*HEADER    DE NOVO PROTEIN                         25-OCT-17   6BEU              
*TITLE     SOLUTION STRUCTURE OF DE NOVO MACROCYCLE DESIGN14_SS                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: (DCY)N(DVA)(DPR)DVYC(DPR)(DSG)KY(DVA)(DPR);                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_TAXID: 9606                                                 
*KEYWDS    MACROCYCLE, DE NOVO, DE NOVO PROTEIN                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.D.SHORTRIDGE,P.HOSSEINZADEH,F.PARDO-AVILA,G.VARANI,D.BAKER          
*REVDAT   1   27-DEC-17 6BEU    0                                                
# Restraints file 1: sergey_noe.tbl
!-------------------------------------------------------------------------!
!NOE Table for Sergey peptide !
!Updated 053117 mds
!Sergey, 14mer cys ASN val pro ASP VAL TYR CYS pro asn LYS TYR val pro
!Upper case L-Amino Acid
!Lower case D-Amino Acid
!
!! NOE binning !!
!strong     2.5 0.7 0.7
!medium     3.5 1.2 1.2
!weak       4.5 1.6 1.6
!very weak  5.0 2.0 2.0

!TOTAL NOES                = 203  
!long range          (j-i >6)  = 33
!short range    (2 > j-i < 5)  = 8
!sequential          (i to j)  = 65
!intraresidue        (i to i)  = 97

!------------------------------------------------------------------------!

!! BACKBONE NOEs !!
! HA-HN
 assign ( resid  1 and name HA   ) ( resid  1 and name HN   ) 3.5 1.2 1.2
 assign ( resid  1 and name HA   ) ( resid  2 and name HN   ) 3.5 1.2 1.2
 assign ( resid  2 and name HA   ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HA   ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HA   ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HA   ) ( resid  5 and name HN   ) 3.5 1.2 1.2
 assign ( resid  5 and name HA   ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HA   ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  7 and name HN   ) 3.5 1.2 1.2
 assign ( resid  6 and name HA   ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HA   ) ( resid  8 and name HN   ) 3.5 1.2 1.2
 assign ( resid  7 and name HA   ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HA   ) ( resid 13 and name HN   ) 3.5 1.2 1.2
 assign ( resid  8 and name HA   ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HA   ) ( resid 10 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HA   ) ( resid 10 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HA   ) ( resid 11 and name HN   ) 4.5 1.6 1.6
 assign ( resid 11 and name HA   ) ( resid 12 and name HN   ) 3.5 1.2 1.2
 assign ( resid 11 and name HA   ) ( resid 11 and name HN   ) 4.5 1.6 1.6
 assign ( resid 12 and name HA   ) ( resid 13 and name HN   ) 3.5 1.2 1.2
 assign ( resid 12 and name HA   ) ( resid 12 and name HN   ) 4.5 1.6 1.6
 assign ( resid 13 and name HA   ) ( resid 13 and name HN   ) 4.5 1.6 1.6
 assign ( resid 14 and name HA   ) ( resid  1 and name HN   ) 2.5 0.7 0.7
! assign ( resid 14 and name HA   ) ( resid  8 and name HN   ) 4.5 1.6 1.6

!HN-HN
 assign ( resid  3 and name HN   ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HN   ) ( resid 13 and name HN   ) 4.5 1.6 1.6 !was not in initial list but in experimental data
 assign ( resid  7 and name HN   ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid 11 and name HN   ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid 11 and name HN   ) ( resid 10 and name HN   ) 4.5 1.6 1.6
 assign ( resid 11 and name HN   ) ( resid 12 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HN   ) ( resid  6 and name HN   ) 4.5 1.6 1.6  !was not in initial list but in experimental data
 assign ( resid  7 and name HN   ) ( resid 13 and name HN   ) 4.5 1.6 1.6 !was not in initial list but in experimental data
 assign ( resid 12 and name HN   ) ( resid 13 and name HN   ) 4.5 1.6 1.6 !was not in initial list but in experimental data

!HA-HA 
 assign ( resid  7 and name HA   ) ( residue 12 and name HA ) 2.5 0.7 0.7 

!!side chain !!

 assign ( resid  1 and name HB2  ) ( resid  1 and name HN   ) 3.5 1.2 1.2
 assign ( resid  1 and name HB1  ) ( resid  1 and name HN   ) 3.5 1.2 1.2
 assign ( resid  1 and name HB2  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  1 and name HB1  ) ( resid  2 and name HN   ) 4.5 1.6 1.6

 assign ( resid  2 and name HB2  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HB1  ) ( resid  2 and name HD21 ) 4.5 1.6 1.6
 assign ( resid  2 and name HB1  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HB1  ) ( resid  3 and name HN   ) 4.5 1.6 1.6


 assign ( resid  3 and name HB   ) ( resid  3 and name HN   ) 4.5 1.6 1.6
! assign ( resid  3 and name HG2#) ( resid 14 and name HD1  ) 4.5 1.6 1.6
 assign ( resid  3 and name HG2# ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HG2# ) ( resid  4 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  3 and name HG2# ) ( resid  4 and name HD1  ) 4.5 1.6 1.6
 assign ( resid  3 and name HG2# ) ( resid 13 and name HB   ) 4.5 1.6 1.6
 assign ( resid  3 and name HG1# ) ( resid 14 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  3 and name HG1# ) ( resid 14 and name HD1  ) 4.5 1.6 1.6
 assign ( resid  3 and name HG1# ) ( resid  3 and name HN   ) 3.5 1.2 1.2
 assign ( resid  3 and name HG1# ) ( resid  4 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  3 and name HG1# ) ( resid  4 and name HD1  ) 4.5 1.6 1.6
! assign ( resid  3 and name HG1# ) ( resid  7 and name HD# ) 4.5 1.6 1.6
 assign ( resid  3 and name HG1# ) ( resid 13 and name HB   ) 4.5 1.6 1.6


 assign ( resid  4 and name HA   ) ( resid  4 and name HB1  ) 3.5 1.2 1.2
 assign ( resid  4 and name HA   ) ( resid  4 and name HB2  ) 3.5 1.2 1.2
 assign ( resid  4 and name HA   ) ( resid  4 and name HG2  ) 4.5 1.6 1.6
 assign ( resid  4 and name HA   ) ( resid  4 and name HG1  ) 4.5 1.6 1.6
 assign ( resid  4 and name HB2  ) ( resid  5 and name HB#  ) 4.5 1.6 1.6
 assign ( resid  4 and name HB2  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HB1  ) ( resid  5 and name HB#  ) 4.5 1.6 1.6
 assign ( resid  4 and name HB1  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HD2  ) ( resid  3 and name HA   ) 4.5 1.6 1.6
 assign ( resid  4 and name HD2  ) ( resid  4 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  4 and name HD2  ) ( resid  4 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  4 and name HD2  ) ( resid  4 and name HG2  ) 3.5 1.2 1.2
 assign ( resid  4 and name HD2  ) ( resid  4 and name HG1  ) 4.5 1.6 1.6
 assign ( resid  4 and name HD1  ) ( resid  3 and name HA   ) 4.5 1.6 1.6
 assign ( resid  4 and name HD1  ) ( resid  4 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  4 and name HD1  ) ( resid  4 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  4 and name HD1  ) ( resid  4 and name HG2  ) 4.5 1.6 1.6
 assign ( resid  4 and name HD1  ) ( resid  4 and name HG1  ) 3.5 1.2 1.2

 assign ( resid  5 and name HB#  ) ( resid  5 and name HN   ) 4.5 1.6 1.6


 assign ( resid  6 and name HB   ) ( resid  7 and name HN   ) 3.5 1.2 1.2
 assign ( resid  6 and name HA   ) ( resid 12 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid 12 and name HE2  ) 4.5 1.6 1.6
 assign ( resid  6 and name HB   ) ( resid  6 and name HA   ) 4.5 1.6 1.6
 assign ( resid  6 and name HB   ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HB   ) ( resid  7 and name HB#  ) 4.5 1.6 1.6
 assign ( resid  6 and name HB   ) ( resid  7 and name HD#  ) 4.5 1.6 1.6
 assign ( resid  6 and name HB   ) ( resid 12 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  6 and name HB   ) ( resid 12 and name HD1  ) 4.5 1.6 1.6
 assign ( resid  6 and name HB   ) ( resid 12 and name HE2  ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2# ) ( resid  4 and name HA   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2# ) ( resid  5 and name HB#  ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2# ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2# ) ( resid  6 and name HA   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2# ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2# ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2# ) ( resid 12 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2# ) ( resid 12 and name HE2  ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2# ) ( resid 12 and name HE1  ) 4.5 1.6 1.6
! assign ( resid  6 and name HG1#) ( resid  2 and name HD21 ) 4.5 1.6 1.6
 assign ( resid  6 and name HG1# ) ( resid  4 and name HA   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG1# ) ( resid  5 and name HB#  ) 4.5 1.6 1.6
 assign ( resid  6 and name HG1# ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG1# ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG1# ) ( resid  7 and name HB#  ) 4.5 1.6 1.6
 assign ( resid  6 and name HG1# ) ( resid  7 and name HD#  ) 4.5 1.6 1.6
 assign ( resid  6 and name HG1# ) ( resid  7 and name HE#  ) 4.5 1.6 1.6
 assign ( resid  6 and name HG1# ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG1# ) ( resid  8 and name HN   ) 4.5 1.6 1.6
! assign ( resid  6 and name HG1# ) ( resid 11 and name HN   4.5 1.6 1.6 !maybe artifact, very weak at 500ms on 500mhz not at shorter mixing time or 800mzh data 
 assign ( resid  6 and name HG1# ) ( resid 12 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  6 and name HG1# ) ( resid 12 and name HD1  ) 4.5 1.6 1.6
 assign ( resid  6 and name HG1# ) ( resid 12 and name HE2  ) 4.5 1.6 1.6
 assign ( resid  6 and name HG1# ) ( resid 12 and name HE1  ) 4.5 1.6 1.6
 assign ( resid  6 and name HN   ) ( resid  7 and name HD#  ) 4.5 1.6 1.6


 assign ( resid  7 and name HE#  ) ( resid  7 and name HD#  ) 2.5 0.7 0.7
 assign ( resid  7 and name HB#  ) ( resid  7 and name HD#  ) 3.5 1.2 1.2
 assign ( resid  7 and name HB#  ) ( resid  7 and name HE#  ) 3.5 1.2 1.2
 assign ( resid  7 and name HB#  ) ( resid  7 and name HN   ) 3.5 1.2 1.2
 assign ( resid  7 and name HD#  ) ( resid  7 and name HN   ) 3.5 1.2 1.2
 assign ( resid  7 and name HB#  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD#  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HE#  ) ( resid  7 and name HN   ) 4.5 1.6 1.6

 assign ( resid  8 and name HB2  ) ( resid  1 and name HA   ) 4.5 1.6 1.6
 assign ( resid  8 and name HB2  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HB2  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HB2  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HB1  ) ( resid  1 and name HA   ) 4.5 1.6 1.6
 assign ( resid  8 and name HB1  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HB1  ) ( resid  8 and name HN   ) 4.5 1.6 1.6


 assign ( resid  9 and name HA   ) ( resid  9 and name HB1  ) 3.5 1.2 1.2
 assign ( resid  9 and name HA   ) ( resid  9 and name HB2  ) 3.5 1.2 1.2
 assign ( resid  9 and name HA   ) ( resid  9 and name HG#  ) 4.5 1.6 1.6
 assign ( resid  9 and name HB2  ) ( resid 10 and name HN   ) 4.5 1.6 1.6
! assign ( resid  9 and name HD2  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HD2  ) ( resid  9 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  9 and name HD2  ) ( resid  9 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  9 and name HD2  ) ( resid  9 and name HG#  ) 3.5 1.2 1.2
 assign ( resid  9 and name HD2  ) ( resid 10 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HD1  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HD1  ) ( resid  9 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  9 and name HD1  ) ( resid  9 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  9 and name HD1  ) ( resid  9 and name HG#  ) 3.5 1.2 1.2
 assign ( resid  9 and name HD1  ) ( resid 10 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HG#  ) ( resid 10 and name HN   ) 4.5 1.6 1.6
! assign ( resid  9 and name HG# ) ( resid 12 and name HD1  ) 4.5 1.6 1.6


 assign ( resid 10 and name HD22 ) ( resid 10 and name HD21 ) 2.5 0.7 0.7
 assign ( resid 10 and name HB1  ) ( resid 10 and name HD21 ) 3.5 1.2 1.2
 assign ( resid 10 and name HB2  ) ( resid 10 and name HD21 ) 4.5 1.6 1.6
 assign ( resid 10 and name HB2  ) ( resid 10 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HB1  ) ( resid 10 and name HN   ) 4.5 1.6 1.6


 assign ( resid 11 and name HB#  ) ( resid 11 and name HN   ) 3.5 1.2 1.2
 assign ( resid 11 and name HB#  ) ( resid 12 and name HN   ) 3.5 1.2 1.2
 assign ( resid 11 and name HA   ) ( resid 12 and name HD1  ) 4.5 1.6 1.6
 assign ( resid 11 and name HA   ) ( resid 12 and name HE1  ) 4.5 1.6 1.6
 assign ( resid 11 and name HB#  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid 11 and name HB#  ) ( resid 11 and name HA   ) 4.5 1.6 1.6
 assign ( resid 11 and name HG#  ) ( resid 11 and name HA   ) 4.5 1.6 1.6
 assign ( resid 11 and name HG#  ) ( resid 11 and name HN   ) 4.5 1.6 1.6
 assign ( resid 11 and name HG#  ) ( resid 12 and name HN   ) 4.5 1.6 1.6


 assign ( resid 12 and name HA   ) ( resid 12 and name HD2  ) 3.5 1.2 1.2
 assign ( resid 12 and name HB2  ) ( resid 12 and name HD2  ) 3.5 1.2 1.2
 assign ( resid 12 and name HB2  ) ( resid 12 and name HN   ) 3.5 1.2 1.2
 assign ( resid 12 and name HB1  ) ( resid 12 and name HD2  ) 3.5 1.2 1.2
 assign ( resid 12 and name HB1  ) ( resid 12 and name HN   ) 3.5 1.2 1.2
 assign ( resid 12 and name HA   ) ( resid 12 and name HD1  ) 4.5 1.6 1.6
 assign ( resid 12 and name HA   ) ( resid 12 and name HE2  ) 4.5 1.6 1.6
 assign ( resid 12 and name HA   ) ( resid 12 and name HE1  ) 4.5 1.6 1.6
 assign ( resid 12 and name HB2  ) ( resid 12 and name HD1  ) 4.5 1.6 1.6
 assign ( resid 12 and name HB2  ) ( resid 12 and name HE2  ) 4.5 1.6 1.6
 assign ( resid 12 and name HB2  ) ( resid 12 and name HE1  ) 4.5 1.6 1.6
 assign ( resid 12 and name HB1  ) ( resid 12 and name HD1  ) 4.5 1.6 1.6
 assign ( resid 12 and name HB1  ) ( resid 12 and name HE2  ) 4.5 1.6 1.6
 assign ( resid 12 and name HB1  ) ( resid 12 and name HE1  ) 4.5 1.6 1.6
 assign ( resid 12 and name HB1  ) ( resid 13 and name HN   ) 4.5 1.6 1.6
 assign ( resid 12 and name HD2  ) ( resid 12 and name HD1  ) 4.5 1.6 1.6
 assign ( resid 12 and name HD2  ) ( resid 12 and name HE1  ) 4.5 1.6 1.6
 assign ( resid 12 and name HD2  ) ( resid 12 and name HN   ) 4.5 1.6 1.6
 assign ( resid 12 and name HD2  ) ( resid 13 and name HN   ) 4.5 1.6 1.6
 assign ( resid 12 and name HD1  ) ( resid 12 and name HN   ) 4.5 1.6 1.6
 assign ( resid 12 and name HE2  ) ( resid 12 and name HD1  ) 4.5 1.6 1.6
 assign ( resid 12 and name HE2  ) ( resid 12 and name HE1  ) 4.5 1.6 1.6
 assign ( resid 12 and name HE1  ) ( resid 12 and name HN   ) 4.5 1.6 1.6


