  )(resid   81 and  name HD#  ) 3.0 3.2 3.0
assign (resid   81 and  name HG#  )(resid   81 and  name HE#  ) 4.0 3.2 3.0
assign (resid   81 and  name HD#  )(resid   81 and  name HE#  ) 3.0 3.2 3.0
!L82
assign (resid   82 and  name HN   )(resid   83 and  name HN   ) 4.0 2.2 1.0
assign (resid   82 and  name HA   )(resid   83 and  name HN   ) 4.0 2.2 1.0
assign (resid   82 and  name HB#  )(resid   82 and  name HN   ) 4.0 2.8 1.6
assign (resid   82 and  name HA   )(resid   82 and  name HN   ) 3.0 1.2 1.0
assign (resid   82 and  name HD## )(resid   82 and  name HA   ) 4.0 5.1 3.9
assign (resid   82 and  name HA   )(resid   82 and  name HB#  ) 2.5 1.7 1.2
assign (resid   82 and  name HG   )(resid   82 and  name HB#  ) 2.5 1.7 1.2
assign (resid   82 and  name HG   )(resid   82 and  name HD## ) 3.0 4.1 3.9
assign (resid   82 and  name HD1# )(resid   82 and  name HD2# ) 2.5 3.7 3.2
assign (resid   82 and  name HG   )(resid   82 and  name HN   ) 3.0 1.2 1.0
assign (resid   82 and  name HD## )(resid   82 and  name HN   ) 4.0 6.1 3.9
!R83
assign (resid   83 and  name HN   )(resid   84 and  name HN   ) 4.0 2.2 1.0
assign (resid   83 and  name HA   )(resid   84 and  name HN   ) 4.0 2.2 1.0
assign (resid   83 and  name HB#  )(resid   84 and  name HN   ) 4.0 3.2 2.0
assign (resid   83 and  name HA   )(resid   84 and  name HN   ) 3.0 1.2 1.0
assign (resid   83 and  name HB#  )(resid   83 and  name HN   ) 4.0 2.8 1.6
assign (resid   83 and  name HA   )(resid   83 and  name HN   ) 3.0 1.2 1.0
assign (resid   83 and  name HG#  )(resid   83 and  name HN   ) 4.0 3.2 2.0
assign (resid   83 and  name HA   )(resid   83 and  name HB#  ) 2.5 1.7 1.2
assign (resid   83 and  name HA   )(resid   83 and  name HG#  ) 3.0 1.2 1.0
assign (resid   83 and  name HB#  )(resid   83 and  name HG#  ) 2.5 2.3 1.8
assign (resid   83 and  name HB#  )(resid   83 and  name HD#  ) 3.0 2.8 2.6
assign (resid   83 and  name HG#  )(resid   83 and  name HD#  ) 2.5 2.7 2.2
!K84
assign (resid   84 and  name HA   )(resid   85 and  name HN   ) 4.0 2.2 1.0
assign (resid   84 and  name HN   )(resid   85 and  name HN   ) 4.0 2.2 1.0
assign (resid   84 and  name HB#  )(resid   84 and  name HN   ) 4.0 2.8 1.6
assign (resid   84 and  name HA   )(resid   84 and  name HN   ) 3.0 1.2 1.0
assign (resid   84 and  name HA   )(resid   84 and  name HB#  ) 2.5 1.7 1.2
assign (resid   84 and  name HA   )(resid   84 and  name HG#  ) 3.0 1.8 1.6
assign (resid   84 and  name HB#  )(resid   84 and  name HG#  ) 2.5 2.3 1.8
assign (resid   84 and  name HB#  )(resid   84 and  name HD#  ) 3.0 2.8 2.6
assign (resid   84 and  name HG#  )(resid   84 and  name HD#  ) 3.0 3.2 3.0
assign (resid   84 and  name HG#  )(resid   84 and  name HE#  ) 4.0 4.2 3.0
assign (resid   84 and  name HD#  )(resid   84 and  name HE#  ) 3.0 3.2 3.0
!L85
assign (resid   85 and  name HN   )(resid   86 and  name HN   ) 4.0 2.2 1.0
assign (resid   85 and  name HA   )(resid   86 and  name HN   ) 4.0 2.2 1.0
assign (resid   85 and  name HD## )(resid   85 and  name HA   ) 4.0 6.1 3.9
assign (resid   85 and  name HA   )(resid   85 and  name HB#  ) 2.5 1.7 1.2
assign (resid   85 and  name HG   )(resid   85 and  name HB#  ) 2.5 1.7 1.2
assign (resid   85 and  name HG   )(resid   85 and  name HD## ) 3.0 4.1 3.9
assign (resid   85 and  name HD1# )(resid   85 and  name HD2# ) 2.5 3.7 3.2
assign (resid   85 and  name HG   )(resid   85 and  name HN   ) 3.0 1.2 1.0
assign (resid   85 and  name HD## )(resid   85 and  name HN   ) 4.0 5.1 3.9
!E86
assign (resid   86 and  name HA   )(resid   87 and  name HN   ) 4.0 2.2 1.0
assign (resid   86 and  name HN   )(resid   87 and  name HN   ) 4.0 2.2 1.0
assign (resid   86 and  name HA   )(resid   86 and  name HN   ) 3.0 1.2 1.0
assign (resid   86 and  name HA   )(resid   86 and  name HB#  ) 2.5 1.7 1.2
assign (resid   86 and  name HA   )(resid   86 and  name HG#  ) 3.0 2.2 2.0
assign (resid   86 and  name HB#  )(resid   86 and  name HN   ) 3.0 1.8 1.6
assign (resid   86 and  name HB#  )(resid   86 and  name HG#  ) 2.5 2.3 1.8
assign (resid   86 and  name HG#  )(resid   86 and  name HN   ) 4.0 3.2 2.0
!K87
assign (resid   87 and  name HB#  )(resid   87 and  name HN   ) 4.0 2.8 1.6
assign (resid   87 and  name HA   )(resid   87 and  name HN   ) 3.0 1.2 1.0
assign (resid   87 and  name HA   )(resid   87 and  name HB#  ) 2.5 1.7 1.2
assign (resid   87 and  name HA   )(resid   87 and  name HG#  ) 3.0 1.8 1.6
assign (resid   87 and  name HB#  )(resid   87 and  name HG#  ) 2.5 2.3 1.8
assign (resid   87 and  name HB#  )(resid   87 and  name HD#  ) 3.0 2.8 2.6
assign (resid   87 and  name HG#  )(resid   87 and  name HD#  ) 3.0 3.2 3.0
assign (resid   87 and  name HG#  )(resid   87 and  name HE#  ) 4.0 4.2 3.0
assign (resid   87 and  name HD#  )(resid   87 and  name HE#  ) 3.0 3.2 3.0
!H-bonds
assign (resid   15 and  name O    )(resid   19 and  name N    ) 3.3 0.8 0.2
assign (resid   16 and  name O    )(resid   20 and  name N    ) 3.3 0.8 0.2
assign (resid   17 and  name O    )(resid   21 and  name N    ) 3.3 0.8 0.2
assign (resid   18 and  name O    )(resid   22 and  name N    ) 3.3 0.8 0.2
assign (resid   19 and  name O    )(resid   23 and  name N    ) 3.3 0.8 0.2
assign (resid   20 and  name O    )(resid   24 and  name N    ) 3.3 0.8 0.2
assign (resid   21 and  name O    )(resid   25 and  name N    ) 3.3 0.8 0.2
assign (resid   37 and  name O    )(resid   41 and  name N    ) 3.3 0.8 0.2
assign (resid   38 and  name O    )(resid   42 and  name N    ) 3.3 0.8 0.2
assign (resid   39 and  name O    )(resid   43 and  name N    ) 3.3 0.8 0.2
assign (resid   40 and  name O    )(resid   44 and  name N    ) 3.3 0.8 0.2
assign (resid   41 and  name O    )(resid   45 and  name N    ) 3.3 0.8 0.2
assign (resid   42 and  name O    )(resid   46 and  name N    ) 3.3 0.8 0.2
assign (resid   43 and  name O    )(resid   47 and  name N    ) 3.3 0.8 0.2
assign (resid   57 and  name O    )(resid   61 and  name N    ) 3.3 0.8 0.2
assign (resid   58 and  name O    )(resid   62 and  name N    ) 3.3 0.8 0.2
assign (resid   69 and  name O    )(resid   73 and  name N    ) 3.3 0.8 0.2
assign (resid   70 and  name O    )(resid   74 and  name N    ) 3.3 0.8 0.2
assign (resid   71 and  name O    )(resid   75 and  name N    ) 3.3 0.8 0.2
assign (resid   72 and  name O    )(resid   76 and  name N    ) 3.3 0.8 0.2
assign (resid   73 and  name O    )(resid   77 and  name N    ) 3.3 0.8 0.2
assign (resid   74 and  name O    )(resid   78 and  name N    ) 3.3 0.8 0.2
assign (resid   15 and  name O    )(resid   19 and  name HN   ) 2.3 0.8 0.2
assign (resid   16 and  name O    )(resid   20 and  name HN   ) 2.3 0.8 0.2
assign (resid   17 and  name O    )(resid   21 and  name HN   ) 2.3 0.8 0.2
assign (resid   18 and  name O    )(resid   22 and  name HN   ) 2.3 0.8 0.2
assign (resid   19 and  name O    )(resid   23 and  name HN   ) 2.3 0.8 0.2
assign (resid   20 and  name O    )(resid   24 and  name HN   ) 2.3 0.8 0.2
assign (resid   21 and  name O    )(resid   25 and  name HN   ) 2.3 0.8 0.2
assign (resid   37 and  name O    )(resid   41 and  name HN   ) 2.3 0.8 0.2
assign (resid   38 and  name O    )(resid   42 and  name HN   ) 2.3 0.8 0.2
assign (resid   39 and  name O    )(resid   43 and  name HN   ) 2.3 0.8 0.2
assign (resid   40 and  name O    )(resid   44 and  name HN   ) 2.3 0.8 0.2
assign (resid   41 and  name O    )(resid   45 and  name HN   ) 2.3 0.8 0.2
assign (resid   42 and  name O    )(resid   46 and  name HN   ) 2.3 0.8 0.2
assign (resid   43 and  name O    )(resid   47 and  name HN   ) 2.3 0.8 0.2
assign (resid   57 and  name O    )(resid   61 and  name HN   ) 2.3 0.8 0.2
assign (resid   58 and  name O    )(resid   62 and  name HN   ) 2.3 0.8 0.2
assign (resid   69 and  name O    )(resid   73 and  name HN   ) 2.3 0.8 0.2
assign (resid   70 and  name O    )(resid   74 and  name HN   ) 2.3 0.8 0.2
assign (resid   71 and  name O    )(resid   75 and  name HN   ) 2.3 0.8 0.2
assign (resid   72 and  name O    )(resid   76 and  name HN   ) 2.3 0.8 0.2
assign (resid   73 and  name O    )(resid   77 and  name HN   ) 2.3 0.8 0.2
assign (resid   74 and  name O    )(resid   78 and  name HN   ) 2.3 0.8 0.2
!...