! assign ( resid 13 and name HB   ) ( resid 12 and name HD1  ) 4.5 1.6 1.6 !too weak
! assign ( resid 13 and name HB   ) ( resid 12 and name HE1  ) 4.5 1.6 1.6
 assign ( resid 13 and name HB   ) ( resid 13 and name HN   ) 4.5 1.6 1.6
 assign ( resid 13 and name HG*  ) ( resid 14 and name HD2  ) 4.5 1.6 1.6
 assign ( resid 13 and name HG*  ) ( resid 14 and name HD1  ) 4.5 1.6 1.6
 assign ( resid 13 and name HG*  ) ( resid  3 and name HB   ) 4.5 1.6 1.6
 assign ( resid 13 and name HG*  ) ( resid  3 and name HG2# ) 4.5 1.6 1.6
 assign ( resid 13 and name HG*  ) ( resid  3 and name HG1# ) 4.5 1.6 1.6
 assign ( resid 13 and name HG*  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
! assign ( resid 13 and name HG* ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid 13 and name HG*  ) ( resid  6 and name HG1# ) 4.5 1.6 1.6
 assign ( resid 13 and name HG*  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid 13 and name HG*  ) ( resid 12 and name HA   ) 4.5 1.6 1.6
 assign ( resid 13 and name HG*  ) ( resid 12 and name HD2  ) 4.5 1.6 1.6
 assign ( resid 13 and name HG*  ) ( resid 12 and name HD1  ) 4.5 1.6 1.6
 assign ( resid 13 and name HG*  ) ( resid 12 and name HE2  ) 4.5 1.6 1.6
 assign ( resid 13 and name HG*  ) ( resid 12 and name HE1  ) 4.5 1.6 1.6
 assign ( resid 13 and name HG*  ) ( resid 13 and name HN   ) 4.5 1.6 1.6
 assign ( resid 13 and name HN   ) ( resid 12 and name HD2  ) 4.5 1.6 1.6
 assign ( resid 13 and name HN   ) ( resid 12 and name HE2  ) 4.5 1.6 1.6
 assign ( resid 13 and name HN   ) ( resid 12 and name HE1  ) 4.5 1.6 1.6

 assign ( resid 14 and name HA   ) ( resid 14 and name HB1  ) 3.5 1.2 1.2
 assign ( resid 14 and name HD2  ) ( resid 14 and name HG1  ) 3.5 1.2 1.2
 assign ( resid 14 and name HD2  ) ( resid 13 and name HA   ) 3.5 1.2 1.2
 assign ( resid 14 and name HD1  ) ( resid 14 and name HG2  ) 3.5 1.2 1.2
 assign ( resid 14 and name HD1  ) ( resid 13 and name HA   ) 3.5 1.2 1.2
! assign ( resid 14 and name HA   ) ( resid 14 and name HB2  ) 4.5 1.6 1.6
 assign ( resid 14 and name HA   ) ( resid 14 and name HG2  ) 4.5 1.6 1.6
 assign ( resid 14 and name HA   ) ( resid 14 and name HG1  ) 4.5 1.6 1.6
 assign ( resid 14 and name HB2  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid 14 and name HB1  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid 14 and name HD2  ) ( resid 14 and name HB2  ) 4.5 1.6 1.6
 assign ( resid 14 and name HD2  ) ( resid 14 and name HB1  ) 4.5 1.6 1.6
 assign ( resid 14 and name HD2  ) ( resid 14 and name HG2  ) 3.5 1.2 1.2
 assign ( resid 14 and name HD1  ) ( resid 14 and name HB2  ) 4.5 1.6 1.6
 assign ( resid 14 and name HD1  ) ( resid 14 and name HB1  ) 4.5 1.6 1.6
 assign ( resid 14 and name HD1  ) ( resid 14 and name HG1  ) 3.5 1.2 1.2
 assign ( resid 14 and name HG2  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid 14 and name HG1  ) ( resid  1 and name HN   ) 4.5 1.6 1.6

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   DCY   1           H1       DCY   1  28.540  20.950   7.530
    2    HA   DCY   1           HA       DCY   1  31.420  21.490   7.230
    3    HB2  DCY   1           HB1      DCY   1  29.680  19.060   7.720
    4    HB3  DCY   1           HB2      DCY   1  31.400  19.050   8.000
    5    H    ASN   2           H        ASN   2  32.760  21.500   8.840
    6    HA   ASN   2           HA       ASN   2  31.840  21.520  11.660
    7    HB2  ASN   2           HB2      ASN   2  34.440  20.850  10.370
    8    HB3  ASN   2           HB1      ASN   2  34.150  20.810  12.200
    9   HD21  ASN   2          1HD2      ASN   2  33.340  19.090   9.090
   10   HD22  ASN   2          2HD2      ASN   2  32.680  17.780   9.980
   11    H    DVA   3           H        DVA   3  31.240  23.640   9.950
   12    HA   DVA   3           HA       DVA   3  32.380  25.710  11.670
   13    HB   DVA   3           HB       DVA   3  30.690  27.280  10.580
   14   HG11  DVA   3          1HG1      DVA   3  30.100  26.010   8.620
   15   HG12  DVA   3          2HG1      DVA   3  28.690  26.220   9.710
   16   HG13  DVA   3          3HG1      DVA   3  29.480  24.670   9.480
   17   HG21  DVA   3          1HG2      DVA   3  28.980  26.500  12.030
   18   HG22  DVA   3          2HG2      DVA   3  30.510  26.270  12.800
   19   HG23  DVA   3          3HG2      DVA   3  29.700  24.820  12.140
   20    HA   DPR   4           HA       DPR   4  35.230  26.980   8.740
   21    HB2  DPR   4           HB1      DPR   4  35.610  29.590   8.900
   22    HB3  DPR   4           HB2      DPR   4  36.080  28.470  10.230
   23    HG2  DPR   4           HG1      DPR   4  33.530  30.050  10.060
   24    HG3  DPR   4           HG2      DPR   4  34.630  29.860  11.510
   25    HD2  DPR   4           HD1      DPR   4  32.320  28.430  11.110
   26    HD3  DPR   4           HD2      DPR   4  33.840  27.770  11.900
   27    H    ASP   5           H        ASP   5  35.230  27.660   6.590
   28    HA   ASP   5           HA       ASP   5  33.360  29.400   5.220
   29    HB2  ASP   5           HB2      ASP   5  35.410  30.790   4.500
   30    HB3  ASP   5           HB1      ASP   5  34.540  31.060   5.990
   31    H    VAL   6           H        VAL   6  33.710  26.620   4.820
   32    HA   VAL   6           HA       VAL   6  34.780  26.780   2.080
   33    HB   VAL   6           HB       VAL   6  35.860  24.510   2.470
   34   HG11  VAL   6          1HG1      VAL   6  36.980  26.870   3.080
   35   HG12  VAL   6          2HG1      VAL   6  37.750  25.200   3.230
   36   HG13  VAL   6          3HG1      VAL   6  37.050  26.230   4.610
   37   HG21  VAL   6          1HG2      VAL   6  35.250  24.650   5.410
   38   HG22  VAL   6          2HG2      VAL   6  36.030  23.440   4.430
   39   HG23  VAL   6          3HG2      VAL   6  34.330  23.640   4.200
   40    H    TYR   7           H        TYR   7  34.570  24.720   0.980
   41    HA   TYR   7           HA       TYR   7  31.810  24.030   0.620
   42    HB2  TYR   7           HB2      TYR   7  34.110  22.330  -0.390
   43    HB3  TYR   7           HB1      TYR   7  32.470  22.100  -0.650
   44    HD1  TYR   7           HD1      TYR   7  31.340  23.500  -2.290
   45    HD2  TYR   7           HD2      TYR   7  35.380  24.230  -1.140
   46    HE1  TYR   7           HE1      TYR   7  31.670  24.690  -4.450
   47    HE2  TYR   7           HE2      TYR   7  35.670  25.550  -3.330
   48    HH   TYR   7           HH       TYR   7  34.720  26.490  -5.090
   49    H    CYS   8           H        CYS   8  30.600  22.340   1.140
   50    HA   CYS   8           HA       CYS   8  31.510  19.950   2.660
   51    HB2  CYS   8           HB2      CYS   8  31.070  21.380   4.320
   52    HB3  CYS   8           HB1      CYS   8  29.490  21.830   3.730
   53    HA   DPR   9           HA       DPR   9  27.640  18.120   0.940
   54    HB2  DPR   9           HB1      DPR   9  29.880  17.000  -0.860
   55    HB3  DPR   9           HB2      DPR   9  28.300  16.250  -0.500
   56    HG2  DPR   9           HG1      DPR   9  30.410  15.580   1.070
   57    HG3  DPR   9           HG2      DPR   9  28.910  16.100   1.810
   58    HD2  DPR   9           HD1      DPR   9  31.310  17.840   1.490
   59    HD3  DPR   9           HD2      DPR   9  30.130  17.670   2.850
   60    H    DSG  10           H        DAN  10  30.000  19.890  -1.040
   61    HA   DSG  10           HA       DAN  10  28.390  19.770  -3.460
   62    HB2  DSG  10           HB1      DAN  10  30.510  20.100  -4.570
   63    HB3  DSG  10           HB2      DAN  10  30.400  18.710  -3.590
   64   HD21  DSG  10          1HD2      DAN  10  32.700  20.930  -4.580
   65   HD22  DSG  10          2HD2      DAN  10  33.570  21.130  -3.110
   66    H    LYS  11           H        LYS  11  28.700  22.060  -0.980
   67    HA   LYS  11           HA       LYS  11  29.380  24.140  -2.650
   68    HB2  LYS  11           HB2      LYS  11  27.500  25.600  -2.240
   69    HB3  LYS  11           HB1      LYS  11  27.020  23.960  -3.020
   70    HG2  LYS  11           HG2      LYS  11  26.170  23.230  -0.880
   71    HG3  LYS  11           HG1      LYS  11  26.810  24.620  -0.120
   72    HD2  LYS  11           HD2      LYS  11  24.360  24.420  -2.000
   73    HD3  LYS  11           HD1      LYS  11  24.440  24.880  -0.250
   74    HE2  LYS  11           HE2      LYS  11  25.620  26.980  -0.870
   75    HE3  LYS  11           HE1      LYS  11  25.640  26.420  -2.560
   76    HZ1  LYS  11           HZ1      LYS  11  23.090  27.020  -1.180
   77    HZ2  LYS  11           HZ2      LYS  11  23.400  26.690  -2.750
   78    HZ3  LYS  11           HZ3      LYS  11  23.960  28.030  -2.140
   79    H    TYR  12           H        TYR  12  29.630  26.300  -1.400
   80    HA   TYR  12           HA       TYR  12  31.050  25.970   1.060
   81    HB2  TYR  12           HB2      TYR  12  29.900  28.300  -0.450
   82    HB3  TYR  12           HB1      TYR  12  30.410  28.530   1.190
   83    HD1  TYR  12           HD1      TYR  12  32.160  26.890  -1.690
   84    HD2  TYR  12           HD2      TYR  12  32.180  29.610   1.580
   85    HE1  TYR  12           HE1      TYR  12  34.500  27.570  -2.200
   86    HE2  TYR  12           HE2      TYR  12  34.680  30.010   1.360
   87    HH   TYR  12           HH       TYR  12  36.530  29.430   0.060
   88    H    DVA  13           H        DVA  13  30.590  26.180   3.000
   89    HA   DVA  13           HA       DVA  13  27.820  26.510   3.830
   90    HB   DVA  13           HB       DVA  13  28.540  27.360   6.000
   91   HG11  DVA  13          1HG1      DVA  13  31.210  27.500   4.800
   92   HG12  DVA  13          2HG1      DVA  13  30.860  26.330   6.240
   93   HG13  DVA  13          3HG1      DVA  13  30.760  28.070   6.480
   94   HG21  DVA  13          1HG2      DVA  13  29.600  28.950   3.780
   95   HG22  DVA  13          2HG2      DVA  13  29.100  29.480   5.350
   96   HG23  DVA  13          3HG2      DVA  13  27.850  28.720   4.280
   97    HA   DPR  14           HA       DPR  14  27.500  22.560   5.600
   98    HB2  DPR  14           HB1      DPR  14  27.170  23.590   8.370
   99    HB3  DPR  14           HB2      DPR  14  26.270  22.340   7.430
  100    HG2  DPR  14           HG1      DPR  14  25.410  24.940   7.750
  101    HG3  DPR  14           HG2      DPR  14  25.140  23.980   6.260
  102    HD2  DPR  14           HD1      DPR  14  27.230  26.080   6.990
  103    HD3  DPR  14           HD2      DPR  14  26.210  25.920   5.460
  Start of MODEL    2
    1    H1   DCY   1           H1       DCY   1  28.887  20.893   6.337
    2    HA   DCY   1           HA       DCY   1  31.352  21.059   6.992
    3    HB2  DCY   1           HB1      DCY   1  29.673  18.695   7.444
    4    HB3  DCY   1           HB2      DCY   1  31.113  18.628   8.355
    5    H    ASN   2           H        ASN   2  32.486  22.087   8.873
    6    HA   ASN   2           HA       ASN   2  31.289  21.814  11.506
    7    HB2  ASN   2           HB2      ASN   2  34.173  21.310  10.517
    8    HB3  ASN   2           HB1      ASN   2  33.751  21.405  12.254
    9   HD21  ASN   2          1HD2      ASN   2  34.363  19.331   9.628
   10   HD22  ASN   2          2HD2      ASN   2  33.337  17.969  10.119
   11    H    DVA   3           H        DVA   3  31.126  24.002   9.810
   12    HA   DVA   3           HA       DVA   3  32.420  25.957  11.564
   13    HB   DVA   3           HB       DVA   3  30.963  27.745  10.509
   14   HG11  DVA   3          1HG1      DVA   3  29.025  25.530  10.027
   15   HG12  DVA   3          2HG1      DVA   3  29.965  26.510   8.774
   16   HG13  DVA   3          3HG1      DVA   3  28.825  27.325   9.825
   17   HG21  DVA   3          1HG2      DVA   3  29.104  27.443  12.117
   18   HG22  DVA   3          2HG2      DVA   3  30.634  27.066  12.836
   19   HG23  DVA   3          3HG2      DVA   3  29.567  25.716  12.377
   20    HA   DPR   4           HA       DPR   4  35.275  26.892   8.731
   21    HB2  DPR   4           HB1      DPR   4  35.291  29.788   9.058
   22    HB3  DPR   4           HB2      DPR   4  36.521  28.638   9.296
   23    HG2  DPR   4           HG1      DPR   4  35.050  29.777  11.337
   24    HG3  DPR   4           HG2      DPR   4  35.793  28.088  11.451
   25    HD2  DPR   4           HD1      DPR   4  32.983  29.102  10.775
   26    HD3  DPR   4           HD2      DPR   4  33.553  27.627  11.812
   27    H    ASP   5           H        ASP   5  35.893  27.705   6.591
   28    HA   ASP   5           HA       ASP   5  33.780  29.289   5.271
   29    HB2  ASP   5           HB2      ASP   5  35.741  30.747   4.359
   30    HB3  ASP   5           HB1      ASP   5  34.816  31.023   5.827
   31    H    VAL   6           H        VAL   6  34.099  26.667   4.749
   32    HA   VAL   6           HA       VAL   6  34.944  26.833   1.962
   33    HB   VAL   6           HB       VAL   6  35.960  24.528   2.035
   34   HG11  VAL   6          1HG1      VAL   6  38.001  25.100   3.245
   35   HG12  VAL   6          2HG1      VAL   6  37.202  26.570   3.920
   36   HG13  VAL   6          3HG1      VAL   6  37.501  26.357   2.137
   37   HG21  VAL   6          1HG2      VAL   6  36.266  23.312   3.911
   38   HG22  VAL   6          2HG2      VAL   6  34.612  24.088   4.166
   39   HG23  VAL   6          3HG2      VAL   6  35.999  24.746   5.032
   40    H    TYR   7           H        TYR   7  34.297  24.872   0.610
   41    HA   TYR   7           HA       TYR   7  31.628  24.078   0.650
   42    HB2  TYR   7           HB2      TYR   7  34.269  22.800  -0.289
   43    HB3  TYR   7           HB1      TYR   7  32.766  22.075  -0.607
   44    HD1  TYR   7           HD1      TYR   7  31.172  23.669  -1.960
   45    HD2  TYR   7           HD2      TYR   7  35.404  24.270  -1.713
   46    HE1  TYR   7           HE1      TYR   7  31.056  24.966  -4.104
   47    HE2  TYR   7           HE2      TYR   7  35.352  25.209  -4.024
   48    HH   TYR   7           HH       TYR   7  34.213  25.445  -5.848
   49    H    CYS   8           H        CYS   8  30.429  22.672   1.758
   50    HA   CYS   8           HA       CYS   8  31.790  20.176   1.963
   51    HB2  CYS   8           HB2      CYS   8  31.947  20.707   4.222
   52    HB3  CYS   8           HB1      CYS   8  30.335  21.392   4.269
   53    HA   DPR   9           HA       DPR   9  27.536  18.816   0.906
   54    HB2  DPR   9           HB1      DPR   9  28.230  16.872  -0.914
   55    HB3  DPR   9           HB2      DPR   9  28.192  16.556   0.887
   56    HG2  DPR   9           HG1      DPR   9  30.625  17.150  -0.716
   57    HG3  DPR   9           HG2      DPR   9  30.283  15.853   0.481
   58    HD2  DPR   9           HD1      DPR   9  31.577  18.136   1.267
   59    HD3  DPR   9           HD2      DPR   9  30.240  17.513   2.278
   60    H    DSG  10           H        DAN  10  30.403  19.504  -1.099
   61    HA   DSG  10           HA       DAN  10  28.867  19.989  -3.516
   62    HB2  DSG  10           HB1      DAN  10  31.022  20.534  -4.499
   63    HB3  DSG  10           HB2      DAN  10  30.893  18.965  -3.806
   64   HD21  DSG  10          1HD2      DAN  10  33.100  21.514  -4.198
   65   HD22  DSG  10          2HD2      DAN  10  34.047  21.137  -2.812
   66    H    LYS  11           H        LYS  11  28.774  21.842  -0.950
   67    HA   LYS  11           HA       LYS  11  28.699  24.466  -2.388
   68    HB2  LYS  11           HB2      LYS  11  26.504  23.383  -2.605
   69    HB3  LYS  11           HB1      LYS  11  26.497  23.198  -0.730
   70    HG2  LYS  11           HG2      LYS  11  26.382  25.598  -0.601
   71    HG3  LYS  11           HG1      LYS  11  26.529  25.687  -2.395
   72    HD2  LYS  11           HD2      LYS  11  24.216  25.973  -1.438
   73    HD3  LYS  11           HD1      LYS  11  24.295  24.557  -2.532
   74    HE2  LYS  11           HE2      LYS  11  24.403  23.011  -0.751
   75    HE3  LYS  11           HE1      LYS  11  24.564  24.276   0.469
   76    HZ1  LYS  11           HZ1      LYS  11  22.216  23.739   0.371
   77    HZ2  LYS  11           HZ2      LYS  11  22.236  24.184  -1.215
   78    HZ3  LYS  11           HZ3      LYS  11  22.459  25.275  -0.199
   79    H    TYR  12           H        TYR  12  28.907  26.306  -1.201
   80    HA   TYR  12           HA       TYR  12  30.748  26.009   0.841
   81    HB2  TYR  12           HB2      TYR  12  29.636  28.181  -0.772
   82    HB3  TYR  12           HB1      TYR  12  29.700  28.655   0.911
   83    HD1  TYR  12           HD1      TYR  12  31.712  26.530  -1.487
   84    HD2  TYR  12           HD2      TYR  12  31.596  29.789   1.298
   85    HE1  TYR  12           HE1      TYR  12  34.176  26.893  -1.817
   86    HE2  TYR  12           HE2      TYR  12  34.097  30.182   0.949
   87    HH   TYR  12           HH       TYR  12  35.865  29.580  -0.355
   88    H    DVA  13           H        DVA  13  30.508  25.699   3.029
   89    HA   DVA  13           HA       DVA  13  27.937  26.427   4.349
   90    HB   DVA  13           HB       DVA  13  29.203  27.082   6.421
   91   HG11  DVA  13          1HG1      DVA  13  31.260  25.425   5.601
   92   HG12  DVA  13          2HG1      DVA  13  31.516  26.818   6.505
   93   HG13  DVA  13          3HG1      DVA  13  31.683  26.965   4.739
   94   HG21  DVA  13          1HG2      DVA  13  29.833  28.993   5.753
   95   HG22  DVA  13          2HG2      DVA  13  28.616  28.648   4.667
   96   HG23  DVA  13          3HG2      DVA  13  30.274  28.556   3.989
   97    HA   DPR  14           HA       DPR  14  27.841  22.371   5.399
   98    HB2  DPR  14           HB1      DPR  14  26.416  22.250   7.791
   99    HB3  DPR  14           HB2      DPR  14  25.719  22.795   6.160
  100    HG2  DPR  14           HG1      DPR  14  26.824  24.496   8.486
  101    HG3  DPR  14           HG2      DPR  14  25.213  24.592   7.626
  102    HD2  DPR  14           HD1      DPR  14  27.467  26.052   7.016
  103    HD3  DPR  14           HD2      DPR  14  26.228  25.533   5.833
  Start of MODEL    3
    1    H1   DCY   1           H1       DCY   1  28.824  20.980   7.188
    2    HA   DCY   1           HA       DCY   1  31.771  21.171   7.296
    3    HB2  DCY   1           HB1      DCY   1  30.130  18.716   7.935
    4    HB3  DCY   1           HB2      DCY   1  31.712  18.889   8.180
    5    H    ASN   2           H        ASN   2  32.715  21.253   9.334
    6    HA   ASN   2           HA       ASN   2  30.927  21.401  11.625
    7    HB2  ASN   2           HB2      ASN   2  33.847  20.871  11.549
    8    HB3  ASN   2           HB1      ASN   2  33.046  21.381  12.993
    9   HD21  ASN   2          1HD2      ASN   2  33.528  18.755  10.794
   10   HD22  ASN   2          2HD2      ASN   2  32.335  17.660  11.409
   11    H    DVA   3           H        DVA   3  31.287  23.687   9.571
   12    HA   DVA   3           HA       DVA   3  32.319  25.697  11.470
   13    HB   DVA   3           HB       DVA   3  30.765  27.257  10.488
   14   HG11  DVA   3          1HG1      DVA   3  29.841  25.800   8.581
   15   HG12  DVA   3          2HG1      DVA   3  28.516  26.208   9.810
   16   HG13  DVA   3          3HG1      DVA   3  29.234  24.685   9.780