set echo=on end
set wrnlev=5 end



remarks deposit_mullen (Gregory P. Mullen: gmullen@panda.uchc.edu)
!! file bnp.dih
!! see Liu, Prasad, Wilson, DeRose, and Mullen for details
set message=on echo=on end
cons dihedral reset
!! Phi restraints: minimum deviation = 30 degrees
  !!    15
 assign (resid   14 and name c )   (resid   15 and name n )
        (resid   15 and name ca)   (resid   15 and name c )  1.0 -60.0 30.0 2
  !!    16
 assign (resid   15 and name c )   (resid   16 and name n )
        (resid   16 and name ca)   (resid   16 and name c )  1.0 -60.0 30.0 2
  !!    17
 assign (resid   16 and name c )   (resid   17 and name n )
        (resid   17 and name ca)   (resid   17 and name c )  1.0 -60.0 30.0 2
  !!    18
 assign (resid   17 and name c )   (resid   18 and name n )
        (resid   18 and name ca)   (resid   18 and name c )  1.0 -60.0 30.0 2
  !!    19
 assign (resid   18 and name c )   (resid   19 and name n )
        (resid   19 and name ca)   (resid   19 and name c )  1.0 -60.0 30.0 2
  !!    20 
 assign (resid   19 and name c )   (resid   20 and name n ) 
        (resid   20 and name ca)   (resid   20 and name c )  1.0 -60.0 30.0 2
  !!    21
 assign (resid   20 and name c )   (resid   21 and name n ) 
        (resid   21 and name ca)   (resid   21 and name c )  1.0 -60.0 30.0 2
  !!    22 
 assign (resid   21 and name c )   (resid   22 and name n ) 
        (resid   22 and name ca)   (resid   22 and name c )  1.0 -60.0 30.0 2
  !!    23
 assign (resid   22 and name c )   (resid   23 and name n ) 
        (resid   23 and name ca)   (resid   23 and name c )  1.0 -60.0 30.0 2
  !!    24
 assign (resid   23 and name c )   (resid   24 and name n ) 
        (resid   24 and name ca)   (resid   24 and name c )  1.0 -60.0 30.0 2
  !!    25 
 assign (resid   24 and name c )   (resid   25 and name n ) 
        (resid   25 and name ca)   (resid   25 and name c )  1.0 -60.0 30.0 2
  !!    30
 assign (resid   29 and name c )   (resid   30 and name n )
        (resid   30 and name ca)   (resid   30 and name c )  1.0 -60.0 30.0 2
  !!    36 
 assign (resid   35 and name c )   (resid   36 and name n ) 
        (resid   36 and name ca)   (resid   36 and name c )  1.0 -60.0 30.0 2 
  !!    37 
 assign (resid   36 and name c )   (resid   37 and name n ) 
        (resid   37 and name ca)   (resid   37 and name c )  1.0 -60.0 30.0 2
  !!    38 
 assign (resid   37 and name c )   (resid   38 and name n ) 
        (resid   38 and name ca)   (resid   38 and name c )  1.0 -60.0 30.0 2
  !!    40 
 assign (resid   39 and name c )   (resid   40 and name n ) 
        (resid   40 and name ca)   (resid   40 and name c )  1.0 -60.0 30.0 2
  !!    41 
 assign (resid   40 and name c )   (resid   41 and name n ) 
        (resid   41 and name ca)   (resid   41 and name c )  1.0 -60.0 30.0 2
  !!    42 
 assign (resid   41 and name c )   (resid   42 and name n ) 
        (resid   42 and name ca)   (resid   42 and name c )  1.0 -60.0 30.0 2
  !!    43 
 assign (resid   42 and name c )   (resid   43 and name n ) 
        (resid   43 and name ca)   (resid   43 and name c )  1.0 -60.0 30.0 2
  !!    44 
 assign (resid   43 and name c )   (resid   44 and name n ) 
        (resid   44 and name ca)   (resid   44 and name c )  1.0 -60.0 30.0 2
  !!    45 
 assign (resid   44 and name c )   (resid   45 and name n ) 
        (resid   45 and name ca)   (resid   45 and name c )  1.0 -60.0 30.0 2
  !!    46 
 assign (resid   45 and name c )   (resid   46 and name n ) 
        (resid   46 and name ca)   (resid   46 and name c )  1.0 -60.0 30.0 2
  !!    47 
 assign (resid   46 and name c )   (resid   47 and name n ) 
        (resid   47 and name ca)   (resid   47 and name c )  1.0 -60.0 30.0 2
  !!    48 
 assign (resid   47 and name c )   (resid   48 and name n ) 
        (resid   48 and name ca)   (resid   48 and name c )  1.0 -120.0 50.0 2
  !!    49 
 assign (resid   48 and name c )   (resid   49 and name n ) 
        (resid   49 and name ca)   (resid   49 and name c )  1.0 -60.0 50.0 2
  !!    57
 assign (resid   56 and name c )   (resid   57 and name n )
        (resid   57 and name ca)   (resid   57 and name c )  1.0 -60.0 30.0 2
  !!    58
 assign (resid   57 and name c )   (resid   58 and name n ) 
        (resid   58 and name ca)   (resid   58 and name c )  1.0 -60.0 30.0 2
  !!    59
 assign (resid   58 and name c )   (resid   59 and name n ) 
        (resid   59 and name ca)   (resid   59 and name c )  1.0 -60.0 30.0 2
  !!    60 
 assign (resid   59 and name c )   (resid   60 and name n ) 
        (resid   60 and name ca)   (resid   60 and name c )  1.0 -60.0 30.0 2
  !!    61 
 assign (resid   60 and name c )   (resid   61 and name n ) 
        (resid   61 and name ca)   (resid   61 and name c )  1.0 -80.0 30.0 2
  !!    62
 assign (resid   61 and name c )   (resid   62 and name n )
        (resid   62 and name ca)   (resid   62 and name c )  1.0 -80.0 30.0 2
  !!    69 
 assign (resid   68 and name c )   (resid   69 and name n ) 
        (resid   69 and name ca)   (resid   69 and name c )  1.0 -60.0 30.0 2
  !!    70 
 assign (resid   69 and name c )   (resid   70 and name n ) 
        (resid   70 and name ca)   (resid   70 and name c )  1.0 -60.0 30.0 2
  !!    71 
 assign (resid   70 and name c )   (resid   71 and name n ) 
        (resid   71 and name ca)   (resid   71 and name c )  1.0 -60.0 30.0 2
  !!    72 
 assign (resid   71 and name c )   (resid   72 and name n ) 
        (resid   72 and name ca)   (resid   72 and name c )  1.0 -60.0 30.0 2
  !!    73
 assign (resid   72 and name c )   (resid   73 and name n ) 
        (resid   73 and name ca)   (resid   73 and name c )  1.0 -60.0 30.0 2
  !!    74
 assign (resid   73 and name c )   (resid   74 and name n ) 
        (resid   74 and name ca)   (resid   74 and name c )  1.0 -60.0 30.0 2
  !!    75 
 assign (resid   74 and name c )   (resid   75 and name n ) 
        (resid   75 and name ca)   (resid   75 and name c )  1.0 -60.0 30.0 2
  !!    76 
 assign (resid   75 and name c )   (resid   76 and name n ) 
        (resid   76 and name ca)   (resid   76 and name c )  1.0 -60.0 30.0 2
  !!    77
 assign (resid   76 and name c )   (resid   77 and name n )
        (resid   77 and name ca)   (resid   77 and name c )  1.0 -60.0 30.0 2
  !!    78
 assign (resid   77 and name c )   (resid   78 and name n )
        (resid   78 and name ca)   (resid   78 and name c )  1.0 -60.0 30.0 2
  !!    79
 assign (resid   78 and name c )   (resid   79 and name n )
        (resid   79 and name ca)   (resid   79 and name c )  1.0 -120.0 40.0 2
  !!    6 
 assign (resid   5  and name c )   (resid   6  and name n )
        (resid   6  and name ca)   (resid   6  and name c )  1.0 -60.0 30.0 2
  !!    8 
 assign (resid   7  and name c )   (resid   8  and name n )
        (resid   8  and name ca)   (resid   8  and name c )  1.0 -60.0 30.0 2
  !!    11
 assign (resid   10 and name c )   (resid   11 and name n )
        (resid   11 and name ca)   (resid   11 and name c )  1.0 -60.0 30.0 2
  !!    12
 assign (resid   11 and name c )   (resid   12 and name n )
        (resid   12 and name ca)   (resid   12 and name c )  1.0 -120.0 30.0 2
  !!    28
 assign (resid   27 and name c )   (resid   28 and name n )
        (resid   28 and name ca)   (resid   28 and name c )  1.0 -60.0 30.0 2
  !!    33
 assign (resid   32 and name c )   (resid   33 and name n )
        (resid   33 and name ca)   (resid   33 and name c )  1.0 -60.0 30.0 2
  !!    54
 assign (resid   53 and name c )   (resid   54 and name n )
        (resid   54 and name ca)   (resid   54 and name c )  1.0 -60.0 30.0 2
  !!    81
 assign (resid   80 and name c )   (resid   81 and name n )
        (resid   81 and name ca)   (resid   81 and name c )  1.0 -120.0 40.0 2
  !!    65
 assign (resid   64 and name c )   (resid   65 and name n )
        (resid   65 and name ca)   (resid   65 and name c )  1.0 -120.0 40.0 2
  !!    39
 assign (resid   38 and name c )   (resid   39 and name n )
        (resid   39 and name ca)   (resid   39 and name c )  1.0 -60.0 30.0 2

!Chi +/- 50

  !!65
assign (resid 65 and name n)    (resid 65 and name ca)
       (resid 65 and name cb)   (resid 65 and name cg1) 1.0 180.0 60.0 2
  !!29
assign (resid 29 and name n)    (resid 29 and name ca)
       (resid 29 and name cb)   (resid 29 and name cg1) 1.0 180.0 60.0 2
  !!45
assign (resid 45 and name n)    (resid 45 and name ca)
       (resid 45 and name cb)   (resid 45 and name cg1) 1.0 60.0 60.0 2
  !!20
assign (resid 20 and name n)    (resid 20 and name ca)
       (resid 20 and name cb)   (resid 20 and name cg1) 1.0 180.0 50.0 2
  !!36
assign (resid 36 and name n)    (resid 36 and name ca)
       (resid 36 and name cb)   (resid 36 and name cg)  1.0 180.0 50.0 2
  !!76
assign (resid 76 and name n)    (resid 76 and name ca)
       (resid 76 and name cb)   (resid 76 and name cg)  1.0 -60.0 50.0 2
  !!25
assign (resid 25 and name n)    (resid 25 and name ca)
       (resid 25 and name cb)   (resid 25 and name cg)  1.0 -60.0 50.0 2