   17   HG21  DVA   3          1HG2      DVA   3  29.772  25.209  12.224
   18   HG22  DVA   3          2HG2      DVA   3  29.135  26.903  12.091
   19   HG23  DVA   3          3HG2      DVA   3  30.780  26.623  12.705
   20    HA   DPR   4           HA       DPR   4  35.007  27.042   8.634
   21    HB2  DPR   4           HB1      DPR   4  35.527  29.737   9.417
   22    HB3  DPR   4           HB2      DPR   4  36.163  28.205  10.163
   23    HG2  DPR   4           HG1      DPR   4  33.743  29.959  10.729
   24    HG3  DPR   4           HG2      DPR   4  34.829  29.225  11.966
   25    HD2  DPR   4           HD1      DPR   4  32.495  28.095  11.506
   26    HD3  DPR   4           HD2      DPR   4  33.990  27.053  11.682
   27    H    ASP   5           H        ASP   5  35.161  27.705   6.533
   28    HA   ASP   5           HA       ASP   5  33.196  28.969   5.099
   29    HB2  ASP   5           HB2      ASP   5  34.286  31.092   4.433
   30    HB3  ASP   5           HB1      ASP   5  33.610  30.957   6.012
   31    H    VAL   6           H        VAL   6  34.053  26.681   4.562
   32    HA   VAL   6           HA       VAL   6  34.923  27.181   1.961
   33    HB   VAL   6           HB       VAL   6  36.371  25.250   1.726
   34   HG11  VAL   6          1HG1      VAL   6  38.382  26.071   2.784
   35   HG12  VAL   6          2HG1      VAL   6  37.482  27.364   3.623
   36   HG13  VAL   6          3HG1      VAL   6  37.494  27.315   1.878
   37   HG21  VAL   6          1HG2      VAL   6  37.311  24.195   3.582
   38   HG22  VAL   6          2HG2      VAL   6  35.568  24.012   3.856
   39   HG23  VAL   6          3HG2      VAL   6  36.520  25.186   4.810
   40    H    TYR   7           H        TYR   7  34.963  24.384   1.300
   41    HA   TYR   7           HA       TYR   7  32.141  24.229   0.705
   42    HB2  TYR   7           HB2      TYR   7  34.481  22.506  -0.372
   43    HB3  TYR   7           HB1      TYR   7  32.938  22.064  -0.498
   44    HD1  TYR   7           HD1      TYR   7  31.304  23.205  -1.884
   45    HD2  TYR   7           HD2      TYR   7  35.310  24.531  -1.610
   46    HE1  TYR   7           HE1      TYR   7  30.998  24.417  -4.016
   47    HE2  TYR   7           HE2      TYR   7  35.088  25.775  -3.823
   48    HH   TYR   7           HH       TYR   7  33.654  26.366  -5.476
   49    H    CYS   8           H        CYS   8  30.749  22.551   1.314
   50    HA   CYS   8           HA       CYS   8  31.780  20.003   2.160
   51    HB2  CYS   8           HB2      CYS   8  31.530  21.255   4.454
   52    HB3  CYS   8           HB1      CYS   8  29.844  21.534   3.890
   53    HA   DPR   9           HA       DPR   9  27.552  18.823   1.328
   54    HB2  DPR   9           HB1      DPR   9  28.029  16.639  -0.316
   55    HB3  DPR   9           HB2      DPR   9  28.326  16.555   1.417
   56    HG2  DPR   9           HG1      DPR   9  30.254  17.042  -0.800
   57    HG3  DPR   9           HG2      DPR   9  30.460  15.987   0.713
   58    HD2  DPR   9           HD1      DPR   9  31.525  18.512   0.441
   59    HD3  DPR   9           HD2      DPR   9  30.881  17.806   1.918
   60    H    DSG  10           H        DAN  10  29.729  19.776  -1.038
   61    HA   DSG  10           HA       DAN  10  27.935  19.760  -3.262
   62    HB2  DSG  10           HB1      DAN  10  29.832  19.832  -4.631
   63    HB3  DSG  10           HB2      DAN  10  30.163  18.624  -3.279
   64   HD21  DSG  10          1HD2      DAN  10  31.423  21.169  -4.830
   65   HD22  DSG  10          2HD2      DAN  10  32.858  21.399  -3.713
   66    H    LYS  11           H        LYS  11  28.916  21.934  -1.048
   67    HA   LYS  11           HA       LYS  11  28.691  24.317  -2.697
   68    HB2  LYS  11           HB2      LYS  11  26.613  23.655  -0.583
   69    HB3  LYS  11           HB1      LYS  11  26.926  25.294  -1.135
   70    HG2  LYS  11           HG2      LYS  11  26.345  24.607  -3.450
   71    HG3  LYS  11           HG1      LYS  11  25.813  23.019  -2.797
   72    HD2  LYS  11           HD2      LYS  11  24.307  24.002  -1.197
   73    HD3  LYS  11           HD1      LYS  11  24.605  25.644  -1.715
   74    HE2  LYS  11           HE2      LYS  11  24.034  25.203  -3.985
   75    HE3  LYS  11           HE1      LYS  11  23.509  23.499  -3.711
   76    HZ1  LYS  11           HZ1      LYS  11  22.424  25.820  -2.333
   77    HZ2  LYS  11           HZ2      LYS  11  21.983  24.202  -2.144
   78    HZ3  LYS  11           HZ3      LYS  11  21.602  24.924  -3.422
   79    H    TYR  12           H        TYR  12  28.932  26.533  -1.182
   80    HA   TYR  12           HA       TYR  12  31.011  26.042   0.820
   81    HB2  TYR  12           HB2      TYR  12  30.046  28.112  -0.947
   82    HB3  TYR  12           HB1      TYR  12  29.892  28.593   0.743
   83    HD1  TYR  12           HD1      TYR  12  32.348  26.494  -1.122
   84    HD2  TYR  12           HD2      TYR  12  31.752  29.858   1.467
   85    HE1  TYR  12           HE1      TYR  12  34.745  27.138  -1.314
   86    HE2  TYR  12           HE2      TYR  12  34.030  30.589   1.253
   87    HH   TYR  12           HH       TYR  12  36.148  30.013   0.302
   88    H    DVA  13           H        DVA  13  30.792  26.308   2.806
   89    HA   DVA  13           HA       DVA  13  28.196  26.472   4.114
   90    HB   DVA  13           HB       DVA  13  29.103  27.149   6.210
   91   HG11  DVA  13          1HG1      DVA  13  31.233  25.952   6.051
   92   HG12  DVA  13          2HG1      DVA  13  31.356  27.496   6.723
   93   HG13  DVA  13          3HG1      DVA  13  31.848  27.187   4.974
   94   HG21  DVA  13          1HG2      DVA  13  28.538  28.984   4.759
   95   HG22  DVA  13          2HG2      DVA  13  30.147  28.870   3.999
   96   HG23  DVA  13          3HG2      DVA  13  30.011  29.387   5.644
   97    HA   DPR  14           HA       DPR  14  28.134  22.234   5.247
   98    HB2  DPR  14           HB1      DPR  14  27.267  23.174   7.964
   99    HB3  DPR  14           HB2      DPR  14  26.443  22.033   6.857
  100    HG2  DPR  14           HG1      DPR  14  25.539  24.521   7.052
  101    HG3  DPR  14           HG2      DPR  14  25.585  23.636   5.425
  102    HD2  DPR  14           HD1      DPR  14  27.342  25.789   6.524
  103    HD3  DPR  14           HD2      DPR  14  26.784  25.634   4.957
  Start of MODEL    4
    1    H1   DCY   1           H1       DCY   1  28.830  20.812   6.686
    2    HA   DCY   1           HA       DCY   1  31.331  21.528   7.709
    3    HB2  DCY   1           HB1      DCY   1  29.818  18.923   7.669
    4    HB3  DCY   1           HB2      DCY   1  31.531  19.139   8.199
    5    H    ASN   2           H        ASN   2  32.434  21.420   9.563
    6    HA   ASN   2           HA       ASN   2  30.737  21.579  11.898
    7    HB2  ASN   2           HB2      ASN   2  33.669  20.888  11.586
    8    HB3  ASN   2           HB1      ASN   2  32.916  21.067  13.195
    9   HD21  ASN   2          1HD2      ASN   2  34.282  18.879  12.029
   10   HD22  ASN   2          2HD2      ASN   2  33.083  17.632  11.645
   11    H    DVA   3           H        DVA   3  31.351  23.710   9.809
   12    HA   DVA   3           HA       DVA   3  32.308  25.783  11.718
   13    HB   DVA   3           HB       DVA   3  31.037  27.409  10.511
   14   HG11  DVA   3          1HG1      DVA   3  29.215  25.119   9.761
   15   HG12  DVA   3          2HG1      DVA   3  30.104  26.261   8.688
   16   HG13  DVA   3          3HG1      DVA   3  28.729  26.776   9.817
   17   HG21  DVA   3          1HG2      DVA   3  30.515  26.444  12.869
   18   HG22  DVA   3          2HG2      DVA   3  29.569  25.272  12.264
   19   HG23  DVA   3          3HG2      DVA   3  28.971  26.955  12.127
   20    HA   DPR   4           HA       DPR   4  35.311  26.880   8.447
   21    HB2  DPR   4           HB1      DPR   4  35.460  29.517   9.036
   22    HB3  DPR   4           HB2      DPR   4  36.482  28.155   9.756
   23    HG2  DPR   4           HG1      DPR   4  34.212  29.718  10.953
   24    HG3  DPR   4           HG2      DPR   4  35.578  28.923  11.798
   25    HD2  DPR   4           HD1      DPR   4  33.007  28.209  11.464
   26    HD3  DPR   4           HD2      DPR   4  34.245  27.056  11.993
   27    H    ASP   5           H        ASP   5  35.341  27.527   6.429
   28    HA   ASP   5           HA       ASP   5  33.237  29.384   5.462
   29    HB2  ASP   5           HB2      ASP   5  34.998  30.877   4.522
   30    HB3  ASP   5           HB1      ASP   5  34.891  30.794   6.292
   31    H    VAL   6           H        VAL   6  34.499  26.585   4.728
   32    HA   VAL   6           HA       VAL   6  34.583  27.255   1.839
   33    HB   VAL   6           HB       VAL   6  36.043  25.421   1.394
   34   HG11  VAL   6          1HG1      VAL   6  38.052  26.466   2.140
   35   HG12  VAL   6          2HG1      VAL   6  37.019  27.433   3.270
   36   HG13  VAL   6          3HG1      VAL   6  36.888  27.660   1.525
   37   HG21  VAL   6          1HG2      VAL   6  36.397  25.194   4.404
   38   HG22  VAL   6          2HG2      VAL   6  37.358  24.409   3.099
   39   HG23  VAL   6          3HG2      VAL   6  35.774  23.936   3.378
   40    H    TYR   7           H        TYR   7  34.457  24.827   0.772
   41    HA   TYR   7           HA       TYR   7  31.762  24.109   0.685
   42    HB2  TYR   7           HB2      TYR   7  32.580  22.463  -1.044
   43    HB3  TYR   7           HB1      TYR   7  32.986  24.085  -1.245
   44    HD1  TYR   7           HD1      TYR   7  35.169  24.803  -1.213
   45    HD2  TYR   7           HD2      TYR   7  34.303  20.770  -0.113
   46    HE1  TYR   7           HE1      TYR   7  37.613  24.215  -1.566
   47    HE2  TYR   7           HE2      TYR   7  36.673  20.057  -0.614
   48    HH   TYR   7           HH       TYR   7  38.797  20.918  -0.760
   49    H    CYS   8           H        CYS   8  30.605  22.684   1.416
   50    HA   CYS   8           HA       CYS   8  31.544  19.976   2.451
   51    HB2  CYS   8           HB2      CYS   8  30.955  21.672   4.366
   52    HB3  CYS   8           HB1      CYS   8  29.367  21.755   3.530
   53    HA   DPR   9           HA       DPR   9  27.735  18.310   1.137
   54    HB2  DPR   9           HB1      DPR   9  29.530  16.790  -0.789
   55    HB3  DPR   9           HB2      DPR   9  28.037  16.301  -0.085
   56    HG2  DPR   9           HG1      DPR   9  30.401  15.561   1.005
   57    HG3  DPR   9           HG2      DPR   9  29.037  16.132   2.000
   58    HD2  DPR   9           HD1      DPR   9  31.461  17.782   1.299
   59    HD3  DPR   9           HD2      DPR   9  30.503  17.746   2.768
   60    H    DSG  10           H        DAN  10  30.113  19.628  -1.039
   61    HA   DSG  10           HA       DAN  10  28.264  20.023  -3.198
   62    HB2  DSG  10           HB1      DAN  10  30.171  20.242  -4.650
   63    HB3  DSG  10           HB2      DAN  10  30.362  18.768  -3.766
   64   HD21  DSG  10          1HD2      DAN  10  32.398  20.734  -5.095
   65   HD22  DSG  10          2HD2      DAN  10  33.424  21.038  -3.665
   66    H    LYS  11           H        LYS  11  28.116  21.834  -1.017
   67    HA   LYS  11           HA       LYS  11  28.084  24.494  -2.329
   68    HB2  LYS  11           HB2      LYS  11  26.442  23.215  -0.192
   69    HB3  LYS  11           HB1      LYS  11  26.530  24.964  -0.416
   70    HG2  LYS  11           HG2      LYS  11  25.907  23.014  -2.622
   71    HG3  LYS  11           HG1      LYS  11  24.631  23.847  -1.718
   72    HD2  LYS  11           HD2      LYS  11  25.526  25.985  -2.628
   73    HD3  LYS  11           HD1      LYS  11  26.642  25.047  -3.555
   74    HE2  LYS  11           HE2      LYS  11  25.045  25.267  -5.125
   75    HE3  LYS  11           HE1      LYS  11  24.446  23.767  -4.434
   76    HZ1  LYS  11           HZ1      LYS  11  23.347  26.449  -4.105
   77    HZ2  LYS  11           HZ2      LYS  11  22.931  25.261  -3.013
   78    HZ3  LYS  11           HZ3      LYS  11  22.575  25.078  -4.550
   79    H    TYR  12           H        TYR  12  28.755  26.283  -1.089
   80    HA   TYR  12           HA       TYR  12  30.913  25.867   0.958
   81    HB2  TYR  12           HB2      TYR  12  29.887  28.223  -0.601
   82    HB3  TYR  12           HB1      TYR  12  30.749  28.480   0.944
   83    HD1  TYR  12           HD1      TYR  12  31.314  26.331  -1.965
   84    HD2  TYR  12           HD2      TYR  12  32.854  29.130   0.763
   85    HE1  TYR  12           HE1      TYR  12  33.536  26.190  -3.180
   86    HE2  TYR  12           HE2      TYR  12  35.116  29.022  -0.324
   87    HH   TYR  12           HH       TYR  12  36.270  28.204  -1.980
   88    H    DVA  13           H        DVA  13  30.447  25.762   2.863
   89    HA   DVA  13           HA       DVA  13  27.843  26.612   3.905
   90    HB   DVA  13           HB       DVA  13  28.740  27.499   5.960
   91   HG11  DVA  13          1HG1      DVA  13  31.139  26.534   5.885
   92   HG12  DVA  13          2HG1      DVA  13  30.912  28.186   6.352
   93   HG13  DVA  13          3HG1      DVA  13  31.530  27.722   4.745
   94   HG21  DVA  13          1HG2      DVA  13  29.635  29.025   3.517
   95   HG22  DVA  13          2HG2      DVA  13  29.308  29.667   5.122
   96   HG23  DVA  13          3HG2      DVA  13  28.001  28.922   4.156
   97    HA   DPR  14           HA       DPR  14  27.781  22.594   5.369
   98    HB2  DPR  14           HB1      DPR  14  27.117  23.527   8.121
   99    HB3  DPR  14           HB2      DPR  14  26.175  22.386   7.150
  100    HG2  DPR  14           HG1      DPR  14  25.304  24.805   7.391
  101    HG3  DPR  14           HG2      DPR  14  25.338  24.021   5.731
  102    HD2  DPR  14           HD1      DPR  14  27.118  26.206   6.708
  103    HD3  DPR  14           HD2      DPR  14  26.474  25.861   5.154
  Start of MODEL    5
    1    H1   DCY   1           H1       DCY   1  28.568  21.045   7.350
    2    HA   DCY   1           HA       DCY   1  31.536  21.394   7.245
    3    HB2  DCY   1           HB1      DCY   1  29.826  18.946   7.627
    4    HB3  DCY   1           HB2      DCY   1  31.550  19.029   8.053
    5    H    ASN   2           H        ASN   2  32.755  21.418   9.326
    6    HA   ASN   2           HA       ASN   2  31.152  21.376  11.781
    7    HB2  ASN   2           HB2      ASN   2  34.137  21.209  11.207
    8    HB3  ASN   2           HB1      ASN   2  33.379  21.027  12.796
    9   HD21  ASN   2          1HD2      ASN   2  33.949  19.260   9.683
   10   HD22  ASN   2          2HD2      ASN   2  33.215  17.792  10.168
   11    H    DVA   3           H        DVA   3  31.394  23.709   9.759
   12    HA   DVA   3           HA       DVA   3  32.490  25.647  11.769
   13    HB   DVA   3           HB       DVA   3  31.095  27.414  10.908
   14   HG11  DVA   3          1HG1      DVA   3  30.733  26.385   8.592
   15   HG12  DVA   3          2HG1      DVA   3  29.423  27.158   9.332
   16   HG13  DVA   3          3HG1      DVA   3  29.436  25.422   9.381
   17   HG21  DVA   3          1HG2      DVA   3  30.720  25.882  12.895
   18   HG22  DVA   3          2HG2      DVA   3  29.591  25.072  11.926
   19   HG23  DVA   3          3HG2      DVA   3  29.240  26.745  12.235
   20    HA   DPR   4           HA       DPR   4  35.357  26.543   8.299
   21    HB2  DPR   4           HB1      DPR   4  36.298  28.912   8.900
   22    HB3  DPR   4           HB2      DPR   4  36.666  27.473   9.861
   23    HG2  DPR   4           HG1      DPR   4  34.678  29.636  10.680
   24    HG3  DPR   4           HG2      DPR   4  35.880  28.738  11.659
   25    HD2  DPR   4           HD1      DPR   4  33.235  28.221  11.426
   26    HD3  DPR   4           HD2      DPR   4  34.502  26.978  11.880
   27    H    ASP   5           H        ASP   5  35.360  27.670   6.495
   28    HA   ASP   5           HA       ASP   5  33.342  29.722   5.687
   29    HB2  ASP   5           HB2      ASP   5  34.876  31.228   4.757
   30    HB3  ASP   5           HB1      ASP   5  35.062  31.007   6.429
   31    H    VAL   6           H        VAL   6  34.749  26.774   5.072
   32    HA   VAL   6           HA       VAL   6  34.976  27.085   2.160
   33    HB   VAL   6           HB       VAL   6  35.814  24.726   2.254
   34   HG11  VAL   6          1HG1      VAL   6  37.286  26.574   1.955
   35   HG12  VAL   6          2HG1      VAL   6  38.042  25.447   3.078
   36   HG13  VAL   6          3HG1      VAL   6  37.352  26.898   3.718
   37   HG21  VAL   6          1HG2      VAL   6  35.828  25.022   5.189
   38   HG22  VAL   6          2HG2      VAL   6  36.350  23.564   4.173
   39   HG23  VAL   6          3HG2      VAL   6  34.708  24.019   4.250
   40    H    TYR   7           H        TYR   7  34.529  24.612   1.124
   41    HA   TYR   7           HA       TYR   7  31.666  24.280   1.121
   42    HB2  TYR   7           HB2      TYR   7  32.339  22.652  -0.716
   43    HB3  TYR   7           HB1      TYR   7  32.612  24.313  -1.102
   44    HD1  TYR   7           HD1      TYR   7  34.865  25.375  -0.882
   45    HD2  TYR   7           HD2      TYR   7  34.306  21.092  -1.013
   46    HE1  TYR   7           HE1      TYR   7  37.262  25.125  -1.238
   47    HE2  TYR   7           HE2      TYR   7  36.718  20.887  -1.501
   48    HH   TYR   7           HH       TYR   7  38.628  21.828  -1.562
   49    H    CYS   8           H        CYS   8  30.545  22.568   1.518
   50    HA   CYS   8           HA       CYS   8  31.727  20.045   2.302
   51    HB2  CYS   8           HB2      CYS   8  31.048  21.380   4.511
   52    HB3  CYS   8           HB1      CYS   8  29.485  21.710   3.730
   53    HA   DPR   9           HA       DPR   9  27.790  18.644   1.175
   54    HB2  DPR   9           HB1      DPR   9  28.534  16.776  -0.815
   55    HB3  DPR   9           HB2      DPR   9  28.156  16.398   0.869
   56    HG2  DPR   9           HG1      DPR   9  30.843  16.829  -0.520
   57    HG3  DPR   9           HG2      DPR   9  30.527  15.886   0.894
   58    HD2  DPR   9           HD1      DPR   9  31.670  18.373   0.913
   59    HD3  DPR   9           HD2      DPR   9  30.707  17.647   2.355
   60    H    DSG  10           H        DAN  10  30.160  19.451  -1.222
   61    HA   DSG  10           HA       DAN  10  28.395  19.689  -3.579
   62    HB2  DSG  10           HB1      DAN  10  30.443  20.117  -4.629
   63    HB3  DSG  10           HB2      DAN  10  30.709  18.671  -3.603
   64   HD21  DSG  10          1HD2      DAN  10  32.197  21.430  -4.473
   65   HD22  DSG  10          2HD2      DAN  10  33.170  21.791  -2.995
   66    H    LYS  11           H        LYS  11  28.733  21.673  -1.006
   67    HA   LYS  11           HA       LYS  11  28.570  24.094  -2.584
   68    HB2  LYS  11           HB2      LYS  11  26.486  22.828  -0.721
   69    HB3  LYS  11           HB1      LYS  11  26.568  24.542  -0.859
   70    HG2  LYS  11           HG2      LYS  11  26.138  24.490  -3.188
   71    HG3  LYS  11           HG1      LYS  11  26.508  22.798  -3.299
   72    HD2  LYS  11           HD2      LYS  11  24.560  22.117  -2.309
   73    HD3  LYS  11           HD1      LYS  11  24.227  23.529  -1.456
   74    HE2  LYS  11           HE2      LYS  11  24.091  23.755  -4.465
   75    HE3  LYS  11           HE1      LYS  11  22.821  22.927  -3.606
   76    HZ1  LYS  11           HZ1      LYS  11  23.437  25.762  -2.884
   77    HZ2  LYS  11           HZ2      LYS  11  22.388  24.761  -2.297
   78    HZ3  LYS  11           HZ3      LYS  11  22.261  25.176  -3.911
   79    H    TYR  12           H        TYR  12  28.713  26.171  -1.468
   80    HA   TYR  12           HA       TYR  12  30.742  26.007   0.613
   81    HB2  TYR  12           HB2      TYR  12  29.767  28.127  -1.279
   82    HB3  TYR  12           HB1      TYR  12  30.103  28.644   0.240
   83    HD1  TYR  12           HD1      TYR  12  31.740  26.609  -2.488
   84    HD2  TYR  12           HD2      TYR  12  32.187  29.054   1.018
   85    HE1  TYR  12           HE1      TYR  12  34.226  26.849  -2.923
   86    HE2  TYR  12           HE2      TYR  12  34.683  28.977   0.737
   87    HH   TYR  12           HH       TYR  12  36.388  28.549  -0.795
   88    H    DVA  13           H        DVA  13  30.572  26.337   2.607
   89    HA   DVA  13           HA       DVA  13  27.945  26.613   3.746
   90    HB   DVA  13           HB       DVA  13  28.946  27.390   5.862
   91   HG11  DVA  13          1HG1      DVA  13  31.322  26.466   5.356
   92   HG12  DVA  13          2HG1      DVA  13  31.017  27.890   6.388
   93   HG13  DVA  13          3HG1      DVA  13  31.627  27.947   4.625
   94   HG21  DVA  13          1HG2      DVA  13  29.735  29.634   5.164
   95   HG22  DVA  13          2HG2      DVA  13  28.165  29.143   4.370
   96   HG23  DVA  13          3HG2      DVA  13  29.604  28.970   3.458
   97    HA   DPR  14           HA       DPR  14  28.079  22.584   5.191
   98    HB2  DPR  14           HB1      DPR  14  27.085  23.278   7.918
   99    HB3  DPR  14           HB2      DPR  14  26.312  22.339   6.557
  100    HG2  DPR  14           HG1      DPR  14  25.531  24.771   7.395
  101    HG3  DPR  14           HG2      DPR  14  25.324  24.263   5.691
  102    HD2  DPR  14           HD1      DPR  14  27.448  26.032   6.799
  103    HD3  DPR  14           HD2      DPR  14  26.692  26.071   5.280
  Start of MODEL    6
    1    H1   DCY   1           H1       DCY   1  28.069  21.638   7.446
    2    HA   DCY   1           HA       DCY   1  31.016  21.259   7.297
    3    HB2  DCY   1           HB1      DCY   1  28.749  19.409   7.533
    4    HB3  DCY   1           HB2      DCY   1  30.294  18.916   8.053
    5    H    ASN   2           H        ASN   2  31.923  22.027   8.924
    6    HA   ASN   2           HA       ASN   2  31.034  21.528  11.664
    7    HB2  ASN   2           HB2      ASN   2  33.592  20.694  10.317
    8    HB3  ASN   2           HB1      ASN   2  33.320  20.536  12.034
    9   HD21  ASN   2          1HD2      ASN   2  33.220  18.827   9.015
   10   HD22  ASN   2          2HD2      ASN   2  31.937  17.668   9.424
   11    H    DVA   3           H        DVA   3  31.730  24.029   9.762
   12    HA   DVA   3           HA       DVA   3  33.449  25.383  11.727
   13    HB   DVA   3           HB       DVA   3  31.847  27.460  11.335
   14   HG11  DVA   3          1HG1      DVA   3  30.746  26.684   9.285
   15   HG12  DVA   3          2HG1      DVA   3  29.627  27.126  10.418
   16   HG13  DVA   3          3HG1      DVA   3  29.924  25.395  10.086
   17   HG21  DVA   3          1HG2      DVA   3  30.426  26.966  13.038
   18   HG22  DVA   3          2HG2      DVA   3  31.817  26.176  13.365
   19   HG23  DVA   3          3HG2      DVA   3  30.545  25.116  12.776
   20    HA   DPR   4           HA       DPR   4  35.639  27.062   8.448
   21    HB2  DPR   4           HB1      DPR   4  35.166  29.716   9.710
   22    HB3  DPR   4           HB2      DPR   4  36.663  29.032   8.889
   23    HG2  DPR   4           HG1      DPR   4  36.537  28.979  11.570
   24    HG3  DPR   4           HG2      DPR   4  36.916  27.471  10.774
   25    HD2  DPR   4           HD1      DPR   4  34.162  28.218  11.744
   26    HD3  DPR   4           HD2      DPR   4  35.145  26.717  11.918
   27    H    ASP   5           H        ASP   5  35.523  27.734   6.484
   28    HA   ASP   5           HA       ASP   5  33.186  29.021   5.292
   29    HB2  ASP   5           HB2      ASP   5  34.437  30.753   4.321
   30    HB3  ASP   5           HB1      ASP   5  34.296  30.959   6.083
   31    H    VAL   6           H        VAL   6  34.553  26.389   4.758
   32    HA   VAL   6           HA       VAL   6  34.962  26.945   1.924
   33    HB   VAL   6           HB       VAL   6  36.408  24.945   1.715
   34   HG11  VAL   6          1HG1      VAL   6  38.365  25.660   2.858
   35   HG12  VAL   6          2HG1      VAL   6  37.359  26.614   3.929
   36   HG13  VAL   6          3HG1      VAL   6  37.454  27.147   2.201
   37   HG21  VAL   6          1HG2      VAL   6  37.162  23.682   3.492
   38   HG22  VAL   6          2HG2      VAL   6  35.403  23.803   3.812
   39   HG23  VAL   6          3HG2      VAL   6  36.706  24.755   4.694
   40    H    TYR   7           H        TYR   7  34.944  24.398   1.038
   41    HA   TYR   7           HA       TYR   7  32.168  24.011   0.587
   42    HB2  TYR   7           HB2      TYR   7  33.002  21.682  -0.278
   43    HB3  TYR   7           HB1      TYR   7  33.534  23.157  -1.131
   44    HD1  TYR   7           HD1      TYR   7  35.866  23.450  -1.696
   45    HD2  TYR   7           HD2      TYR   7  34.633  20.614   1.424
   46    HE1  TYR   7           HE1      TYR   7  38.161  22.892  -1.118
   47    HE2  TYR   7           HE2      TYR   7  36.954  19.988   1.737
   48    HH   TYR   7           HH       TYR   7  38.952  20.566   1.423
   49    H    CYS   8           H        CYS   8  30.688  22.424   1.056
   50    HA   CYS   8           HA       CYS   8  31.575  20.220   2.676
   51    HB2  CYS   8           HB2      CYS   8  30.551  21.649   4.503
   52    HB3  CYS   8           HB1      CYS   8  29.110  21.839   3.427
   53    HA   DPR   9           HA       DPR   9  28.703  17.673   0.537
   54    HB2  DPR   9           HB1      DPR   9  31.025  17.290  -1.319
   55    HB3  DPR   9           HB2      DPR   9  29.730  16.125  -0.684
   56    HG2  DPR   9           HG1      DPR   9  32.221  16.349   0.269
   57    HG3  DPR   9           HG2      DPR   9  30.995  16.101   1.410
   58    HD2  DPR   9           HD1      DPR   9  32.338  18.629   0.524
   59    HD3  DPR   9           HD2      DPR   9  31.861  18.112   2.167
   60    H    DSG  10           H        DAN  10  30.554  20.133  -1.435
   61    HA   DSG  10           HA       DAN  10  28.547  20.087  -3.480
   62    HB2  DSG  10           HB1      DAN  10  30.398  20.701  -4.924
   63    HB3  DSG  10           HB2      DAN  10  30.690  19.230  -4.105
   64   HD21  DSG  10          1HD2      DAN  10  32.461  21.943  -5.144
   65   HD22  DSG  10          2HD2      DAN  10  33.626  21.946  -3.905
   66    H    LYS  11           H        LYS  11  27.938  21.451  -1.369
   67    HA   LYS  11           HA       LYS  11  27.511  24.163  -2.247
   68    HB2  LYS  11           HB2      LYS  11  26.663  22.777   0.312
   69    HB3  LYS  11           HB1      LYS  11  26.193  24.416  -0.221
   70    HG2  LYS  11           HG2      LYS  11  25.230  23.669  -2.342
   71    HG3  LYS  11           HG1      LYS  11  25.483  22.025  -1.857
   72    HD2  LYS  11           HD2      LYS  11  24.360  22.276   0.216
   73    HD3  LYS  11           HD1      LYS  11  23.891  23.924  -0.130
   74    HE2  LYS  11           HE2      LYS  11  22.640  23.091  -2.077
   75    HE3  LYS  11           HE1      LYS  11  23.085  21.346  -1.793
   76    HZ1  LYS  11           HZ1      LYS  11  21.154  21.701  -0.553
   77    HZ2  LYS  11           HZ2      LYS  11  21.510  23.143   0.018
   78    HZ3  LYS  11           HZ3      LYS  11  22.354  21.899   0.559
   79    H    TYR  12           H        TYR  12  28.015  26.066  -0.729
   80    HA   TYR  12           HA       TYR  12  30.527  25.678   0.846
   81    HB2  TYR  12           HB2      TYR  12  29.634  27.780  -0.975
   82    HB3  TYR  12           HB1      TYR  12  30.248  28.262   0.657
   83    HD1  TYR  12           HD1      TYR  12  31.014  25.700  -1.905
   84    HD2  TYR  12           HD2      TYR  12  32.458  28.821   0.547
   85    HE1  TYR  12           HE1      TYR  12  33.440  25.134  -2.607
   86    HE2  TYR  12           HE2      TYR  12  34.810  28.504  -0.207
   87    HH   TYR  12           HH       TYR  12  36.198  26.939  -1.493
   88    H    DVA  13           H        DVA  13  30.595  26.109   3.060
   89    HA   DVA  13           HA       DVA  13  27.981  26.968   4.056
   90    HB   DVA  13           HB       DVA  13  28.958  27.579   6.040
   91   HG11  DVA  13          1HG1      DVA  13  31.713  26.726   4.917
   92   HG12  DVA  13          2HG1      DVA  13  30.891  25.933   6.234
   93   HG13  DVA  13          3HG1      DVA  13  31.420  27.542   6.443
   94   HG21  DVA  13          1HG2      DVA  13  30.516  29.506   5.311
   95   HG22  DVA  13          2HG2      DVA  13  28.966  29.390   4.507
   96   HG23  DVA  13          3HG2      DVA  13  30.497  28.709   3.714
   97    HA   DPR  14           HA       DPR  14  27.278  22.944   5.484
   98    HB2  DPR  14           HB1      DPR  14  26.547  23.806   8.246
   99    HB3  DPR  14           HB2      DPR  14  25.687  22.969   6.910
  100    HG2  DPR  14           HG1      DPR  14  25.420  25.648   7.748
  101    HG3  DPR  14           HG2      DPR  14  25.072  25.131   6.013
  102    HD2  DPR  14           HD1      DPR  14  27.554  26.434   7.179
  103    HD3  DPR  14           HD2      DPR  14  26.777  26.722   5.674
  Start of MODEL    7
    1    H1   DCY   1           H1       DCY   1  28.886  20.722   7.004
    2    HA   DCY   1           HA       DCY   1  31.669  21.493   7.387
    3    HB2  DCY   1           HB1      DCY   1  30.081  18.947   7.604
    4    HB3  DCY   1           HB2      DCY   1  31.646  19.048   8.224
    5    H    ASN   2           H        ASN   2  32.640  21.786   9.343
    6    HA   ASN   2           HA       ASN   2  31.205  21.638  11.914
    7    HB2  ASN   2           HB2      ASN   2  34.174  21.107  11.216
    8    HB3  ASN   2           HB1      ASN   2  33.394  21.102  12.724
    9   HD21  ASN   2          1HD2      ASN   2  34.640  19.162  10.252
   10   HD22  ASN   2          2HD2      ASN   2  33.520  17.812  10.497
   11    H    DVA   3           H        DVA   3  31.627  23.933   9.747
   12    HA   DVA   3           HA       DVA   3  32.496  25.942  11.671
   13    HB   DVA   3           HB       DVA   3  30.851  27.417  10.857
   14   HG11  DVA   3          1HG1      DVA   3  31.212  27.271   8.485
   15   HG12  DVA   3          2HG1      DVA   3  29.529  27.135   8.823
   16   HG13  DVA   3          3HG1      DVA   3  30.342  25.675   8.421
   17   HG21  DVA   3          1HG2      DVA   3  29.518  24.794  10.949
   18   HG22  DVA   3          2HG2      DVA   3  28.602  26.362  10.895
   19   HG23  DVA   3          3HG2      DVA   3  29.735  26.018  12.191
   20    HA   DPR   4           HA       DPR   4  35.510  27.254   8.912
   21    HB2  DPR   4           HB1      DPR   4  35.890  30.001   9.370
   22    HB3  DPR   4           HB2      DPR   4  36.213  28.775  10.519
   23    HG2  DPR   4           HG1      DPR   4  33.831  30.494  10.463
   24    HG3  DPR   4           HG2      DPR   4  34.713  29.858  11.848
   25    HD2  DPR   4           HD1      DPR   4  32.301  28.900  10.776
   26    HD3  DPR   4           HD2      DPR   4  33.268  28.087  11.988
   27    H    ASP   5           H        ASP   5  35.857  27.903   6.807
   28    HA   ASP   5           HA       ASP   5  33.755  29.319   5.400
   29    HB2  ASP   5           HB2      ASP   5  36.582  30.580   5.460
   30    HB3  ASP   5           HB1      ASP   5  35.299  30.903   4.342
   31    H    VAL   6           H        VAL   6  33.913  26.866   4.846
   32    HA   VAL   6           HA       VAL   6  35.274  26.456   2.236
   33    HB   VAL   6           HB       VAL   6  35.479  24.044   3.345
   34   HG11  VAL   6          1HG1      VAL   6  37.910  24.446   3.222
   35   HG12  VAL   6          2HG1      VAL   6  37.656  26.122   2.941
   36   HG13  VAL   6          3HG1      VAL   6  36.948  24.982   1.784
   37   HG21  VAL   6          1HG2      VAL   6  36.748  25.889   5.407
   38   HG22  VAL   6          2HG2      VAL   6  36.901  24.178   5.240
   39   HG23  VAL   6          3HG2      VAL   6  35.321  24.818   5.639
   40    H    TYR   7           H        TYR   7  34.666  24.453   1.112
   41    HA   TYR   7           HA       TYR   7  31.791  24.184   0.835
   42    HB2  TYR   7           HB2      TYR   7  32.465  22.442  -0.792
   43    HB3  TYR   7           HB1      TYR   7  33.074  24.002  -1.098
   44    HD1  TYR   7           HD1      TYR   7  35.507  24.536  -0.686
   45    HD2  TYR   7           HD2      TYR   7  33.973  20.571  -0.032
   46    HE1  TYR   7           HE1      TYR   7  37.815  23.517  -0.790
   47    HE2  TYR   7           HE2      TYR   7  36.035  19.564  -0.455
   48    HH   TYR   7           HH       TYR   7  38.379  20.036  -1.038
   49    H    CYS   8           H        CYS   8  30.385  22.498   1.365