  !!49
assign (resid 49 and name n)    (resid 49 and name ca)
       (resid 49 and name cb)   (resid 49 and name cg)  1.0 180.0 60.0 2
  !!39
assign (resid 39 and name n)    (resid 39 and name ca)
       (resid 39 and name cb)   (resid 39 and name cg)  1.0 -60.0 60.0 2
  !!15
assign (resid 15 and name n)    (resid 15 and name ca)
       (resid 15 and name cb)   (resid 15 and name cg1) 1.0 -60.0 50.0 2
  !!46
assign (resid 46 and name n)    (resid 46 and name ca)
       (resid 46 and name cb)   (resid 46 and name cg1) 1.0 -60.0 60.0 2
  !!69
assign (resid 69 and name n)    (resid 69 and name ca)
       (resid 69 and name cb)   (resid 69 and name cg1) 1.0 -60.0 60.0 2
  !!73
assign (resid 73 and name n)    (resid 73 and name ca)
       (resid 73 and name cb)   (resid 73 and name cg1) 1.0 -60.0 60.0 2
  !!33
assign (resid 33 and name n)    (resid 33 and name ca)
       (resid 33 and name cb)   (resid 33 and name cg1) 1.0 -60.0 60.0 2
  !!62
assign (resid 62 and name n)    (resid 62 and name ca)
       (resid 62 and name cb)   (resid 62 and name cg) 1.0 -60.0 60.0 2
  !!62
assign (resid 62 and name ca)   (resid 62 and name cb)
       (resid 62 and name cg)   (resid 62 and name cd1) 1.0 180.0 60.0 2
end
end
set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1           HT3      MET   1  87.424  -3.897  -8.234
    2   2H    MET   1           HT2      MET   1  87.641  -5.136  -9.376
    3   3H    MET   1           HT1      MET   1  86.077  -4.710  -8.867
    4    HA   MET   1           HA       MET   1  86.284  -5.730  -6.836
    5   1HB   MET   1           HB2      MET   1  86.693  -7.238  -9.008
    6   2HB   MET   1           HB1      MET   1  88.250  -7.501  -8.221
    7   1HG   MET   1           HG2      MET   1  85.675  -7.774  -6.678
    8   2HG   MET   1           HG1      MET   1  86.304  -9.117  -7.633
    9   1HE   MET   1           HE2      MET   1  85.999  -7.740  -4.360
   10   2HE   MET   1           HE1      MET   1  85.806  -9.472  -4.622
   11   3HE   MET   1           HE3      MET   1  87.030  -8.876  -3.492
   12    H    SER   2           HN       SER   2  87.366  -5.425  -4.957
   13    HA   SER   2           HA       SER   2  89.113  -5.009  -3.450
   14   1HB   SER   2           HB2      SER   2  89.882  -7.225  -4.458
   15   2HB   SER   2           HB1      SER   2  90.919  -6.278  -5.521
   16    HG   SER   2           HG       SER   2  92.205  -5.894  -3.897
   17    H    LYS   3           HN       LYS   3  88.940  -2.708  -3.822
   18    HA   LYS   3           HA       LYS   3  90.685  -1.482  -5.853
   19   1HB   LYS   3           HB2      LYS   3  88.921  -0.254  -3.711
   20   2HB   LYS   3           HB1      LYS   3  89.782   0.655  -4.954
   21   1HG   LYS   3           HG2      LYS   3  87.847  -1.568  -5.630
   22   2HG   LYS   3           HG1      LYS   3  87.333   0.111  -5.457
   23   1HD   LYS   3           HD2      LYS   3  88.908   0.800  -7.205
   24   2HD   LYS   3           HD1      LYS   3  89.492  -0.858  -7.354
   25   1HE   LYS   3           HE2      LYS   3  87.931  -0.891  -9.046
   26   2HE   LYS   3           HE1      LYS   3  86.875  -1.326  -7.703
   27   1HZ   LYS   3           HZ2      LYS   3  86.586   1.193  -7.451
   28   2HZ   LYS   3           HZ1      LYS   3  87.188   1.285  -9.037
   29   3HZ   LYS   3           HZ3      LYS   3  85.767   0.414  -8.720
   30    H    ARG   4           HN       ARG   4  90.336  -1.052  -2.310
   31    HA   ARG   4           HA       ARG   4  93.307  -0.971  -2.109
   32   1HB   ARG   4           HB2      ARG   4  91.945   1.356  -2.153
   33   2HB   ARG   4           HB1      ARG   4  91.795   0.973  -0.437
   34   1HG   ARG   4           HG2      ARG   4  93.829   2.026  -0.339
   35   2HG   ARG   4           HG1      ARG   4  94.413   0.421  -0.776
   36   1HD   ARG   4           HD2      ARG   4  93.800   1.492  -3.233
   37   2HD   ARG   4           HD1      ARG   4  94.378   2.909  -2.363
   38    HE   ARG   4           HE       ARG   4  96.001   0.817  -3.429
   39   1HH1  ARG   4          HH21      ARG   4  95.705   2.672  -0.489
   40   2HH1  ARG   4          HH22      ARG   4  97.279   2.227   0.068
   41   1HH2  ARG   4          HH11      ARG   4  98.037   0.288  -2.691
   42   2HH2  ARG   4          HH12      ARG   4  98.593   0.901  -1.170
   43    H    LYS   5           HN       LYS   5  90.393  -0.616  -0.047
   44    HA   LYS   5           HA       LYS   5  90.815  -3.091   1.347
   45   1HB   LYS   5           HB2      LYS   5  92.717  -1.411   2.136
   46   2HB   LYS   5           HB1      LYS   5  91.419  -0.774   3.146
   47   1HG   LYS   5           HG2      LYS   5  91.772  -3.737   3.073
   48   2HG   LYS   5           HG1      LYS   5  92.970  -2.797   3.964
   49   1HD   LYS   5           HD2      LYS   5  90.751  -1.608   4.896
   50   2HD   LYS   5           HD1      LYS   5  90.071  -3.194   4.529
   51   1HE   LYS   5           HE2      LYS   5  91.721  -4.291   5.924
   52   2HE   LYS   5           HE1      LYS   5  92.579  -2.771   6.176
   53   1HZ   LYS   5           HZ3      LYS   5  90.476  -1.912   7.179
   54   2HZ   LYS   5           HZ2      LYS   5  89.869  -3.498   7.132
   55   3HZ   LYS   5           HZ1      LYS   5  91.239  -3.136   8.071
   56    H    ALA   6           HN       ALA   6  88.544  -3.198   1.018
   57    HA   ALA   6           HA       ALA   6  86.834  -1.111   2.217
   58   1HB   ALA   6           HB1      ALA   6  86.479  -2.626   0.013
   59   2HB   ALA   6           HB3      ALA   6  85.661  -3.648   1.194
   60   3HB   ALA   6           HB2      ALA   6  85.129  -1.985   0.949
   61    HA   PRO   7           HA       PRO   7  86.229  -3.095   6.092
   62   1HB   PRO   7           HB2      PRO   7  83.363  -2.816   6.152
   63   2HB   PRO   7           HB1      PRO   7  84.571  -1.820   6.974
   64   1HG   PRO   7           HG2      PRO   7  82.959  -1.106   4.693
   65   2HG   PRO   7           HG1      PRO   7  84.166  -0.114   5.521
   66   1HD   PRO   7           HD2      PRO   7  84.380  -1.354   2.929
   67   2HD   PRO   7           HD1      PRO   7  85.594  -0.367   3.768
   68    H    GLN   8           HN       GLN   8  84.825  -4.915   7.121
   69    HA   GLN   8           HA       GLN   8  84.565  -7.075   5.123
   70   1HB   GLN   8           HB2      GLN   8  84.742  -6.925   8.111
   71   2HB   GLN   8           HB1      GLN   8  84.009  -8.353   7.379
   72   1HG   GLN   8           HG2      GLN   8  86.341  -8.846   7.602
   73   2HG   GLN   8           HG1      GLN   8  86.076  -8.496   5.893
   74   1HE2  GLN   8          HE22      GLN   8  88.691  -6.138   6.077
   75   2HE2  GLN   8          HE21      GLN   8  88.062  -7.519   5.317
   76    H    GLU   9           HN       GLU   9  82.557  -5.231   7.378
   77    HA   GLU   9           HA       GLU   9  80.151  -6.431   6.067
   78   1HB   GLU   9           HB2      GLU   9  80.411  -5.622   8.981
   79   2HB   GLU   9           HB1      GLU   9  78.974  -6.300   8.216
   80   1HG   GLU   9           HG2      GLU   9  81.502  -7.844   7.920
   81   2HG   GLU   9           HG1      GLU   9  80.760  -7.832   9.520
   82    H    THR  10           HN       THR  10  81.462  -4.055   5.226
   83    HA   THR  10           HA       THR  10  81.070  -1.791   4.768
   84    HB   THR  10           HB       THR  10  78.806  -1.198   4.308
   85    HG1  THR  10           HG1      THR  10  77.286  -1.744   5.617
   86   1HG2  THR  10          HG23      THR  10  79.103  -4.198   4.003
   87   2HG2  THR  10          HG22      THR  10  77.928  -3.203   3.143
   88   3HG2  THR  10          HG21      THR  10  79.653  -2.977   2.856
   89    H    LEU  11           HN       LEU  11  79.679   0.221   5.757
   90    HA   LEU  11           HA       LEU  11  80.549   0.340   8.578
   91   1HB   LEU  11           HB2      LEU  11  81.100   2.191   6.997
   92   2HB   LEU  11           HB1      LEU  11  79.378   2.523   6.824
   93    HG   LEU  11           HG       LEU  11  79.343   2.732   9.394
   94   1HD1  LEU  11          HD13      LEU  11  82.289   2.629   8.790
   95   2HD1  LEU  11          HD12      LEU  11  81.701   3.593  10.145
   96   3HD1  LEU  11          HD11      LEU  11  81.398   1.856  10.101
   97   1HD2  LEU  11          HD21      LEU  11  79.388   4.593   7.554
   98   2HD2  LEU  11          HD23      LEU  11  79.721   5.044   9.226
   99   3HD2  LEU  11          HD22      LEU  11  81.051   4.840   8.086
  100    H    ASN  12           HN       ASN  12  77.623   1.644   6.968
  101    HA   ASN  12           HA       ASN  12  75.911   0.196   8.888
  102   1HB   ASN  12           HB2      ASN  12  76.406   3.145   8.943
  103   2HB   ASN  12           HB1      ASN  12  74.764   2.577   9.249
  104   1HD2  ASN  12          HD22      ASN  12  77.267   2.469  12.285
  105   2HD2  ASN  12          HD21      ASN  12  77.353   3.524  10.959
  106    H    GLY  13           HN       GLY  13  75.381   3.106   6.900