   50    HA   CYS   8           HA       CYS   8  31.509  20.052   2.398
   51    HB2  CYS   8           HB2      CYS   8  31.010  21.304   4.185
   52    HB3  CYS   8           HB1      CYS   8  29.211  21.426   3.673
   53    HA   DPR   9           HA       DPR   9  27.762  18.160   0.413
   54    HB2  DPR   9           HB1      DPR   9  29.976  16.944  -1.246
   55    HB3  DPR   9           HB2      DPR   9  28.470  16.132  -0.551
   56    HG2  DPR   9           HG1      DPR   9  30.935  15.890   0.581
   57    HG3  DPR   9           HG2      DPR   9  29.497  16.150   1.624
   58    HD2  DPR   9           HD1      DPR   9  31.582  18.094   0.862
   59    HD3  DPR   9           HD2      DPR   9  30.696  17.964   2.380
   60    H    DSG  10           H        DAN  10  30.234  19.527  -1.739
   61    HA   DSG  10           HA       DAN  10  28.300  19.828  -3.864
   62    HB2  DSG  10           HB1      DAN  10  29.975  20.399  -5.333
   63    HB3  DSG  10           HB2      DAN  10  30.528  18.983  -4.291
   64   HD21  DSG  10          1HD2      DAN  10  32.295  20.407  -5.798
   65   HD22  DSG  10          2HD2      DAN  10  33.398  21.153  -4.615
   66    H    LYS  11           H        LYS  11  28.610  21.808  -1.194
   67    HA   LYS  11           HA       LYS  11  29.033  24.176  -2.601
   68    HB2  LYS  11           HB2      LYS  11  26.751  25.109  -1.820
   69    HB3  LYS  11           HB1      LYS  11  26.359  23.618  -2.755
   70    HG2  LYS  11           HG2      LYS  11  26.610  22.524  -0.344
   71    HG3  LYS  11           HG1      LYS  11  26.178  24.101   0.112
   72    HD2  LYS  11           HD2      LYS  11  24.335  23.847  -1.850
   73    HD3  LYS  11           HD1      LYS  11  24.829  22.154  -1.843
   74    HE2  LYS  11           HE2      LYS  11  22.790  22.446  -0.559
   75    HE3  LYS  11           HE1      LYS  11  24.110  22.032   0.504
   76    HZ1  LYS  11           HZ1      LYS  11  23.052  24.752   0.054
   77    HZ2  LYS  11           HZ2      LYS  11  24.256  24.349   1.127
   78    HZ3  LYS  11           HZ3      LYS  11  22.805  23.878   1.474
   79    H    TYR  12           H        TYR  12  28.783  26.114  -1.339
   80    HA   TYR  12           HA       TYR  12  30.522  25.765   0.919
   81    HB2  TYR  12           HB2      TYR  12  30.006  27.984  -0.861
   82    HB3  TYR  12           HB1      TYR  12  30.149  28.524   0.744
   83    HD1  TYR  12           HD1      TYR  12  31.912  26.131  -1.697
   84    HD2  TYR  12           HD2      TYR  12  32.197  29.068   1.518
   85    HE1  TYR  12           HE1      TYR  12  34.290  26.278  -2.019
   86    HE2  TYR  12           HE2      TYR  12  34.701  28.889   1.322
   87    HH   TYR  12           HH       TYR  12  36.250  28.259   0.097
   88    H    DVA  13           H        DVA  13  30.172  25.559   2.864
   89    HA   DVA  13           HA       DVA  13  27.700  26.464   4.302
   90    HB   DVA  13           HB       DVA  13  29.050  27.410   6.027
   91   HG11  DVA  13          1HG1      DVA  13  31.219  26.025   5.182
   92   HG12  DVA  13          2HG1      DVA  13  31.420  27.575   6.024
   93   HG13  DVA  13          3HG1      DVA  13  31.527  27.430   4.241
   94   HG21  DVA  13          1HG2      DVA  13  30.060  29.379   4.782
   95   HG22  DVA  13          2HG2      DVA  13  28.330  29.016   4.567
   96   HG23  DVA  13          3HG2      DVA  13  29.528  28.510   3.310
   97    HA   DPR  14           HA       DPR  14  27.849  22.401   5.665
   98    HB2  DPR  14           HB1      DPR  14  27.067  22.591   8.292
   99    HB3  DPR  14           HB2      DPR  14  25.920  22.826   6.953
  100    HG2  DPR  14           HG1      DPR  14  27.545  24.832   8.568
  101    HG3  DPR  14           HG2      DPR  14  25.742  24.903   8.283
  102    HD2  DPR  14           HD1      DPR  14  27.245  26.330   6.614
  103    HD3  DPR  14           HD2      DPR  14  26.037  25.358   5.907
  Start of MODEL    8
    1    H1   DCY   1           H1       DCY   1  28.620  20.940   6.898
    2    HA   DCY   1           HA       DCY   1  31.505  21.515   7.171
    3    HB2  DCY   1           HB1      DCY   1  29.900  18.912   7.602
    4    HB3  DCY   1           HB2      DCY   1  31.321  19.229   8.346
    5    H    ASN   2           H        ASN   2  32.641  21.589   8.985
    6    HA   ASN   2           HA       ASN   2  31.107  21.303  11.555
    7    HB2  ASN   2           HB2      ASN   2  34.057  20.856  10.923
    8    HB3  ASN   2           HB1      ASN   2  33.186  20.706  12.448
    9   HD21  ASN   2          1HD2      ASN   2  34.109  19.263   9.549
   10   HD22  ASN   2          2HD2      ASN   2  33.268  17.692   9.943
   11    H    DVA   3           H        DVA   3  31.553  23.801   9.849
   12    HA   DVA   3           HA       DVA   3  32.837  25.487  11.847
   13    HB   DVA   3           HB       DVA   3  31.125  27.300  11.302
   14   HG11  DVA   3          1HG1      DVA   3  30.305  25.615   9.434
   15   HG12  DVA   3          2HG1      DVA   3  29.084  26.722  10.254
   16   HG13  DVA   3          3HG1      DVA   3  29.276  25.022  10.721
   17   HG21  DVA   3          1HG2      DVA   3  29.628  26.470  13.022
   18   HG22  DVA   3          2HG2      DVA   3  31.236  26.067  13.443
   19   HG23  DVA   3          3HG2      DVA   3  30.251  24.790  12.764
   20    HA   DPR   4           HA       DPR   4  35.030  26.467   8.351
   21    HB2  DPR   4           HB1      DPR   4  36.281  28.873   8.926
   22    HB3  DPR   4           HB2      DPR   4  36.755  27.335   9.759
   23    HG2  DPR   4           HG1      DPR   4  34.875  29.506  10.761
   24    HG3  DPR   4           HG2      DPR   4  36.106  28.550  11.677
   25    HD2  DPR   4           HD1      DPR   4  33.546  28.072  11.763
   26    HD3  DPR   4           HD2      DPR   4  34.731  26.681  11.845
   27    H    ASP   5           H        ASP   5  35.379  27.957   6.467
   28    HA   ASP   5           HA       ASP   5  32.788  29.089   5.750
   29    HB2  ASP   5           HB2      ASP   5  33.869  30.894   4.760
   30    HB3  ASP   5           HB1      ASP   5  33.831  30.930   6.483
   31    H    VAL   6           H        VAL   6  34.544  26.662   4.822
   32    HA   VAL   6           HA       VAL   6  34.865  27.350   1.932
   33    HB   VAL   6           HB       VAL   6  36.285  25.433   1.832
   34   HG11  VAL   6          1HG1      VAL   6  37.159  27.630   1.864
   35   HG12  VAL   6          2HG1      VAL   6  38.194  26.336   2.749
   36   HG13  VAL   6          3HG1      VAL   6  37.313  27.629   3.564
   37   HG21  VAL   6          1HG2      VAL   6  36.354  25.372   4.851
   38   HG22  VAL   6          2HG2      VAL   6  37.297  24.413   3.824
   39   HG23  VAL   6          3HG2      VAL   6  35.500  24.150   3.897
   40    H    TYR   7           H        TYR   7  34.914  24.747   0.915
   41    HA   TYR   7           HA       TYR   7  32.058  24.181   0.633
   42    HB2  TYR   7           HB2      TYR   7  32.387  22.883  -1.012
   43    HB3  TYR   7           HB1      TYR   7  33.488  24.117  -1.361
   44    HD1  TYR   7           HD1      TYR   7  35.927  23.912  -1.039
   45    HD2  TYR   7           HD2      TYR   7  33.336  20.557  -0.478
   46    HE1  TYR   7           HE1      TYR   7  37.817  22.285  -1.669
   47    HE2  TYR   7           HE2      TYR   7  35.317  19.019  -0.428
   48    HH   TYR   7           HH       TYR   7  37.566  18.896  -0.691
   49    H    CYS   8           H        CYS   8  30.825  22.767   1.401
   50    HA   CYS   8           HA       CYS   8  31.997  20.160   2.113
   51    HB2  CYS   8           HB2      CYS   8  31.905  21.326   4.147
   52    HB3  CYS   8           HB1      CYS   8  30.122  21.595   3.983
   53    HA   DPR   9           HA       DPR   9  27.820  18.718   1.450
   54    HB2  DPR   9           HB1      DPR   9  28.391  16.581  -0.256
   55    HB3  DPR   9           HB2      DPR   9  28.561  16.491   1.505
   56    HG2  DPR   9           HG1      DPR   9  30.676  16.912  -0.637
   57    HG3  DPR   9           HG2      DPR   9  30.864  15.968   0.850
   58    HD2  DPR   9           HD1      DPR   9  31.866  18.337   0.881
   59    HD3  DPR   9           HD2      DPR   9  30.958  17.783   2.297
   60    H    DSG  10           H        DAN  10  30.071  19.668  -1.228
   61    HA   DSG  10           HA       DAN  10  27.837  19.630  -3.063
   62    HB2  DSG  10           HB1      DAN  10  29.403  19.602  -4.757
   63    HB3  DSG  10           HB2      DAN  10  29.846  18.303  -3.556
   64   HD21  DSG  10          1HD2      DAN  10  31.149  20.432  -5.765
   65   HD22  DSG  10          2HD2      DAN  10  32.573  20.870  -4.940
   66    H    LYS  11           H        LYS  11  28.592  21.838  -0.893
   67    HA   LYS  11           HA       LYS  11  28.894  24.138  -2.598
   68    HB2  LYS  11           HB2      LYS  11  26.922  25.179  -1.532
   69    HB3  LYS  11           HB1      LYS  11  26.584  23.792  -2.566
   70    HG2  LYS  11           HG2      LYS  11  26.185  22.374  -0.801
   71    HG3  LYS  11           HG1      LYS  11  26.696  23.469   0.441
   72    HD2  LYS  11           HD2      LYS  11  24.597  24.937  -0.193
   73    HD3  LYS  11           HD1      LYS  11  24.265  23.635  -1.323
   74    HE2  LYS  11           HE2      LYS  11  22.968  23.027   0.445
   75    HE3  LYS  11           HE1      LYS  11  24.329  21.974   0.549
   76    HZ1  LYS  11           HZ1      LYS  11  23.644  23.183   2.649
   77    HZ2  LYS  11           HZ2      LYS  11  24.313  24.480   2.055
   78    HZ3  LYS  11           HZ3      LYS  11  25.218  23.016   2.379
   79    H    TYR  12           H        TYR  12  29.166  26.134  -1.442
   80    HA   TYR  12           HA       TYR  12  30.925  25.800   0.934
   81    HB2  TYR  12           HB2      TYR  12  30.148  28.223  -0.671
   82    HB3  TYR  12           HB1      TYR  12  30.977  28.385   0.934
   83    HD1  TYR  12           HD1      TYR  12  31.590  26.199  -1.960
   84    HD2  TYR  12           HD2      TYR  12  33.087  29.097   0.715
   85    HE1  TYR  12           HE1      TYR  12  33.685  25.925  -3.055
   86    HE2  TYR  12           HE2      TYR  12  35.359  28.692  -0.052
   87    HH   TYR  12           HH       TYR  12  36.672  27.718  -1.622
   88    H    DVA  13           H        DVA  13  30.481  25.659   2.766
   89    HA   DVA  13           HA       DVA  13  28.055  26.862   3.897
   90    HB   DVA  13           HB       DVA  13  28.971  27.391   5.885
   91   HG11  DVA  13          1HG1      DVA  13  30.996  25.820   5.747
   92   HG12  DVA  13          2HG1      DVA  13  31.261  27.424   6.462
   93   HG13  DVA  13          3HG1      DVA  13  31.797  27.224   4.833
   94   HG21  DVA  13          1HG2      DVA  13  30.439  29.354   5.168
   95   HG22  DVA  13          2HG2      DVA  13  28.831  29.301   4.464
   96   HG23  DVA  13          3HG2      DVA  13  30.353  28.793   3.582
   97    HA   DPR  14           HA       DPR  14  27.446  22.668   5.429
   98    HB2  DPR  14           HB1      DPR  14  27.364  23.918   8.167
   99    HB3  DPR  14           HB2      DPR  14  26.201  22.795   7.581
  100    HG2  DPR  14           HG1      DPR  14  25.540  25.479   7.558
  101    HG3  DPR  14           HG2      DPR  14  25.181  24.473   6.128
  102    HD2  DPR  14           HD1      DPR  14  27.351  26.439   6.589
  103    HD3  DPR  14           HD2      DPR  14  26.444  26.027   5.146
  Start of MODEL    9
    1    H1   DCY   1           H1       DCY   1  28.100  21.715   6.252
    2    HA   DCY   1           HA       DCY   1  30.695  21.691   7.158
    3    HB2  DCY   1           HB1      DCY   1  29.114  20.034   5.880
    4    HB3  DCY   1           HB2      DCY   1  29.005  19.216   7.285
    5    H    ASN   2           H        ASN   2  31.535  21.956   8.893
    6    HA   ASN   2           HA       ASN   2  30.176  21.656  11.401
    7    HB2  ASN   2           HB2      ASN   2  33.127  20.949  11.210
    8    HB3  ASN   2           HB1      ASN   2  32.285  20.829  12.601
    9   HD21  ASN   2          1HD2      ASN   2  33.043  19.062   9.787
   10   HD22  ASN   2          2HD2      ASN   2  31.876  17.707   9.967
   11    H    DVA   3           H        DVA   3  31.022  23.988   9.546
   12    HA   DVA   3           HA       DVA   3  32.655  25.566  11.452
   13    HB   DVA   3           HB       DVA   3  31.406  27.531  10.956
   14   HG11  DVA   3          1HG1      DVA   3  29.069  27.431  10.549
   15   HG12  DVA   3          2HG1      DVA   3  29.152  25.695  10.130
   16   HG13  DVA   3          3HG1      DVA   3  30.024  26.808   9.122
   17   HG21  DVA   3          1HG2      DVA   3  29.801  25.309  12.416
   18   HG22  DVA   3          2HG2      DVA   3  29.900  27.002  12.816
   19   HG23  DVA   3          3HG2      DVA   3  31.260  26.001  13.166
   20    HA   DPR   4           HA       DPR   4  34.331  24.837   7.030
   21    HB2  DPR   4           HB1      DPR   4  36.723  25.690   8.550
   22    HB3  DPR   4           HB2      DPR   4  36.637  24.375   7.396
   23    HG2  DPR   4           HG1      DPR   4  36.819  23.862   9.973
   24    HG3  DPR   4           HG2      DPR   4  35.589  22.947   8.969
   25    HD2  DPR   4           HD1      DPR   4  35.192  25.262  10.818
   26    HD3  DPR   4           HD2      DPR   4  34.108  23.881  10.578
   27    H    ASP   5           H        ASP   5  35.338  26.077   5.531
   28    HA   ASP   5           HA       ASP   5  35.761  28.929   6.070
   29    HB2  ASP   5           HB2      ASP   5  37.169  27.214   4.119
   30    HB3  ASP   5           HB1      ASP   5  37.521  28.930   4.322
   31    H    VAL   6           H        VAL   6  35.028  26.637   3.442
   32    HA   VAL   6           HA       VAL   6  33.360  28.770   2.211
   33    HB   VAL   6           HB       VAL   6  34.330  28.395  -0.062
   34   HG11  VAL   6          1HG1      VAL   6  34.896  30.325   1.449
   35   HG12  VAL   6          2HG1      VAL   6  36.202  30.035   0.339
   36   HG13  VAL   6          3HG1      VAL   6  36.364  29.447   1.963
   37   HG21  VAL   6          1HG2      VAL   6  36.459  27.336  -0.304
   38   HG22  VAL   6          2HG2      VAL   6  35.564  26.253   0.548
   39   HG23  VAL   6          3HG2      VAL   6  36.720  27.315   1.497
   40    H    TYR   7           H        TYR   7  34.331  25.335   1.989
   41    HA   TYR   7           HA       TYR   7  31.475  24.713   1.709
   42    HB2  TYR   7           HB2      TYR   7  32.007  23.158  -0.239
   43    HB3  TYR   7           HB1      TYR   7  31.681  24.894  -0.490
   44    HD1  TYR   7           HD1      TYR   7  33.405  26.212  -1.708
   45    HD2  TYR   7           HD2      TYR   7  34.360  22.305  -0.222
   46    HE1  TYR   7           HE1      TYR   7  35.336  26.184  -3.196
   47    HE2  TYR   7           HE2      TYR   7  36.356  22.332  -1.649
   48    HH   TYR   7           HH       TYR   7  37.581  23.445  -3.245
   49    H    CYS   8           H        CYS   8  30.916  22.585   2.132
   50    HA   CYS   8           HA       CYS   8  32.975  20.622   2.306
   51    HB2  CYS   8           HB2      CYS   8  32.711  20.960   4.466
   52    HB3  CYS   8           HB1      CYS   8  30.957  21.301   4.420
   53    HA   DPR   9           HA       DPR   9  29.643  18.045   1.244
   54    HB2  DPR   9           HB1      DPR   9  31.363  17.086  -1.037
   55    HB3  DPR   9           HB2      DPR   9  30.571  16.062   0.184
   56    HG2  DPR   9           HG1      DPR   9  33.184  16.473   0.504
   57    HG3  DPR   9           HG2      DPR   9  32.074  16.606   1.926
   58    HD2  DPR   9           HD1      DPR   9  33.178  18.927   0.194
   59    HD3  DPR   9           HD2      DPR   9  33.236  18.682   1.911
   60    H    DSG  10           H        DAN  10  31.093  19.900  -1.355
   61    HA   DSG  10           HA       DAN  10  28.948  19.446  -3.321
   62    HB2  DSG  10           HB1      DAN  10  30.427  20.877  -4.687
   63    HB3  DSG  10           HB2      DAN  10  31.314  19.595  -3.938
   64   HD21  DSG  10          1HD2      DAN  10  31.263  23.107  -4.185
   65   HD22  DSG  10          2HD2      DAN  10  32.585  23.239  -3.115