  107   1HA   GLY  13           HA2      GLY  13  72.915   2.467   5.826
  108   2HA   GLY  13           HA1      GLY  13  74.098   3.442   4.967
  109    H    GLY  14           HN       GLY  14  75.152   2.544   3.211
  110   1HA   GLY  14           HA2      GLY  14  75.622   0.956   1.521
  111   2HA   GLY  14           HA1      GLY  14  75.158  -0.318   2.662
  112    H    ILE  15           HN       ILE  15  73.228   2.480   1.838
  113    HA   ILE  15           HA       ILE  15  70.866   0.900   1.322
  114    HB   ILE  15           HB       ILE  15  71.325   3.803   0.603
  115   1HG1  ILE  15          HG12      ILE  15  70.437   2.673   3.279
  116   2HG1  ILE  15          HG11      ILE  15  71.988   3.451   2.968
  117   1HG2  ILE  15          HG23      ILE  15  69.243   2.400  -0.055
  118   2HG2  ILE  15          HG22      ILE  15  68.814   2.559   1.649
  119   3HG2  ILE  15          HG21      ILE  15  69.018   3.999   0.652
  120   1HD1  ILE  15          HD11      ILE  15  70.547   5.420   2.047
  121   2HD1  ILE  15          HD13      ILE  15  69.239   4.671   2.956
  122   3HD1  ILE  15          HD12      ILE  15  70.680   5.231   3.793
  123    H    THR  16           HN       THR  16  72.609   3.220  -0.717
  124    HA   THR  16           HA       THR  16  71.354   2.506  -3.132
  125    HB   THR  16           HB       THR  16  72.525   4.563  -3.118
  126    HG1  THR  16           HG1      THR  16  72.785   3.560  -5.085
  127   1HG2  THR  16          HG21      THR  16  74.797   2.923  -2.038
  128   2HG2  THR  16          HG23      THR  16  75.110   4.476  -2.813
  129   3HG2  THR  16          HG22      THR  16  74.083   4.396  -1.382
  130    H    ASP  17           HN       ASP  17  73.809   0.817  -1.363
  131    HA   ASP  17           HA       ASP  17  75.007  -0.564  -3.611
  132   1HB   ASP  17           HB2      ASP  17  75.081  -0.814  -0.634
  133   2HB   ASP  17           HB1      ASP  17  75.594  -2.204  -1.592
  134    H    MET  18           HN       MET  18  72.610  -1.559  -1.138
  135    HA   MET  18           HA       MET  18  72.093  -4.087  -2.498
  136   1HB   MET  18           HB2      MET  18  70.797  -2.662  -0.172
  137   2HB   MET  18           HB1      MET  18  70.166  -4.180  -0.812
  138   1HG   MET  18           HG2      MET  18  72.770  -4.853  -0.593
  139   2HG   MET  18           HG1      MET  18  72.677  -3.658   0.700
  140   1HE   MET  18           HE2      MET  18  72.945  -6.930   0.078
  141   2HE   MET  18           HE1      MET  18  73.424  -6.522   1.723
  142   3HE   MET  18           HE3      MET  18  72.202  -7.768   1.437
  143    H    LEU  19           HN       LEU  19  70.869  -0.860  -2.813
  144    HA   LEU  19           HA       LEU  19  68.285  -1.635  -3.924
  145   1HB   LEU  19           HB2      LEU  19  69.336   0.735  -2.946
  146   2HB   LEU  19           HB1      LEU  19  69.333   1.012  -4.688
  147    HG   LEU  19           HG       LEU  19  66.929  -0.053  -3.189
  148   1HD1  LEU  19          HD13      LEU  19  67.752   2.299  -2.503
  149   2HD1  LEU  19          HD12      LEU  19  67.277   2.793  -4.127
  150   3HD1  LEU  19          HD11      LEU  19  66.072   2.143  -3.015
  151   1HD2  LEU  19          HD23      LEU  19  67.468  -0.108  -5.851
  152   2HD2  LEU  19          HD22      LEU  19  65.838   0.048  -5.198
  153   3HD2  LEU  19          HD21      LEU  19  66.718   1.483  -5.722
  154    H    VAL  20           HN       VAL  20  71.423  -0.560  -5.084
  155    HA   VAL  20           HA       VAL  20  70.800  -0.758  -7.896
  156    HB   VAL  20           HB       VAL  20  73.451  -0.748  -6.412
  157   1HG1  VAL  20          HG12      VAL  20  72.757  -0.475  -9.340
  158   2HG1  VAL  20          HG11      VAL  20  74.296   0.062  -8.667
  159   3HG1  VAL  20          HG13      VAL  20  73.848  -1.642  -8.593
  160   1HG2  VAL  20          HG23      VAL  20  71.781   1.250  -6.276
  161   2HG2  VAL  20          HG22      VAL  20  73.459   1.588  -6.702
  162   3HG2  VAL  20          HG21      VAL  20  72.224   1.528  -7.960
  163    H    GLU  21           HN       GLU  21  71.664  -3.045  -5.408
  164    HA   GLU  21           HA       GLU  21  72.822  -5.084  -7.068
  165   1HB   GLU  21           HB2      GLU  21  72.552  -4.809  -4.400
  166   2HB   GLU  21           HB1      GLU  21  71.182  -5.877  -4.709
  167   1HG   GLU  21           HG2      GLU  21  72.783  -7.355  -6.024
  168   2HG   GLU  21           HG1      GLU  21  74.093  -6.374  -5.366
  169    H    LEU  22           HN       LEU  22  69.474  -4.459  -5.961
  170    HA   LEU  22           HA       LEU  22  68.312  -6.722  -7.274
  171   1HB   LEU  22           HB2      LEU  22  67.240  -5.050  -5.562
  172   2HB   LEU  22           HB1      LEU  22  66.815  -4.128  -7.006
  173    HG   LEU  22           HG       LEU  22  66.192  -7.077  -6.722
  174   1HD1  LEU  22          HD11      LEU  22  64.787  -4.678  -5.664
  175   2HD1  LEU  22          HD13      LEU  22  63.786  -5.906  -6.438
  176   3HD1  LEU  22          HD12      LEU  22  64.797  -6.334  -5.058
  177   1HD2  LEU  22          HD21      LEU  22  65.643  -4.909  -8.689
  178   2HD2  LEU  22          HD23      LEU  22  65.865  -6.635  -8.958
  179   3HD2  LEU  22          HD22      LEU  22  64.324  -6.035  -8.369
  180    H    ALA  23           HN       ALA  23  69.092  -3.453  -8.359
  181    HA   ALA  23           HA       ALA  23  67.801  -3.694 -10.939
  182   1HB   ALA  23           HB3      ALA  23  69.072  -1.658  -9.514
  183   2HB   ALA  23           HB2      ALA  23  70.136  -1.929 -10.893
  184   3HB   ALA  23           HB1      ALA  23  68.438  -1.530 -11.153
  185    H    ASN  24           HN       ASN  24  70.859  -4.744  -9.626
  186    HA   ASN  24           HA       ASN  24  72.062  -5.252 -12.250
  187   1HB   ASN  24           HB2      ASN  24  73.192  -4.693  -9.894
  188   2HB   ASN  24           HB1      ASN  24  73.177  -6.452  -9.757
  189   1HD2  ASN  24          HD22      ASN  24  76.261  -6.289 -11.525
  190   2HD2  ASN  24          HD21      ASN  24  75.534  -6.562 -10.016
  191    H    PHE  25           HN       PHE  25  69.748  -6.856 -10.396
  192    HA   PHE  25           HA       PHE  25  70.271  -9.548 -10.271
  193   1HB   PHE  25           HB2      PHE  25  67.907  -7.915 -10.667
  194   2HB   PHE  25           HB1      PHE  25  67.733  -9.443 -11.506
  195    HD1  PHE  25           HD2      PHE  25  68.614 -11.557 -10.088
  196    HD2  PHE  25           HD1      PHE  25  67.264  -7.836  -8.453
  197    HE1  PHE  25           HE2      PHE  25  68.117 -12.680  -7.936
  198    HE2  PHE  25           HE1      PHE  25  66.761  -8.946  -6.302
  199    HZ   PHE  25           HZ       PHE  25  67.191 -11.378  -6.038
  200    H    GLU  26           HN       GLU  26  69.421  -7.832 -13.287
  201    HA   GLU  26           HA       GLU  26  69.644  -8.480 -15.533
  202   1HB   GLU  26           HB2      GLU  26  72.055  -8.737 -14.409
  203   2HB   GLU  26           HB1      GLU  26  71.778 -10.433 -14.808
  204   1HG   GLU  26           HG2      GLU  26  71.550  -9.967 -17.124
  205   2HG   GLU  26           HG1      GLU  26  71.346  -8.238 -16.837
  206    H    LYS  27           HN       LYS  27  67.972 -10.211 -13.637
  207    HA   LYS  27           HA       LYS  27  67.545 -12.396 -15.576
  208   1HB   LYS  27           HB2      LYS  27  68.426 -12.802 -12.722
  209   2HB   LYS  27           HB1      LYS  27  67.389 -13.994 -13.506
  210   1HG   LYS  27           HG2      LYS  27  69.206 -13.707 -15.456
  211   2HG   LYS  27           HG1      LYS  27  70.225 -13.278 -14.082
  212   1HD   LYS  27           HD2      LYS  27  70.154 -15.390 -13.192
  213   2HD   LYS  27           HD1      LYS  27  68.508 -15.683 -13.753
  214   1HE   LYS  27           HE2      LYS  27  69.533 -15.712 -16.128
  215   2HE   LYS  27           HE1      LYS  27  71.083 -15.897 -15.308
  216   1HZ   LYS  27           HZ2      LYS  27  70.057 -17.807 -14.098
  217   2HZ   LYS  27           HZ1      LYS  27  68.731 -17.694 -15.153
  218   3HZ   LYS  27           HZ3      LYS  27  70.271 -18.055 -15.765
  219    H    ASN  28           HN       ASN  28  66.491 -12.021 -12.198
  220    HA   ASN  28           HA       ASN  28  63.690 -12.237 -12.949
  221   1HB   ASN  28           HB2      ASN  28  65.026 -12.755 -10.659
  222   2HB   ASN  28           HB1      ASN  28  64.448 -11.130 -10.290
  223   1HD2  ASN  28          HD22      ASN  28  61.828 -14.227 -10.337
  224   2HD2  ASN  28          HD21      ASN  28  63.479 -14.462 -10.656
  225    H    VAL  29           HN       VAL  29  65.963  -9.640 -12.393
  226    HA   VAL  29           HA       VAL  29  63.882  -7.670 -13.163
  227    HB   VAL  29           HB       VAL  29  65.864  -7.273 -10.922
  228   1HG1  VAL  29          HG13      VAL  29  64.840  -5.349 -12.404
  229   2HG1  VAL  29          HG12      VAL  29  63.427  -5.604 -11.379
  230   3HG1  VAL  29          HG11      VAL  29  64.972  -5.154 -10.658