   66    H    LYS  11           H        LYS  11  28.972  21.357  -0.525
   67    HA   LYS  11           HA       LYS  11  27.501  23.685  -1.729
   68    HB2  LYS  11           HB2      LYS  11  25.794  23.536  -0.205
   69    HB3  LYS  11           HB1      LYS  11  26.003  21.841  -0.746
   70    HG2  LYS  11           HG2      LYS  11  27.121  21.493   1.415
   71    HG3  LYS  11           HG1      LYS  11  27.120  23.122   1.781
   72    HD2  LYS  11           HD2      LYS  11  24.700  23.062   2.077
   73    HD3  LYS  11           HD1      LYS  11  24.569  21.391   1.412
   74    HE2  LYS  11           HE2      LYS  11  25.980  22.316   3.982
   75    HE3  LYS  11           HE1      LYS  11  24.401  21.709   3.900
   76    HZ1  LYS  11           HZ1      LYS  11  25.587  19.773   4.176
   77    HZ2  LYS  11           HZ2      LYS  11  26.945  20.302   3.375
   78    HZ3  LYS  11           HZ3      LYS  11  25.687  19.782   2.517
   79    H    TYR  12           H        TYR  12  27.440  25.527  -0.611
   80    HA   TYR  12           HA       TYR  12  30.046  26.118   0.491
   81    HB2  TYR  12           HB2      TYR  12  27.685  27.653  -0.491
   82    HB3  TYR  12           HB1      TYR  12  28.496  28.408   0.813
   83    HD1  TYR  12           HD1      TYR  12  29.617  26.433  -2.221
   84    HD2  TYR  12           HD2      TYR  12  29.835  30.003   0.100
   85    HE1  TYR  12           HE1      TYR  12  31.522  27.185  -3.570
   86    HE2  TYR  12           HE2      TYR  12  31.630  30.921  -1.495
   87    HH   TYR  12           HH       TYR  12  32.711  30.483  -3.540
   88    H    DVA  13           H        DVA  13  30.489  26.626   2.600
   89    HA   DVA  13           HA       DVA  13  28.551  27.419   4.358
   90    HB   DVA  13           HB       DVA  13  30.271  27.559   6.006
   91   HG11  DVA  13          1HG1      DVA  13  31.550  25.576   5.558
   92   HG12  DVA  13          2HG1      DVA  13  32.474  27.049   5.644
   93   HG13  DVA  13          3HG1      DVA  13  32.267  26.441   4.019
   94   HG21  DVA  13          1HG2      DVA  13  29.928  29.262   4.588
   95   HG22  DVA  13          2HG2      DVA  13  30.854  28.639   3.237
   96   HG23  DVA  13          3HG2      DVA  13  31.676  29.267   4.736
   97    HA   DPR  14           HA       DPR  14  26.941  23.707   6.180
   98    HB2  DPR  14           HB1      DPR  14  27.388  25.051   8.884
   99    HB3  DPR  14           HB2      DPR  14  25.974  24.188   8.303
  100    HG2  DPR  14           HG1      DPR  14  26.046  26.804   8.287
  101    HG3  DPR  14           HG2      DPR  14  25.384  26.135   6.831
  102    HD2  DPR  14           HD1      DPR  14  28.267  27.156   7.290
  103    HD3  DPR  14           HD2      DPR  14  27.198  27.312   5.844
  Start of MODEL   10
    1    H1   DCY   1           H1       DCY   1  28.710  21.241   7.012
    2    HA   DCY   1           HA       DCY   1  31.653  21.461   7.528
    3    HB2  DCY   1           HB1      DCY   1  29.936  18.984   7.638
    4    HB3  DCY   1           HB2      DCY   1  31.463  19.007   8.075
    5    H    ASN   2           H        ASN   2  32.500  21.526   9.473
    6    HA   ASN   2           HA       ASN   2  30.777  21.330  11.829
    7    HB2  ASN   2           HB2      ASN   2  33.673  20.823  11.583
    8    HB3  ASN   2           HB1      ASN   2  32.753  20.712  13.083
    9   HD21  ASN   2          1HD2      ASN   2  30.950  18.750  13.186
   10   HD22  ASN   2          2HD2      ASN   2  30.933  17.718  11.861
   11    H    DVA   3           H        DVA   3  31.337  23.829  10.143
   12    HA   DVA   3           HA       DVA   3  32.407  25.657  12.161
   13    HB   DVA   3           HB       DVA   3  31.541  27.343  10.767
   14   HG11  DVA   3          1HG1      DVA   3  29.903  25.229   9.454
   15   HG12  DVA   3          2HG1      DVA   3  31.330  25.887   8.632
   16   HG13  DVA   3          3HG1      DVA   3  29.852  26.925   9.031
   17   HG21  DVA   3          1HG2      DVA   3  29.311  27.133  11.465
   18   HG22  DVA   3          2HG2      DVA   3  30.350  26.365  12.743
   19   HG23  DVA   3          3HG2      DVA   3  29.578  25.297  11.759
   20    HA   DPR   4           HA       DPR   4  36.033  26.369   9.662
   21    HB2  DPR   4           HB1      DPR   4  35.359  29.299   9.371
   22    HB3  DPR   4           HB2      DPR   4  36.943  28.507   9.843
   23    HG2  DPR   4           HG1      DPR   4  35.461  29.529  11.705
   24    HG3  DPR   4           HG2      DPR   4  36.332  28.001  11.992
   25    HD2  DPR   4           HD1      DPR   4  33.361  28.434  11.503
   26    HD3  DPR   4           HD2      DPR   4  34.216  27.326  12.462
   27    H    ASP   5           H        ASP   5  36.786  26.373   7.660
   28    HA   ASP   5           HA       ASP   5  36.765  25.910   5.535
   29    HB2  ASP   5           HB2      ASP   5  35.194  24.350   6.979
   30    HB3  ASP   5           HB1      ASP   5  34.036  24.808   5.714
   31    H    VAL   6           H        VAL   6  35.456  25.616   3.466
   32    HA   VAL   6           HA       VAL   6  33.595  27.803   2.957
   33    HB   VAL   6           HB       VAL   6  34.562  27.796   0.521
   34   HG11  VAL   6          1HG1      VAL   6  36.100  29.137   2.801
   35   HG12  VAL   6          2HG1      VAL   6  34.683  29.778   2.055
   36   HG13  VAL   6          3HG1      VAL   6  36.207  29.534   1.099
   37   HG21  VAL   6          1HG2      VAL   6  37.026  27.527   0.403
   38   HG22  VAL   6          2HG2      VAL   6  36.283  25.945   0.728
   39   HG23  VAL   6          3HG2      VAL   6  36.943  26.854   2.052
   40    H    TYR   7           H        TYR   7  34.217  24.488   2.432
   41    HA   TYR   7           HA       TYR   7  31.715  24.245   0.878
   42    HB2  TYR   7           HB2      TYR   7  34.561  23.528   0.059
   43    HB3  TYR   7           HB1      TYR   7  33.426  22.372  -0.316
   44    HD1  TYR   7           HD1      TYR   7  31.683  22.828  -2.008
   45    HD2  TYR   7           HD2      TYR   7  34.673  25.709  -1.123
   46    HE1  TYR   7           HE1      TYR   7  31.087  24.029  -4.124
   47    HE2  TYR   7           HE2      TYR   7  34.279  26.809  -3.240
   48    HH   TYR   7           HH       TYR   7  32.922  26.874  -5.178
   49    H    CYS   8           H        CYS   8  30.542  22.620   1.258
   50    HA   CYS   8           HA       CYS   8  31.560  20.211   2.440
   51    HB2  CYS   8           HB2      CYS   8  30.780  21.669   4.354
   52    HB3  CYS   8           HB1      CYS   8  29.227  21.542   3.709
   53    HA   DPR   9           HA       DPR   9  27.706  18.884   0.816
   54    HB2  DPR   9           HB1      DPR   9  29.094  16.433  -0.501
   55    HB3  DPR   9           HB2      DPR   9  27.674  16.525   0.473
   56    HG2  DPR   9           HG1      DPR   9  30.014  15.817   1.701
   57    HG3  DPR   9           HG2      DPR   9  28.938  16.948   2.600
   58    HD2  DPR   9           HD1      DPR   9  31.182  17.698   0.690
   59    HD3  DPR   9           HD2      DPR   9  30.903  18.274   2.461
   60    H    DSG  10           H        DAN  10  30.245  19.315  -1.116
   61    HA   DSG  10           HA       DAN  10  28.723  19.329  -3.639
   62    HB2  DSG  10           HB1      DAN  10  30.811  19.747  -4.695
   63    HB3  DSG  10           HB2      DAN  10  30.924  18.372  -3.612
   64   HD21  DSG  10          1HD2      DAN  10  33.266  20.460  -4.688
   65   HD22  DSG  10          2HD2      DAN  10  33.849  20.973  -3.125
   66    H    LYS  11           H        LYS  11  28.809  21.554  -1.293
   67    HA   LYS  11           HA       LYS  11  28.866  23.901  -3.073
   68    HB2  LYS  11           HB2      LYS  11  26.512  23.034  -1.439
   69    HB3  LYS  11           HB1      LYS  11  26.650  24.646  -2.256
   70    HG2  LYS  11           HG2      LYS  11  26.890  23.495  -4.439
   71    HG3  LYS  11           HG1      LYS  11  26.736  21.981  -3.644
   72    HD2  LYS  11           HD2      LYS  11  24.592  24.120  -3.890
   73    HD3  LYS  11           HD1      LYS  11  24.735  22.628  -4.714
   74    HE2  LYS  11           HE2      LYS  11  24.790  21.371  -2.281
   75    HE3  LYS  11           HE1      LYS  11  24.051  22.789  -1.862
   76    HZ1  LYS  11           HZ1      LYS  11  22.388  22.436  -3.754
   77    HZ2  LYS  11           HZ2      LYS  11  22.314  21.204  -2.710
   78    HZ3  LYS  11           HZ3      LYS  11  23.180  21.010  -4.026
   79    H    TYR  12           H        TYR  12  28.097  25.933  -1.441
   80    HA   TYR  12           HA       TYR  12  30.345  26.144   0.112
   81    HB2  TYR  12           HB2      TYR  12  28.750  27.770  -1.417
   82    HB3  TYR  12           HB1      TYR  12  28.504  28.325   0.246
   83    HD1  TYR  12           HD1      TYR  12  31.282  27.354  -2.011
   84    HD2  TYR  12           HD2      TYR  12  29.950  29.999   1.043
   85    HE1  TYR  12           HE1      TYR  12  33.446  28.725  -2.238
   86    HE2  TYR  12           HE2      TYR  12  32.026  31.199   0.958
   87    HH   TYR  12           HH       TYR  12  34.188  31.445  -0.140
   88    H    DVA  13           H        DVA  13  30.705  26.380   2.369
   89    HA   DVA  13           HA       DVA  13  28.444  27.087   4.105
   90    HB   DVA  13           HB       DVA  13  29.909  27.378   5.865
   91   HG11  DVA  13          1HG1      DVA  13  31.487  25.705   5.838
   92   HG12  DVA  13          2HG1      DVA  13  32.413  27.203   5.285
   93   HG13  DVA  13          3HG1      DVA  13  31.845  25.983   4.052
   94   HG21  DVA  13          1HG2      DVA  13  31.299  29.103   4.771
   95   HG22  DVA  13          2HG2      DVA  13  29.653  29.024   4.063
   96   HG23  DVA  13          3HG2      DVA  13  31.156  28.451   3.278
   97    HA   DPR  14           HA       DPR  14  27.923  22.948   5.558
   98    HB2  DPR  14           HB1      DPR  14  27.689  23.767   8.432
   99    HB3  DPR  14           HB2      DPR  14  26.374  22.925   7.583
  100    HG2  DPR  14           HG1      DPR  14  26.072  25.566   7.954
  101    HG3  DPR  14           HG2      DPR  14  25.763  24.848   6.324
  102    HD2  DPR  14           HD1      DPR  14  28.181  26.368   7.289
  103    HD3  DPR  14           HD2      DPR  14  27.228  26.562   5.785
  Start of MODEL   11
    1    H1   DCY   1           H1       DCY   1  28.061  22.004   7.371
    2    HA   DCY   1           HA       DCY   1  31.014  21.768   7.306
    3    HB2  DCY   1           HB1      DCY   1  28.700  19.880   7.490
    4    HB3  DCY   1           HB2      DCY   1  30.187  19.332   8.352
    5    H    ASN   2           H        ASN   2  31.973  21.111   9.417
    6    HA   ASN   2           HA       ASN   2  30.383  21.363  11.730
    7    HB2  ASN   2           HB2      ASN   2  33.038  19.831  11.406
    8    HB3  ASN   2           HB1      ASN   2  31.979  19.915  12.882
    9   HD21  ASN   2          1HD2      ASN   2  32.664  18.076  10.137
   10   HD22  ASN   2          2HD2      ASN   2  31.285  17.067  10.260
   11    H    DVA   3           H        DVA   3  32.160  23.171   9.895
   12    HA   DVA   3           HA       DVA   3  33.372  24.879  11.964
   13    HB   DVA   3           HB       DVA   3  32.291  26.838  11.020
   14   HG11  DVA   3          1HG1      DVA   3  30.204  26.666   9.752
   15   HG12  DVA   3          2HG1      DVA   3  30.287  24.929   9.883
   16   HG13  DVA   3          3HG1      DVA   3  31.469  25.827   8.814
   17   HG21  DVA   3          1HG2      DVA   3  30.099  26.458  12.124
   18   HG22  DVA   3          2HG2      DVA   3  31.470  26.054  13.082
   19   HG23  DVA   3          3HG2      DVA   3  30.556  24.759  12.315
   20    HA   DPR   4           HA       DPR   4  36.716  26.004   9.063
   21    HB2  DPR   4           HB1      DPR   4  35.412  28.683   9.056
   22    HB3  DPR   4           HB2      DPR   4  37.110  28.211   9.090
   23    HG2  DPR   4           HG1      DPR   4  36.014  28.882  11.402
   24    HG3  DPR   4           HG2      DPR   4  36.974  27.387  11.283
   25    HD2  DPR   4           HD1      DPR   4  33.985  27.542  11.381
   26    HD3  DPR   4           HD2      DPR   4  35.095  26.480  12.249
   27    H    ASP   5           H        ASP   5  37.257  26.203   7.074
   28    HA   ASP   5           HA       ASP   5  37.084  26.034   4.822
   29    HB2  ASP   5           HB2      ASP   5  35.738  23.940   5.875
   30    HB3  ASP   5           HB1      ASP   5  34.586  24.554   4.744
   31    H    VAL   6           H        VAL   6  35.498  26.005   2.966
   32    HA   VAL   6           HA       VAL   6  33.336  27.953   3.261
   33    HB   VAL   6           HB       VAL   6  33.636  28.916   0.978
   34   HG11  VAL   6          1HG1      VAL   6  35.869  29.645   2.754
   35   HG12  VAL   6          2HG1      VAL   6  34.268  30.098   3.301
   36   HG13  VAL   6          3HG1      VAL   6  34.873  30.604   1.707
   37   HG21  VAL   6          1HG2      VAL   6  35.118  27.215   0.084
   38   HG22  VAL   6          2HG2      VAL   6  36.370  27.695   1.253
   39   HG23  VAL   6          3HG2      VAL   6  35.858  28.879   0.095
   40    H    TYR   7           H        TYR   7  34.444  24.995   1.986
   41    HA   TYR   7           HA       TYR   7  31.902  24.447   0.655
   42    HB2  TYR   7           HB2      TYR   7  34.580  23.165   0.470
   43    HB3  TYR   7           HB1      TYR   7  33.224  22.404  -0.231
   44    HD1  TYR   7           HD1      TYR   7  31.902  23.764  -2.108
   45    HD2  TYR   7           HD2      TYR   7  35.767  25.057  -0.671
   46    HE1  TYR   7           HE1      TYR   7  32.210  25.131  -4.142
   47    HE2  TYR   7           HE2      TYR   7  36.062  26.352  -2.631
   48    HH   TYR   7           HH       TYR   7  35.047  27.313  -4.327
   49    H    CYS   8           H        CYS   8  30.547  22.685   1.033
   50    HA   CYS   8           HA       CYS   8  31.774  20.596   2.591
   51    HB2  CYS   8           HB2      CYS   8  30.873  21.740   4.413
   52    HB3  CYS   8           HB1      CYS   8  29.306  22.033   3.459
   53    HA   DPR   9           HA       DPR   9  28.398  17.962   1.157
   54    HB2  DPR   9           HB1      DPR   9  30.474  16.693  -0.402
   55    HB3  DPR   9           HB2      DPR   9  29.246  15.952   0.786
   56    HG2  DPR   9           HG1      DPR   9  31.867  16.083   1.379
   57    HG3  DPR   9           HG2      DPR   9  30.523  16.167   2.565
   58    HD2  DPR   9           HD1      DPR   9  32.267  18.358   1.484
   59    HD3  DPR   9           HD2      DPR   9  31.526  18.274   3.062
   60    H    DSG  10           H        DAN  10  30.970  19.348  -1.084
   61    HA   DSG  10           HA       DAN  10  29.190  19.159  -3.438
   62    HB2  DSG  10           HB1      DAN  10  30.983  19.880  -4.711
   63    HB3  DSG  10           HB2      DAN  10  31.480  18.677  -3.514
   64   HD21  DSG  10          1HD2      DAN  10  32.008  21.927  -4.585
   65   HD22  DSG  10          2HD2      DAN  10  33.204  22.315  -3.387
   66    H    LYS  11           H        LYS  11  29.260  21.580  -1.078
   67    HA   LYS  11           HA       LYS  11  28.488  23.713  -2.960
   68    HB2  LYS  11           HB2      LYS  11  26.380  24.002  -1.929
   69    HB3  LYS  11           HB1      LYS  11  26.407  22.384  -2.437
   70    HG2  LYS  11           HG2      LYS  11  26.683  21.386  -0.396
   71    HG3  LYS  11           HG1      LYS  11  27.089  22.961   0.393
   72    HD2  LYS  11           HD2      LYS  11  24.865  23.203   0.859
   73    HD3  LYS  11           HD1      LYS  11  24.616  23.465  -0.851
   74    HE2  LYS  11           HE2      LYS  11  23.197  21.857  -0.737
   75    HE3  LYS  11           HE1      LYS  11  24.603  20.720  -0.947
   76    HZ1  LYS  11           HZ1      LYS  11  24.507  20.579   1.552
   77    HZ2  LYS  11           HZ2      LYS  11  22.984  20.302   0.964
   78    HZ3  LYS  11           HZ3      LYS  11  23.296  21.712   1.515
   79    H    TYR  12           H        TYR  12  27.753  25.668  -1.590
   80    HA   TYR  12           HA       TYR  12  29.976  26.385   0.024
   81    HB2  TYR  12           HB2      TYR  12  27.976  27.825  -1.390