  231   1HG2  VAL  29          HG21      VAL  29  63.121  -8.395 -10.957
  232   2HG2  VAL  29          HG23      VAL  29  64.404  -8.605  -9.765
  233   3HG2  VAL  29          HG22      VAL  29  63.403  -7.154  -9.738
  234    H    SER  30           HN       SER  30  65.265  -8.144 -15.184
  235    HA   SER  30           HA       SER  30  67.971  -6.984 -15.102
  236   1HB   SER  30           HB2      SER  30  67.884  -8.939 -16.388
  237   2HB   SER  30           HB1      SER  30  66.361  -8.486 -17.146
  238    HG   SER  30           HG       SER  30  67.824  -7.991 -18.664
  239    H    GLN  31           HN       GLN  31  65.736  -6.523 -17.835
  240    HA   GLN  31           HA       GLN  31  65.685  -3.606 -17.269
  241   1HB   GLN  31           HB2      GLN  31  66.915  -4.938 -19.674
  242   2HB   GLN  31           HB1      GLN  31  66.261  -3.304 -19.785
  243   1HG   GLN  31           HG2      GLN  31  67.811  -2.442 -18.243
  244   2HG   GLN  31           HG1      GLN  31  68.174  -4.035 -17.577
  245   1HE2  GLN  31          HE22      GLN  31  70.144  -4.918 -20.576
  246   2HE2  GLN  31          HE21      GLN  31  68.864  -5.591 -19.687
  247    H    ALA  32           HN       ALA  32  63.884  -2.581 -18.069
  248    HA   ALA  32           HA       ALA  32  61.813  -2.261 -19.118
  249   1HB   ALA  32           HB3      ALA  32  62.983  -3.588 -21.053
  250   2HB   ALA  32           HB2      ALA  32  62.013  -4.942 -20.475
  251   3HB   ALA  32           HB1      ALA  32  61.223  -3.470 -21.039
  252    H    ILE  33           HN       ILE  33  62.331  -3.710 -16.603
  253    HA   ILE  33           HA       ILE  33  60.126  -5.661 -16.515
  254    HB   ILE  33           HB       ILE  33  61.494  -4.937 -13.994
  255   1HG1  ILE  33          HG12      ILE  33  63.431  -4.898 -15.545
  256   2HG1  ILE  33          HG11      ILE  33  63.488  -6.315 -14.511
  257   1HG2  ILE  33          HG22      ILE  33  60.658  -7.465 -15.393
  258   2HG2  ILE  33          HG21      ILE  33  61.517  -7.457 -13.852
  259   3HG2  ILE  33          HG23      ILE  33  59.921  -6.716 -13.976
  260   1HD1  ILE  33          HD13      ILE  33  62.342  -6.319 -17.313
  261   2HD1  ILE  33          HD12      ILE  33  63.987  -6.817 -16.914
  262   3HD1  ILE  33          HD11      ILE  33  62.613  -7.721 -16.278
  263    H    HIS  34           HN       HIS  34  58.525  -5.410 -14.654
  264    HA   HIS  34           HA       HIS  34  57.395  -2.724 -14.787
  265   1HB   HIS  34           HB2      HIS  34  55.593  -3.682 -13.361
  266   2HB   HIS  34           HB1      HIS  34  55.902  -4.657 -14.796
  267    HD1  HIS  34           HD1      HIS  34  56.213  -4.683 -11.072
  268    HD2  HIS  34           HD2      HIS  34  57.166  -7.180 -14.270
  269    HE1  HIS  34           HE1      HIS  34  56.791  -6.938 -10.073
  270    H    LYS  35           HN       LYS  35  58.839  -4.732 -12.215
  271    HA   LYS  35           HA       LYS  35  58.691  -2.451 -10.335
  272   1HB   LYS  35           HB2      LYS  35  59.131  -5.374 -10.127
  273   2HB   LYS  35           HB1      LYS  35  60.029  -4.390  -8.972
  274   1HG   LYS  35           HG2      LYS  35  57.687  -3.178  -8.687
  275   2HG   LYS  35           HG1      LYS  35  57.070  -4.720  -9.281
  276   1HD   LYS  35           HD2      LYS  35  59.146  -4.799  -7.138
  277   2HD   LYS  35           HD1      LYS  35  57.515  -4.309  -6.679
  278   1HE   LYS  35           HE2      LYS  35  56.702  -6.390  -7.940
  279   2HE   LYS  35           HE1      LYS  35  58.388  -6.908  -7.948
  280   1HZ   LYS  35           HZ3      LYS  35  58.399  -6.676  -5.520
  281   2HZ   LYS  35           HZ2      LYS  35  56.746  -6.283  -5.554
  282   3HZ   LYS  35           HZ1      LYS  35  57.267  -7.823  -6.048
  283    H    TYR  36           HN       TYR  36  60.900  -3.658 -12.632
  284    HA   TYR  36           HA       TYR  36  63.389  -3.208 -11.314
  285   1HB   TYR  36           HB2      TYR  36  63.349  -4.461 -13.342
  286   2HB   TYR  36           HB1      TYR  36  62.577  -3.159 -14.240
  287    HD1  TYR  36           HD2      TYR  36  65.608  -3.551 -12.021
  288    HD2  TYR  36           HD1      TYR  36  64.000  -2.075 -15.720
  289    HE1  TYR  36           HE2      TYR  36  67.846  -2.688 -12.654
  290    HE2  TYR  36           HE1      TYR  36  66.237  -1.212 -16.351
  291    HH   TYR  36           HH       TYR  36  68.901  -2.116 -15.351
  292    H    ASN  37           HN       ASN  37  61.049  -0.998 -12.674
  293    HA   ASN  37           HA       ASN  37  62.883   1.263 -12.856
  294   1HB   ASN  37           HB2      ASN  37  59.952   0.818 -13.167
  295   2HB   ASN  37           HB1      ASN  37  60.467   2.450 -12.739
  296   1HD2  ASN  37          HD22      ASN  37  61.119   3.052 -16.149
  297   2HD2  ASN  37          HD21      ASN  37  60.331   3.552 -14.731
  298    H    ALA  38           HN       ALA  38  60.850  -0.166 -10.396
  299    HA   ALA  38           HA       ALA  38  60.607   1.992  -8.576
  300   1HB   ALA  38           HB3      ALA  38  59.586  -0.411  -8.523
  301   2HB   ALA  38           HB2      ALA  38  61.065  -0.845  -7.667
  302   3HB   ALA  38           HB1      ALA  38  59.979   0.368  -6.990
  303    H    TYR  39           HN       TYR  39  63.227  -0.354  -9.027
  304    HA   TYR  39           HA       TYR  39  64.756   0.677  -6.745
  305   1HB   TYR  39           HB2      TYR  39  66.052  -1.006  -8.861
  306   2HB   TYR  39           HB1      TYR  39  66.253  -1.063  -7.112
  307    HD1  TYR  39           HD1      TYR  39  64.072  -1.732  -5.760
  308    HD2  TYR  39           HD2      TYR  39  64.770  -2.640  -9.895
  309    HE1  TYR  39           HE1      TYR  39  62.377  -3.530  -5.651
  310    HE2  TYR  39           HE2      TYR  39  63.082  -4.443  -9.789
  311    HH   TYR  39           HH       TYR  39  62.141  -5.952  -7.578
  312    H    ARG  40           HN       ARG  40  64.506   1.388 -10.124
  313    HA   ARG  40           HA       ARG  40  67.121   2.582 -10.430
  314   1HB   ARG  40           HB2      ARG  40  65.733   1.757 -12.320
  315   2HB   ARG  40           HB1      ARG  40  64.568   3.042 -12.000
  316   1HG   ARG  40           HG2      ARG  40  66.064   3.755 -13.793
  317   2HG   ARG  40           HG1      ARG  40  66.388   4.723 -12.355
  318   1HD   ARG  40           HD2      ARG  40  68.463   3.815 -12.046
  319   2HD   ARG  40           HD1      ARG  40  67.955   2.216 -12.590
  320    HE   ARG  40           HE       ARG  40  67.907   3.747 -14.898
  321   1HH1  ARG  40          HH21      ARG  40  70.301   3.057 -12.444
  322   2HH1  ARG  40          HH22      ARG  40  71.624   3.225 -13.545
  323   1HH2  ARG  40          HH11      ARG  40  69.647   3.955 -16.288
  324   2HH2  ARG  40          HH12      ARG  40  71.260   3.728 -15.698
  325    H    LYS  41           HN       LYS  41  63.885   3.819  -9.625
  326    HA   LYS  41           HA       LYS  41  64.826   6.587  -9.461
  327   1HB   LYS  41           HB2      LYS  41  62.228   5.162  -9.038
  328   2HB   LYS  41           HB1      LYS  41  62.442   6.749  -8.296
  329   1HG   LYS  41           HG2      LYS  41  63.242   7.541 -10.605
  330   2HG   LYS  41           HG1      LYS  41  62.579   6.029 -11.227
  331   1HD   LYS  41           HD2      LYS  41  60.379   6.614 -10.208
  332   2HD   LYS  41           HD1      LYS  41  61.055   8.164  -9.705
  333   1HE   LYS  41           HE2      LYS  41  61.640   8.567 -12.149
  334   2HE   LYS  41           HE1      LYS  41  60.654   7.155 -12.530
  335   1HZ   LYS  41           HZ1      LYS  41  58.896   8.363 -11.104
  336   2HZ   LYS  41           HZ3      LYS  41  59.825   9.749 -11.412
  337   3HZ   LYS  41           HZ2      LYS  41  59.154   8.873 -12.704
  338    H    ALA  42           HN       ALA  42  63.811   4.068  -7.134
  339    HA   ALA  42           HA       ALA  42  64.197   5.635  -4.778
  340   1HB   ALA  42           HB2      ALA  42  64.213   2.672  -5.318
  341   2HB   ALA  42           HB1      ALA  42  64.599   3.296  -3.715
  342   3HB   ALA  42           HB3      ALA  42  63.023   3.626  -4.434
  343    H    ALA  43           HN       ALA  43  66.426   3.778  -6.760
  344    HA   ALA  43           HA       ALA  43  68.650   4.047  -4.863
  345   1HB   ALA  43           HB3      ALA  43  68.554   3.141  -7.755
  346   2HB   ALA  43           HB2      ALA  43  69.969   3.036  -6.706
  347   3HB   ALA  43           HB1      ALA  43  68.522   2.099  -6.333
  348    H    SER  44           HN       SER  44  67.297   5.933  -7.470
  349    HA   SER  44           HA       SER  44  69.722   7.424  -8.064
  350   1HB   SER  44           HB2      SER  44  67.578   7.169  -9.516
  351   2HB   SER  44           HB1      SER  44  66.920   8.453  -8.505
  352    HG   SER  44           HG       SER  44  68.234   8.910 -10.569
  353    H    VAL  45           HN       VAL  45  67.011   7.772  -5.838
  354    HA   VAL  45           HA       VAL  45  67.964  10.413  -4.915
  355    HB   VAL  45           HB       VAL  45  65.545  10.066  -5.115
  356   1HG1  VAL  45          HG13      VAL  45  66.148   7.504  -4.092
  357   2HG1  VAL  45          HG12      VAL  45  65.138   8.277  -2.877
  358   3HG1  VAL  45          HG11      VAL  45  64.564   8.129  -4.537
  359   1HG2  VAL  45          HG23      VAL  45  66.462  10.204  -2.220
  360   2HG2  VAL  45          HG22      VAL  45  66.287  11.572  -3.319
  361   3HG2  VAL  45          HG21      VAL  45  64.862  10.675  -2.795
  362    H    ILE  46           HN       ILE  46  68.070   7.047  -3.933
  363    HA   ILE  46           HA       ILE  46  68.849   7.581  -1.187
  364    HB   ILE  46           HB       ILE  46  68.450   5.214  -2.923
  365   1HG1  ILE  46          HG12      ILE  46  67.585   4.341  -0.691
  366   2HG1  ILE  46          HG11      ILE  46  67.958   5.934  -0.033
  367   1HG2  ILE  46          HG22      ILE  46  70.804   4.814  -2.249
  368   2HG2  ILE  46          HG21      ILE  46  70.327   4.986  -0.564
  369   3HG2  ILE  46          HG23      ILE  46  69.698   3.652  -1.529
  370   1HD1  ILE  46          HD13      ILE  46  66.580   6.767  -2.130
  371   2HD1  ILE  46          HD12      ILE  46  65.883   5.149  -2.041
  372   3HD1  ILE  46          HD11      ILE  46  65.751   6.243  -0.666
  373    H    ALA  47           HN       ALA  47  70.681   6.384  -4.024
  374    HA   ALA  47           HA       ALA  47  73.238   6.422  -2.845
  375   1HB   ALA  47           HB1      ALA  47  72.405   5.606  -5.197
  376   2HB   ALA  47           HB3      ALA  47  72.906   7.217  -5.711
  377   3HB   ALA  47           HB2      ALA  47  74.079   6.119  -4.982
  378    H    LYS  48           HN       LYS  48  71.408   9.073  -4.340
  379    HA   LYS  48           HA       LYS  48  73.570  11.009  -4.171
  380   1HB   LYS  48           HB2      LYS  48  70.653  11.057  -4.742
  381   2HB   LYS  48           HB1      LYS  48  71.309  12.534  -4.035
  382   1HG   LYS  48           HG2      LYS  48  73.214  12.122  -5.859
  383   2HG   LYS  48           HG1      LYS  48  71.903  11.270  -6.676
  384   1HD   LYS  48           HD2      LYS  48  70.685  13.187  -7.020
  385   2HD   LYS  48           HD1      LYS  48  71.255  13.941  -5.532
  386   1HE   LYS  48           HE2      LYS  48  73.202  14.731  -6.514
  387   2HE   LYS  48           HE1      LYS  48  73.226  13.458  -7.734
  388   1HZ   LYS  48           HZ1      LYS  48  71.040  15.424  -7.727
  389   2HZ   LYS  48           HZ3      LYS  48  72.542  15.854  -8.386
  390   3HZ   LYS  48           HZ2      LYS  48  71.683  14.534  -9.023
  391    H    TYR  49           HN       TYR  49  70.961   9.895  -2.112
  392    HA   TYR  49           HA       TYR  49  71.118  11.740   0.040
  393   1HB   TYR  49           HB2      TYR  49  69.582   9.590  -0.541
  394   2HB   TYR  49           HB1      TYR  49  70.692   8.825   0.580
  395    HD1  TYR  49           HD2      TYR  49  69.353  12.324   0.625
  396    HD2  TYR  49           HD1      TYR  49  69.415   8.460   2.502
  397    HE1  TYR  49           HE2      TYR  49  68.073  13.226   2.533
  398    HE2  TYR  49           HE1      TYR  49  68.113   9.372   4.404
  399    HH   TYR  49           HH       TYR  49  67.748  11.633   5.465
  400    HA   PRO  50           HA       PRO  50  75.044  10.758   1.844
  401   1HB   PRO  50           HB2      PRO  50  74.097  10.806   4.578
  402   2HB   PRO  50           HB1      PRO  50  75.054  12.024   3.723
  403   1HG   PRO  50           HG2      PRO  50  72.328  12.252   4.496
  404   2HG   PRO  50           HG1      PRO  50  73.230  13.365   3.458
  405   1HD   PRO  50           HD2      PRO  50  71.182  11.436   2.719
  406   2HD   PRO  50           HD1      PRO  50  71.898  12.714   1.722
  407    H    HIS  51           HN       HIS  51  72.261   8.746   2.254
  408    HA   HIS  51           HA       HIS  51  72.139   6.445   2.517
  409   1HB   HIS  51           HB2      HIS  51  75.085   6.319   3.141
  410   2HB   HIS  51           HB1      HIS  51  74.048   5.061   2.478
  411    HD1  HIS  51           HD1      HIS  51  76.584   7.267   1.404
  412    HD2  HIS  51           HD2      HIS  51  72.903   6.158  -0.208
  413    HE1  HIS  51           HE1      HIS  51  76.687   7.821  -1.065
  414    H    LYS  52           HN       LYS  52  72.552   4.779   4.278
  415    HA   LYS  52           HA       LYS  52  72.319   4.167   6.492
  416   1HB   LYS  52           HB2      LYS  52  74.626   5.218   6.630
  417   2HB   LYS  52           HB1      LYS  52  73.836   6.706   7.153
  418   1HG   LYS  52           HG2      LYS  52  73.130   4.171   8.573
  419   2HG   LYS  52           HG1      LYS  52  74.692   4.913   8.926
  420   1HD   LYS  52           HD2      LYS  52  73.196   7.118   9.080
  421   2HD   LYS  52           HD1      LYS  52  71.940   5.941   9.466
  422   1HE   LYS  52           HE2      LYS  52  72.949   5.301  11.441
  423   2HE   LYS  52           HE1      LYS  52  74.571   5.661  10.850
  424   1HZ   LYS  52           HZ3      LYS  52  73.900   8.058  10.916
  425   2HZ   LYS  52           HZ2      LYS  52  72.505   7.580  11.761
  426   3HZ   LYS  52           HZ1      LYS  52  74.042   7.308  12.431
  427    H    ILE  53           HN       ILE  53  70.448   4.295   7.525
  428    HA   ILE  53           HA       ILE  53  69.409   6.870   8.488
  429    HB   ILE  53           HB       ILE  53  67.159   6.457   7.369
  430   1HG1  ILE  53          HG12      ILE  53  68.489   4.995   5.165
  431   2HG1  ILE  53          HG11      ILE  53  68.266   4.052   6.634
  432   1HG2  ILE  53          HG21      ILE  53  69.066   8.075   6.631
  433   2HG2  ILE  53          HG23      ILE  53  69.304   6.930   5.311
  434   3HG2  ILE  53          HG22      ILE  53  67.753   7.746   5.501
  435   1HD1  ILE  53          HD13      ILE  53  65.834   5.170   6.518
  436   2HD1  ILE  53          HD12      ILE  53  66.222   5.206   4.799
  437   3HD1  ILE  53          HD11      ILE  53  66.212   3.672   5.669
  438    H    LYS  54           HN       LYS  54  69.211   6.173  10.578
  439    HA   LYS  54           HA       LYS  54  68.487   3.525  11.379
  440   1HB   LYS  54           HB2      LYS  54  68.192   6.133  12.903
  441   2HB   LYS  54           HB1      LYS  54  68.143   4.519  13.614
  442   1HG   LYS  54           HG2      LYS  54  70.460   4.161  12.568
  443   2HG   LYS  54           HG1      LYS  54  70.485   5.904  12.300
  444   1HD   LYS  54           HD2      LYS  54  69.726   5.875  14.889
  445   2HD   LYS  54           HD1      LYS  54  70.657   4.377  14.847
  446   1HE   LYS  54           HE2      LYS  54  72.644   5.465  14.322
  447   2HE   LYS  54           HE1      LYS  54  71.817   6.840  13.589
  448   1HZ   LYS  54           HZ2      LYS  54  70.946   7.234  15.958
  449   2HZ   LYS  54           HZ1      LYS  54  72.234   6.238  16.444
  450   3HZ   LYS  54           HZ3      LYS  54  72.547   7.675  15.599
  451    H    SER  55           HN       SER  55  66.525   6.523  11.542
  452    HA   SER  55           HA       SER  55  64.071   5.072  12.041
  453   1HB   SER  55           HB2      SER  55  64.676   7.926  11.254
  454   2HB   SER  55           HB1      SER  55  63.027   7.340  11.450
  455    HG   SER  55           HG       SER  55  63.342   7.684  13.493
  456    H    GLY  56           HN       GLY  56  62.477   4.460  10.590
  457   1HA   GLY  56           HA2      GLY  56  63.259   4.082   7.820
  458   2HA   GLY  56           HA1      GLY  56  61.694   3.661   8.517
  459    H    ALA  57           HN       ALA  57  61.495   6.537   9.559
  460    HA   ALA  57           HA       ALA  57  59.875   7.610   7.500
  461   1HB   ALA  57           HB3      ALA  57  59.787   8.330   9.876
  462   2HB   ALA  57           HB2      ALA  57  61.345   9.130   9.673
  463   3HB   ALA  57           HB1      ALA  57  59.938   9.700   8.776
  464    H    GLU  58           HN       GLU  58  63.337   7.650   7.840
  465    HA   GLU  58           HA       GLU  58  63.999   9.999   6.395
  466   1HB   GLU  58           HB2      GLU  58  65.436   7.327   6.444
  467   2HB   GLU  58           HB1      GLU  58  66.134   8.849   5.888
  468   1HG   GLU  58           HG2      GLU  58  65.233   9.634   8.312
  469   2HG   GLU  58           HG1      GLU  58  65.551   7.933   8.655
  470    H    ALA  59           HN       ALA  59  63.612   6.656   5.150
  471    HA   ALA  59           HA       ALA  59  63.953   7.279   2.399
  472   1HB   ALA  59           HB2      ALA  59  62.435   5.099   3.832
  473   2HB   ALA  59           HB1      ALA  59  62.466   5.195   2.072
  474   3HB   ALA  59           HB3      ALA  59  63.969   4.981   2.969
  475    H    LYS  60           HN       LYS  60  61.267   7.887   4.530
  476    HA   LYS  60           HA       LYS  60  59.199   8.087   2.545
  477   1HB   LYS  60           HB2      LYS  60  59.184   8.114   5.239
  478   2HB   LYS  60           HB1      LYS  60  59.088   9.850   4.940
  479   1HG   LYS  60           HG2      LYS  60  57.006   9.712   3.979
  480   2HG   LYS  60           HG1      LYS  60  57.310   8.110   3.305
  481   1HD   LYS  60           HD2      LYS  60  57.365   7.462   5.907
  482   2HD   LYS  60           HD1      LYS  60  56.305   8.869   6.007
  483   1HE   LYS  60           HE2      LYS  60  55.007   7.798   4.049
  484   2HE   LYS  60           HE1      LYS  60  55.891   6.323   4.440
  485   1HZ   LYS  60           HZ2      LYS  60  55.097   6.813   6.824
  486   2HZ   LYS  60           HZ1      LYS  60  53.933   7.797   6.073
  487   3HZ   LYS  60           HZ3      LYS  60  53.997   6.140   5.717
  488    H    LYS  61           HN       LYS  61  61.339  10.546   4.033
  489    HA   LYS  61           HA       LYS  61  60.255  12.738   2.521
  490   1HB   LYS  61           HB2      LYS  61  62.307  13.953   3.203
  491   2HB   LYS  61           HB1      LYS  61  61.547  13.132   4.564
  492   1HG   LYS  61           HG2      LYS  61  63.235  11.564   4.739
  493   2HG   LYS  61           HG1      LYS  61  63.642  11.650   3.026
  494   1HD   LYS  61           HD2      LYS  61  64.081  14.078   4.721
  495   2HD   LYS  61           HD1      LYS  61  65.230  12.746   4.841
  496   1HE   LYS  61           HE2      LYS  61  66.016  13.049   2.707
  497   2HE   LYS  61           HE1      LYS  61  64.450  13.582   2.095
  498   1HZ   LYS  61           HZ2      LYS  61  66.147  15.205   3.907
  499   2HZ   LYS  61           HZ1      LYS  61  66.170  15.353   2.215
  500   3HZ   LYS  61           HZ3      LYS  61  64.752  15.707   3.077
  501    H    LEU  62           HN       LEU  62  62.611  10.267   1.763
  502    HA   LEU  62           HA       LEU  62  63.910  11.619  -0.413
  503   1HB   LEU  62           HB2      LEU  62  63.450   8.637  -0.125
  504   2HB   LEU  62           HB1      LEU  62  64.701   9.424  -1.084
  505    HG   LEU  62           HG       LEU  62  64.448   9.584   1.936
  506   1HD1  LEU  62          HD11      LEU  62  65.193   7.373   0.855
  507   2HD1  LEU  62          HD13      LEU  62  66.631   8.251   0.335
  508   3HD1  LEU  62          HD12      LEU  62  66.276   8.079   2.054
  509   1HD2  LEU  62          HD23      LEU  62  66.224  10.901  -0.085
  510   2HD2  LEU  62          HD22      LEU  62  65.553  11.556   1.408
  511   3HD2  LEU  62          HD21      LEU  62  66.919  10.443   1.470
  512    HA   PRO  63           HA       PRO  63  60.149  11.583  -2.941
  513   1HB   PRO  63           HB2      PRO  63  61.632  12.580  -5.194
  514   2HB   PRO  63           HB1      PRO  63  60.513  13.466  -4.150
  515   1HG   PRO  63           HG2      PRO  63  63.388  13.684  -4.241
  516   2HG   PRO  63           HG1      PRO  63  62.262  14.580  -3.214
  517   1HD   PRO  63           HD2      PRO  63  64.071  12.481  -2.431
  518   2HD   PRO  63           HD1      PRO  63  62.931  13.375  -1.407
  519    H    GLY  64           HN       GLY  64  59.387  10.004  -4.335
  520   1HA   GLY  64           HA2      GLY  64  59.539   8.418  -6.132
  521   2HA   GLY  64           HA1      GLY  64  61.296   8.512  -6.035
  522    H    VAL  65           HN       VAL  65  60.937   8.199  -2.958
  523    HA   VAL  65           HA       VAL  65  60.439   5.247  -3.007
  524    HB   VAL  65           HB       VAL  65  62.259   6.127  -0.868
  525   1HG1  VAL  65          HG13      VAL  65  61.932   3.918  -2.818
  526   2HG1  VAL  65          HG12      VAL  65  63.588   4.241  -2.302
  527   3HG1  VAL  65          HG11      VAL  65  62.351   3.860  -1.107
  528   1HG2  VAL  65          HG21      VAL  65  62.938   6.747  -3.729
  529   2HG2  VAL  65          HG23      VAL  65  63.350   7.639  -2.265
  530   3HG2  VAL  65          HG22      VAL  65  64.204   6.149  -2.661
  531    H    GLY  66           HN       GLY  66  59.158   4.453  -1.360
  532   1HA   GLY  66           HA2      GLY  66  58.561   4.951   1.132
  533   2HA   GLY  66           HA1      GLY  66  57.993   6.489   0.482
  534    H    THR  67           HN       THR  67  57.681   3.099  -0.627
  535    HA   THR  67           HA       THR  67  54.772   3.180  -0.231
  536    HB   THR  67           HB       THR  67  55.614   2.568  -3.034
  537    HG1  THR  67           HG1      THR  67  56.583   4.533  -2.752
  538   1HG2  THR  67          HG21      THR  67  53.238   2.508  -1.782
  539   2HG2  THR  67          HG23      THR  67  53.235   4.196  -2.292
  540   3HG2  THR  67          HG22      THR  67  53.391   2.913  -3.491
  541    H    LYS  68           HN       LYS  68  57.489   1.465  -1.789
  542    HA   LYS  68           HA       LYS  68  56.518  -1.044  -0.519
  543   1HB   LYS  68           HB2      LYS  68  55.906  -0.651  -3.096
  544   2HB   LYS  68           HB1      LYS  68  57.557  -1.236  -3.312
  545   1HG   LYS  68           HG2      LYS  68  57.061  -3.342  -2.537
  546   2HG   LYS  68           HG1      LYS  68  55.827  -2.755  -1.421
  547   1HD   LYS  68           HD2      LYS  68  54.468  -3.743  -3.010
  548   2HD   LYS  68           HD1      LYS  68  54.586  -2.120  -3.691
  549   1HE   LYS  68           HE2      LYS  68  55.958  -2.790  -5.409
  550   2HE   LYS  68           HE1      LYS  68  56.724  -4.052  -4.444
  551   1HZ   LYS  68           HZ2      LYS  68  53.897  -4.241  -5.289
  552   2HZ   LYS  68           HZ1      LYS  68  55.162  -4.781  -6.287
  553   3HZ   LYS  68           HZ3      LYS  68  54.929  -5.484  -4.761
  554    H    ILE  69           HN       ILE  69  59.122   0.464  -2.446
  555    HA   ILE  69           HA       ILE  69  61.134  -1.421  -1.550
  556    HB   ILE  69           HB       ILE  69  61.532   1.349  -2.714
  557   1HG1  ILE  69          HG12      ILE  69  61.368  -1.329  -4.132
  558   2HG1  ILE  69          HG11      ILE  69  60.068  -0.136  -4.107
  559   1HG2  ILE  69          HG21      ILE  69  63.540   0.335  -1.683
  560   2HG2  ILE  69          HG23      ILE  69  63.304  -1.115  -2.659
  561   3HG2  ILE  69          HG22      ILE  69  63.699   0.418  -3.437
  562   1HD1  ILE  69          HD11      ILE  69  62.709   0.931  -4.898
  563   2HD1  ILE  69          HD13      ILE  69  62.013  -0.234  -6.023
  564   3HD1  ILE  69          HD12      ILE  69  61.118   1.225  -5.599
  565    H    ALA  70           HN       ALA  70  59.745   1.448  -0.167
  566    HA   ALA  70           HA       ALA  70  61.892   2.411   1.407
  567   1HB   ALA  70           HB1      ALA  70  59.261   3.084   1.124
  568   2HB   ALA  70           HB3      ALA  70  59.251   2.371   2.736
  569   3HB   ALA  70           HB2      ALA  70  60.314   3.732   2.381
  570    H    GLU  71           HN       GLU  71  59.772  -0.366   1.877
  571    HA   GLU  71           HA       GLU  71  60.556  -0.911   4.604
  572   1HB   GLU  71           HB2      GLU  71  58.568  -1.867   3.118
  573   2HB   GLU  71           HB1      GLU  71  59.755  -3.116   2.739
  574   1HG   GLU  71           HG2      GLU  71  60.080  -3.561   5.133
  575   2HG   GLU  71           HG1      GLU  71  58.932  -2.284   5.537
  576    H    LYS  72           HN       LYS  72  61.797  -1.835   1.431
  577    HA   LYS  72           HA       LYS  72  63.698  -3.783   2.361
  578   1HB   LYS  72           HB2      LYS  72  62.846  -3.255  -0.066
  579   2HB   LYS  72           HB1      LYS  72  64.177  -2.098  -0.082
  580   1HG   LYS  72           HG2      LYS  72  65.798  -3.811   0.304
  581   2HG   LYS  72           HG1      LYS  72  64.553  -4.993   0.706
  582   1HD   LYS  72           HD2      LYS  72  63.721  -4.316  -1.768
  583   2HD   LYS  72           HD1      LYS  72  65.449  -4.019  -1.957
  584   1HE   LYS  72           HE2      LYS  72  65.474  -6.259  -2.441
  585   2HE   LYS  72           HE1      LYS  72  65.548  -6.399  -0.685
  586   1HZ   LYS  72           HZ1      LYS  72  63.098  -6.507  -0.680
  587   2HZ   LYS  72           HZ3      LYS  72  63.112  -6.524  -2.376
  588   3HZ   LYS  72           HZ2      LYS  72  63.817  -7.804  -1.509
  589    H    ILE  73           HN       ILE  73  63.734  -0.279   2.157
  590    HA   ILE  73           HA       ILE  73  66.574   0.099   2.391
  591    HB   ILE  73           HB       ILE  73  64.453   1.950   3.518
  592   1HG1  ILE  73          HG12      ILE  73  63.799   1.409   1.214
  593   2HG1  ILE  73          HG11      ILE  73  64.444   3.043   1.277
  594   1HG2  ILE  73          HG21      ILE  73  67.134   2.152   3.685
  595   2HG2  ILE  73          HG23      ILE  73  66.893   2.905   2.109
  596   3HG2  ILE  73          HG22      ILE  73  66.082   3.559   3.531
  597   1HD1  ILE  73          HD12      ILE  73  66.728   1.735   0.749
  598   2HD1  ILE  73          HD11      ILE  73  65.595   0.602   0.012
  599   3HD1  ILE  73          HD13      ILE  73  65.643   2.280  -0.530
  600    H    ASP  74           HN       ASP  74  63.967   0.097   4.831
  601    HA   ASP  74           HA       ASP  74  65.711   0.267   7.106
  602   1HB   ASP  74           HB2      ASP  74  63.056   0.486   6.840
  603   2HB   ASP  74           HB1      ASP  74  63.122  -1.212   7.313
  604    H    GLU  75           HN       GLU  75  64.729  -2.374   5.027
  605    HA   GLU  75           HA       GLU  75  65.278  -4.584   6.738
  606   1HB   GLU  75           HB2      GLU  75  64.255  -4.542   4.344
  607   2HB   GLU  75           HB1      GLU  75  65.930  -4.599   3.793
  608   1HG   GLU  75           HG2      GLU  75  66.320  -6.672   4.968
  609   2HG   GLU  75           HG1      GLU  75  64.746  -6.576   5.759
  610    H    PHE  76           HN       PHE  76  67.383  -2.578   4.715
  611    HA   PHE  76           HA       PHE  76  69.792  -4.099   5.073
  612   1HB   PHE  76           HB2      PHE  76  69.639  -1.099   4.759
  613   2HB   PHE  76           HB1      PHE  76  70.962  -2.160   4.289
  614    HD1  PHE  76           HD2      PHE  76  69.619  -4.357   2.890
  615    HD2  PHE  76           HD1      PHE  76  68.794  -0.142   2.810
  616    HE1  PHE  76           HE2      PHE  76  68.619  -4.593   0.635
  617    HE2  PHE  76           HE1      PHE  76  67.799  -0.378   0.554
  618    HZ   PHE  76           HZ       PHE  76  67.709  -2.606  -0.535
  619    H    LEU  77           HN       LEU  77  68.557  -1.219   6.709
  620    HA   LEU  77           HA       LEU  77  70.559  -1.576   8.855
  621   1HB   LEU  77           HB2      LEU  77  68.482   0.598   8.503
  622   2HB   LEU  77           HB1      LEU  77  69.883   0.637   9.575
  623    HG   LEU  77           HG       LEU  77  70.503   0.057   6.731
  624   1HD1  LEU  77          HD12      LEU  77  69.296   2.663   7.626
  625   2HD1  LEU  77          HD11      LEU  77  70.402   2.569   6.255
  626   3HD1  LEU  77          HD13      LEU  77  68.878   1.683   6.221
  627   1HD2  LEU  77          HD23      LEU  77  72.008   0.568   8.842
  628   2HD2  LEU  77          HD22      LEU  77  72.471   1.146   7.243
  629   3HD2  LEU  77          HD21      LEU  77  71.695   2.242   8.385
  630    H    ALA  78           HN       ALA  78  68.193  -3.427   8.521
  631    HA   ALA  78           HA       ALA  78  66.523  -2.815  10.870
  632   1HB   ALA  78           HB1      ALA  78  66.536  -4.953   8.754
  633   2HB   ALA  78           HB3      ALA  78  65.621  -5.196  10.242
  634   3HB   ALA  78           HB2      ALA  78  65.247  -3.831   9.189
  635    H    THR  79           HN       THR  79  69.112  -5.034   9.932
  636    HA   THR  79           HA       THR  79  69.088  -6.193  12.680
  637    HB   THR  79           HB       THR  79  70.885  -7.190  10.495
  638    HG1  THR  79           HG1      THR  79  69.154  -8.456   9.744
  639   1HG2  THR  79          HG23      THR  79  70.955  -8.105  12.815
  640   2HG2  THR  79          HG22      THR  79  69.266  -8.584  12.644
  641   3HG2  THR  79          HG21      THR  79  70.499  -9.318  11.618
  642    H    GLY  80           HN       GLY  80  70.099  -3.490  12.032
  643   1HA   GLY  80           HA2      GLY  80  72.940  -3.897  12.880
  644   2HA   GLY  80           HA1      GLY  80  72.497  -2.637  11.728
  645    H    LYS  81           HN       LYS  81  70.487  -3.486  14.482
  646    HA   LYS  81           HA       LYS  81  70.877  -0.729  15.529
  647   1HB   LYS  81           HB2      LYS  81  68.693  -2.754  15.642
  648   2HB   LYS  81           HB1      LYS  81  68.873  -1.695  17.042
  649   1HG   LYS  81           HG2      LYS  81  68.940  -0.470  14.310
  650   2HG   LYS  81           HG1      LYS  81  67.381  -0.956  14.977
  651   1HD   LYS  81           HD2      LYS  81  67.779   0.405  16.974
  652   2HD   LYS  81           HD1      LYS  81  69.376   0.852  16.373
  653   1HE   LYS  81           HE2      LYS  81  68.196   2.676  15.609
  654   2HE   LYS  81           HE1      LYS  81  67.931   1.595  14.241
  655   1HZ   LYS  81           HZ3      LYS  81  66.095   1.598  16.550
  656   2HZ   LYS  81           HZ2      LYS  81  65.916   2.730  15.296
  657   3HZ   LYS  81           HZ1      LYS  81  65.809   1.066  14.965
  658    H    LEU  82           HN       LEU  82  72.911  -2.775  15.947
  659    HA   LEU  82           HA       LEU  82  72.699  -3.926  18.573
  660   1HB   LEU  82           HB2      LEU  82  75.028  -3.294  16.757
  661   2HB   LEU  82           HB1      LEU  82  75.271  -3.977  18.365
  662    HG   LEU  82           HG       LEU  82  73.538  -5.762  17.651
  663   1HD1  LEU  82          HD11      LEU  82  74.097  -4.306  15.095
  664   2HD1  LEU  82          HD13      LEU  82  73.886  -6.055  15.032
  665   3HD1  LEU  82          HD12      LEU  82  72.595  -5.033  15.662
  666   1HD2  LEU  82          HD21      LEU  82  76.182  -5.843  17.764
  667   2HD2  LEU  82          HD23      LEU  82  75.285  -7.166  17.018
  668   3HD2  LEU  82          HD22      LEU  82  76.044  -5.936  16.008
  669    H    ARG  83           HN       ARG  83  74.172  -3.241  20.415
  670    HA   ARG  83           HA       ARG  83  73.728  -0.405  20.981
  671   1HB   ARG  83           HB2      ARG  83  75.181  -2.520  22.603
  672   2HB   ARG  83           HB1      ARG  83  74.670  -0.936  23.189
  673   1HG   ARG  83           HG2      ARG  83  72.296  -1.667  22.407
  674   2HG   ARG  83           HG1      ARG  83  72.965  -3.297  22.421
  675   1HD   ARG  83           HD2      ARG  83  72.957  -3.393  24.677
  676   2HD   ARG  83           HD1      ARG  83  73.640  -1.780  24.844
  677    HE   ARG  83           HE       ARG  83  70.903  -2.492  25.227
  678   1HH1  ARG  83          HH21      ARG  83  72.772  -0.016  23.629
  679   2HH1  ARG  83          HH22      ARG  83  71.420   1.049  23.483
  680   1HH2  ARG  83          HH11      ARG  83  69.188  -1.079  25.043
  681   2HH2  ARG  83          HH12      ARG  83  69.413   0.461  24.284
  682    H    LYS  84           HN       LYS  84  75.782   0.644  22.207
  683    HA   LYS  84           HA       LYS  84  78.154   0.270  20.422
  684   1HB   LYS  84           HB2      LYS  84  76.623   2.415  20.164
  685   2HB   LYS  84           HB1      LYS  84  77.509   2.954  21.591
  686   1HG   LYS  84           HG2      LYS  84  79.593   2.861  20.477
  687   2HG   LYS  84           HG1      LYS  84  78.948   1.859  19.176
  688   1HD   LYS  84           HD2      LYS  84  77.807   4.599  19.647
  689   2HD   LYS  84           HD1      LYS  84  79.319   4.422  18.755
  690   1HE   LYS  84           HE2      LYS  84  78.068   2.662  17.343
  691   2HE   LYS  84           HE1      LYS  84  76.596   3.324  18.055
  692   1HZ   LYS  84           HZ2      LYS  84  78.619   5.051  16.763
  693   2HZ   LYS  84           HZ1      LYS  84  77.370   4.318  15.874
  694   3HZ   LYS  84           HZ3      LYS  84  76.996   5.408  17.118
  695    H    LEU  85           HN       LEU  85  77.582  -0.838  23.104
  696    HA   LEU  85           HA       LEU  85  78.710  -1.158  25.133
  697   1HB   LEU  85           HB2      LEU  85  80.758  -0.019  23.297
  698   2HB   LEU  85           HB1      LEU  85  81.137   0.015  25.020
  699    HG   LEU  85           HG       LEU  85  80.235  -2.498  24.879
  700   1HD1  LEU  85          HD11      LEU  85  80.946  -1.695  22.083
  701   2HD1  LEU  85          HD13      LEU  85  81.380  -3.316  22.626
  702   3HD1  LEU  85          HD12      LEU  85  79.693  -2.801  22.645
  703   1HD2  LEU  85          HD23      LEU  85  82.489  -1.714  25.627
  704   2HD2  LEU  85          HD22      LEU  85  82.567  -3.210  24.696
  705   3HD2  LEU  85          HD21      LEU  85  83.003  -1.677  23.940
  706    H    GLU  86           HN       GLU  86  77.586   0.033  26.638
  707    HA   GLU  86           HA       GLU  86  77.892   2.968  26.733
  708   1HB   GLU  86           HB2      GLU  86  76.092   0.948  27.984
  709   2HB   GLU  86           HB1      GLU  86  76.390   2.429  28.896
  710   1HG   GLU  86           HG2      GLU  86  75.633   3.797  27.049
  711   2HG   GLU  86           HG1      GLU  86  75.513   2.386  25.996
  712    H    LYS  87           HN       LYS  87  79.248   4.003  28.131
  713    HA   LYS  87           HA       LYS  87  80.869   4.322  29.795
  714   1HB   LYS  87           HB2      LYS  87  78.915   3.562  31.224
  715   2HB   LYS  87           HB1      LYS  87  79.595   1.936  31.158
  716   1HG   LYS  87           HG2      LYS  87  81.416   2.492  32.467
  717   2HG   LYS  87           HG1      LYS  87  81.409   4.177  31.945
  718   1HD   LYS  87           HD2      LYS  87  79.391   4.601  33.283
  719   2HD   LYS  87           HD1      LYS  87  79.356   2.909  33.783
  720   1HE   LYS  87           HE2      LYS  87  80.398   4.285  35.530
  721   2HE   LYS  87           HE1      LYS  87  81.588   3.187  34.829
  722   1HZ   LYS  87           HZ2      LYS  87  81.210   5.975  33.897
  723   2HZ   LYS  87           HZ1      LYS  87  82.331   5.545  35.100
  724   3HZ   LYS  87           HZ3      LYS  87  82.491   4.921  33.531
   
  No H/Q in entry =         724