   82    HB3  TYR  12           HB1      TYR  12  27.834  28.199   0.327
   83    HD1  TYR  12           HD1      TYR  12  30.420  27.482  -2.234
   84    HD2  TYR  12           HD2      TYR  12  29.100  30.268   0.744
   85    HE1  TYR  12           HE1      TYR  12  32.471  28.789  -2.523
   86    HE2  TYR  12           HE2      TYR  12  31.232  31.576   0.592
   87    HH   TYR  12           HH       TYR  12  32.905  32.006  -0.846
   88    H    DVA  13           H        DVA  13  30.226  26.837   1.995
   89    HA   DVA  13           HA       DVA  13  28.032  27.280   3.676
   90    HB   DVA  13           HB       DVA  13  29.293  27.922   5.303
   91   HG11  DVA  13          1HG1      DVA  13  31.894  27.727   5.096
   92   HG12  DVA  13          2HG1      DVA  13  31.635  26.361   3.980
   93   HG13  DVA  13          3HG1      DVA  13  31.063  26.198   5.631
   94   HG21  DVA  13          1HG2      DVA  13  29.306  29.515   3.579
   95   HG22  DVA  13          2HG2      DVA  13  30.808  28.843   3.022
   96   HG23  DVA  13          3HG2      DVA  13  30.688  29.731   4.596
   97    HA   DPR  14           HA       DPR  14  27.192  23.556   5.837
   98    HB2  DPR  14           HB1      DPR  14  27.990  24.966   8.409
   99    HB3  DPR  14           HB2      DPR  14  26.514  23.930   8.119
  100    HG2  DPR  14           HG1      DPR  14  26.365  26.625   8.260
  101    HG3  DPR  14           HG2      DPR  14  25.513  25.798   6.832
  102    HD2  DPR  14           HD1      DPR  14  28.127  27.163   6.875
  103    HD3  DPR  14           HD2      DPR  14  26.881  27.155   5.661
  Start of MODEL   12
    1    H1   DCY   1           H1       DCY   1  28.101  21.136   7.147
    2    HA   DCY   1           HA       DCY   1  30.889  21.911   7.180
    3    HB2  DCY   1           HB1      DCY   1  29.506  19.271   7.623
    4    HB3  DCY   1           HB2      DCY   1  31.153  19.451   8.162
    5    H    ASN   2           H        ASN   2  32.186  21.399   9.433
    6    HA   ASN   2           HA       ASN   2  30.410  22.019  11.721
    7    HB2  ASN   2           HB2      ASN   2  33.114  20.611  11.656
    8    HB3  ASN   2           HB1      ASN   2  32.074  21.143  13.034
    9   HD21  ASN   2          1HD2      ASN   2  29.405  20.223  12.360
   10   HD22  ASN   2          2HD2      ASN   2  29.747  18.503  12.133
   11    H    DVA   3           H        DVA   3  32.582  23.782   9.768
   12    HA   DVA   3           HA       DVA   3  33.545  25.555  11.961
   13    HB   DVA   3           HB       DVA   3  32.433  27.495  10.876
   14   HG11  DVA   3          1HG1      DVA   3  30.879  27.473   9.438
   15   HG12  DVA   3          2HG1      DVA   3  30.242  25.795   9.644
   16   HG13  DVA   3          3HG1      DVA   3  31.763  26.236   8.760
   17   HG21  DVA   3          1HG2      DVA   3  30.648  25.637  12.354
   18   HG22  DVA   3          2HG2      DVA   3  30.419  27.357  11.849
   19   HG23  DVA   3          3HG2      DVA   3  31.609  26.920  13.025
   20    HA   DPR   4           HA       DPR   4  36.857  26.926   9.195
   21    HB2  DPR   4           HB1      DPR   4  35.066  29.378   9.294
   22    HB3  DPR   4           HB2      DPR   4  36.913  29.312   9.058
   23    HG2  DPR   4           HG1      DPR   4  36.322  29.545  11.512
   24    HG3  DPR   4           HG2      DPR   4  37.303  28.176  11.084
   25    HD2  DPR   4           HD1      DPR   4  34.382  28.260  11.632
   26    HD3  DPR   4           HD2      DPR   4  35.615  27.038  12.152
   27    H    ASP   5           H        ASP   5  37.183  28.021   7.199
   28    HA   ASP   5           HA       ASP   5  36.964  28.205   4.889
   29    HB2  ASP   5           HB2      ASP   5  37.284  25.704   5.745
   30    HB3  ASP   5           HB1      ASP   5  35.648  25.509   5.217
   31    H    VAL   6           H        VAL   6  35.021  26.686   3.156
   32    HA   VAL   6           HA       VAL   6  32.427  27.798   3.826
   33    HB   VAL   6           HB       VAL   6  32.251  28.706   1.433
   34   HG11  VAL   6          1HG1      VAL   6  32.942  30.896   1.957
   35   HG12  VAL   6          2HG1      VAL   6  34.028  30.217   3.325
   36   HG13  VAL   6          3HG1      VAL   6  32.297  30.006   3.345
   37   HG21  VAL   6          1HG2      VAL   6  34.471  27.824   0.519
   38   HG22  VAL   6          2HG2      VAL   6  35.230  29.140   1.471
   39   HG23  VAL   6          3HG2      VAL   6  33.877  29.359   0.205
   40    H    TYR   7           H        TYR   7  34.391  25.256   2.347
   41    HA   TYR   7           HA       TYR   7  32.178  24.383   0.567
   42    HB2  TYR   7           HB2      TYR   7  35.121  24.289   0.547
   43    HB3  TYR   7           HB1      TYR   7  34.150  22.935  -0.097
   44    HD1  TYR   7           HD1      TYR   7  32.541  26.087  -0.438
   45    HD2  TYR   7           HD2      TYR   7  35.437  23.491  -2.149
   46    HE1  TYR   7           HE1      TYR   7  32.567  27.511  -2.471
   47    HE2  TYR   7           HE2      TYR   7  35.325  24.889  -4.317
   48    HH   TYR   7           HH       TYR   7  34.489  26.699  -5.349
   49    H    CYS   8           H        CYS   8  30.740  22.818   1.029
   50    HA   CYS   8           HA       CYS   8  31.785  20.616   2.579
   51    HB2  CYS   8           HB2      CYS   8  30.800  22.097   4.409
   52    HB3  CYS   8           HB1      CYS   8  29.317  22.081   3.418
   53    HA   DPR   9           HA       DPR   9  28.416  18.288   0.693
   54    HB2  DPR   9           HB1      DPR   9  30.787  16.814  -0.403
   55    HB3  DPR   9           HB2      DPR   9  29.193  16.182   0.260
   56    HG2  DPR   9           HG1      DPR   9  31.491  16.137   1.786
   57    HG3  DPR   9           HG2      DPR   9  29.886  16.730   2.375
   58    HD2  DPR   9           HD1      DPR   9  32.200  18.251   1.023
   59    HD3  DPR   9           HD2      DPR   9  31.649  18.580   2.648
   60    H    DSG  10           H        DAN  10  30.947  19.727  -1.119
   61    HA   DSG  10           HA       DAN  10  29.841  19.367  -3.734
   62    HB2  DSG  10           HB1      DAN  10  31.297  21.166  -4.416
   63    HB3  DSG  10           HB2      DAN  10  32.134  19.765  -3.649
   64   HD21  DSG  10          1HD2      DAN  10  31.846  23.230  -3.673
   65   HD22  DSG  10          2HD2      DAN  10  32.555  23.559  -2.119
   66    H    LYS  11           H        LYS  11  29.422  21.803  -1.153
   67    HA   LYS  11           HA       LYS  11  27.939  23.526  -2.860
   68    HB2  LYS  11           HB2      LYS  11  26.918  22.478  -0.214
   69    HB3  LYS  11           HB1      LYS  11  26.121  23.725  -1.098
   70    HG2  LYS  11           HG2      LYS  11  25.951  22.057  -3.166
   71    HG3  LYS  11           HG1      LYS  11  26.444  20.891  -1.966
   72    HD2  LYS  11           HD2      LYS  11  24.498  21.646  -0.560
   73    HD3  LYS  11           HD1      LYS  11  23.767  22.584  -1.810
   74    HE2  LYS  11           HE2      LYS  11  23.147  20.787  -3.044
   75    HE3  LYS  11           HE1      LYS  11  24.682  19.906  -2.731
   76    HZ1  LYS  11           HZ1      LYS  11  22.342  20.176  -0.894
   77    HZ2  LYS  11           HZ2      LYS  11  23.687  19.313  -0.510
   78    HZ3  LYS  11           HZ3      LYS  11  22.840  18.852  -1.702
   79    H    TYR  12           H        TYR  12  27.522  25.505  -1.570
   80    HA   TYR  12           HA       TYR  12  29.624  26.429   0.203
   81    HB2  TYR  12           HB2      TYR  12  27.084  27.668  -0.913
   82    HB3  TYR  12           HB1      TYR  12  27.893  28.156   0.567
   83    HD1  TYR  12           HD1      TYR  12  29.226  27.275  -2.837
   84    HD2  TYR  12           HD2      TYR  12  28.971  30.032   0.416
   85    HE1  TYR  12           HE1      TYR  12  31.084  28.737  -3.817
   86    HE2  TYR  12           HE2      TYR  12  30.904  31.291  -0.409
   87    HH   TYR  12           HH       TYR  12  32.642  31.334  -2.194
   88    H    DVA  13           H        DVA  13  29.340  27.025   2.414
   89    HA   DVA  13           HA       DVA  13  26.938  26.406   3.731
   90    HB   DVA  13           HB       DVA  13  28.032  27.367   5.770
   91   HG11  DVA  13          1HG1      DVA  13  30.042  26.798   6.233
   92   HG12  DVA  13          2HG1      DVA  13  30.512  28.298   5.334
   93   HG13  DVA  13          3HG1      DVA  13  30.642  26.620   4.650
   94   HG21  DVA  13          1HG2      DVA  13  27.432  28.768   3.717
   95   HG22  DVA  13          2HG2      DVA  13  29.100  28.978   3.341
   96   HG23  DVA  13          3HG2      DVA  13  28.539  29.564   4.925
   97    HA   DPR  14           HA       DPR  14  27.583  22.421   5.195
   98    HB2  DPR  14           HB1      DPR  14  25.867  22.104   7.378
   99    HB3  DPR  14           HB2      DPR  14  25.350  22.408   5.638
  100    HG2  DPR  14           HG1      DPR  14  25.774  24.361   7.879
  101    HG3  DPR  14           HG2      DPR  14  24.356  24.211   6.733
  102    HD2  DPR  14           HD1      DPR  14  26.434  26.088   6.312
  103    HD3  DPR  14           HD2      DPR  14  25.408  25.416   5.053
  Start of MODEL   13
    1    H1   DCY   1           H1       DCY   1  28.060  21.737   6.903
    2    HA   DCY   1           HA       DCY   1  30.967  21.422   7.372
    3    HB2  DCY   1           HB1      DCY   1  28.811  19.349   7.244
    4    HB3  DCY   1           HB2      DCY   1  30.037  19.106   8.380
    5    H    ASN   2           H        ASN   2  31.932  20.653   9.349
    6    HA   ASN   2           HA       ASN   2  30.414  21.375  11.719
    7    HB2  ASN   2           HB2      ASN   2  33.092  19.927  11.255
    8    HB3  ASN   2           HB1      ASN   2  32.225  20.094  12.824
    9   HD21  ASN   2          1HD2      ASN   2  32.480  18.135  10.117
   10   HD22  ASN   2          2HD2      ASN   2  30.965  17.257  10.370
   11    H    DVA   3           H        DVA   3  32.063  23.304   9.846
   12    HA   DVA   3           HA       DVA   3  32.906  25.161  11.970
   13    HB   DVA   3           HB       DVA   3  31.708  26.917  10.917
   14   HG11  DVA   3          1HG1      DVA   3  29.977  24.794   9.549
   15   HG12  DVA   3          2HG1      DVA   3  31.065  25.900   8.711
   16   HG13  DVA   3          3HG1      DVA   3  29.728  26.583   9.597
   17   HG21  DVA   3          1HG2      DVA   3  29.644  26.556  11.985
   18   HG22  DVA   3          2HG2      DVA   3  30.922  25.889  12.919
   19   HG23  DVA   3          3HG2      DVA   3  29.997  24.739  12.047
   20    HA   DPR   4           HA       DPR   4  36.233  25.844   9.177
   21    HB2  DPR   4           HB1      DPR   4  35.805  28.748   8.821
   22    HB3  DPR   4           HB2      DPR   4  37.163  27.972   9.703
   23    HG2  DPR   4           HG1      DPR   4  35.274  29.306  11.295
   24    HG3  DPR   4           HG2      DPR   4  36.046  27.795  11.698
   25    HD2  DPR   4           HD1      DPR   4  33.443  28.237  10.298
   26    HD3  DPR   4           HD2      DPR   4  33.830  27.295  11.822
   27    H    ASP   5           H        ASP   5  37.107  27.120   7.239
   28    HA   ASP   5           HA       ASP   5  37.287  26.770   5.104
   29    HB2  ASP   5           HB2      ASP   5  36.489  24.545   6.261
   30    HB3  ASP   5           HB1      ASP   5  35.001  24.753   5.259
   31    H    VAL   6           H        VAL   6  35.644  25.905   3.026
   32    HA   VAL   6           HA       VAL   6  33.706  28.152   2.918
   33    HB   VAL   6           HB       VAL   6  34.307  28.436   0.469
   34   HG11  VAL   6          1HG1      VAL   6  34.639  30.077   2.155
   35   HG12  VAL   6          2HG1      VAL   6  36.062  30.042   1.060
   36   HG13  VAL   6          3HG1      VAL   6  36.175  29.420   2.731
   37   HG21  VAL   6          1HG2      VAL   6  36.556  28.051  -0.256
   38   HG22  VAL   6          2HG2      VAL   6  36.127  26.483   0.482
   39   HG23  VAL   6          3HG2      VAL   6  37.101  27.617   1.399
   40    H    TYR   7           H        TYR   7  34.478  24.760   2.266
   41    HA   TYR   7           HA       TYR   7  31.803  24.439   0.968
   42    HB2  TYR   7           HB2      TYR   7  34.595  23.289   0.302
   43    HB3  TYR   7           HB1      TYR   7  33.045  22.394  -0.050
   44    HD1  TYR   7           HD1      TYR   7  31.555  23.050  -1.795
   45    HD2  TYR   7           HD2      TYR   7  35.181  25.103  -1.006
   46    HE1  TYR   7           HE1      TYR   7  31.228  24.335  -3.832
   47    HE2  TYR   7           HE2      TYR   7  34.961  26.410  -3.198
   48    HH   TYR   7           HH       TYR   7  33.588  26.889  -4.865
   49    H    CYS   8           H        CYS   8  30.712  22.677   1.409
   50    HA   CYS   8           HA       CYS   8  31.964  20.387   2.706
   51    HB2  CYS   8           HB2      CYS   8  31.039  21.454   4.663
   52    HB3  CYS   8           HB1      CYS   8  29.431  21.661   3.770
   53    HA   DPR   9           HA       DPR   9  28.771  17.968   1.313
   54    HB2  DPR   9           HB1      DPR   9  30.885  16.972  -0.668
   55    HB3  DPR   9           HB2      DPR   9  29.529  16.059   0.225
   56    HG2  DPR   9           HG1      DPR   9  31.860  16.110   1.212
   57    HG3  DPR   9           HG2      DPR   9  30.583  16.663   2.375
   58    HD2  DPR   9           HD1      DPR   9  32.496  18.492   0.862
   59    HD3  DPR   9           HD2      DPR   9  32.033  18.371   2.512
   60    H    DSG  10           H        DAN  10  30.659  19.121  -1.507
   61    HA   DSG  10           HA       DAN  10  28.518  19.109  -3.258
   62    HB2  DSG  10           HB1      DAN  10  30.144  19.792  -4.937
   63    HB3  DSG  10           HB2      DAN  10  30.651  18.371  -3.990
   64   HD21  DSG  10          1HD2      DAN  10  31.645  21.375  -5.060
   65   HD22  DSG  10          2HD2      DAN  10  33.014  21.610  -3.915
   66    H    LYS  11           H        LYS  11  28.966  21.454  -1.060
   67    HA   LYS  11           HA       LYS  11  28.374  23.789  -2.742
   68    HB2  LYS  11           HB2      LYS  11  26.582  22.598  -0.546
   69    HB3  LYS  11           HB1      LYS  11  26.233  24.137  -1.311
   70    HG2  LYS  11           HG2      LYS  11  25.801  22.839  -3.539
   71    HG3  LYS  11           HG1      LYS  11  26.187  21.396  -2.596
   72    HD2  LYS  11           HD2      LYS  11  24.451  21.846  -1.135
   73    HD3  LYS  11           HD1      LYS  11  24.097  23.431  -1.891
   74    HE2  LYS  11           HE2      LYS  11  23.393  22.280  -3.959
   75    HE3  LYS  11           HE1      LYS  11  24.005  20.761  -3.308
   76    HZ1  LYS  11           HZ1      LYS  11  21.724  22.423  -2.193
   77    HZ2  LYS  11           HZ2      LYS  11  22.234  21.066  -1.531
   78    HZ3  LYS  11           HZ3      LYS  11  21.544  21.023  -3.025
   79    H    TYR  12           H        TYR  12  27.680  25.695  -1.274
   80    HA   TYR  12           HA       TYR  12  30.159  26.136   0.190
   81    HB2  TYR  12           HB2      TYR  12  28.482  27.677  -1.459
   82    HB3  TYR  12           HB1      TYR  12  28.398  28.462  -0.033
   83    HD1  TYR  12           HD1      TYR  12  30.542  27.344  -2.731
   84    HD2  TYR  12           HD2      TYR  12  30.162  29.766   0.710
   85    HE1  TYR  12           HE1      TYR  12  32.393  28.741  -3.536
   86    HE2  TYR  12           HE2      TYR  12  32.102  31.272  -0.127
   87    HH   TYR  12           HH       TYR  12  33.780  31.511  -1.780
   88    H    DVA  13           H        DVA  13  30.474  26.806   2.195
   89    HA   DVA  13           HA       DVA  13  28.337  27.415   3.941
   90    HB   DVA  13           HB       DVA  13  29.939  27.850   5.579
   91   HG11  DVA  13          1HG1      DVA  13  31.860  26.207   3.961
   92   HG12  DVA  13          2HG1      DVA  13  31.479  25.974   5.629
   93   HG13  DVA  13          3HG1      DVA  13  32.531  27.355   5.063
   94   HG21  DVA  13          1HG2      DVA  13  30.065  29.546   3.713
   95   HG22  DVA  13          2HG2      DVA  13  31.367  28.530   2.972
   96   HG23  DVA  13          3HG2      DVA  13  31.638  29.325   4.464
   97    HA   DPR  14           HA       DPR  14  27.541  23.355   5.520
   98    HB2  DPR  14           HB1      DPR  14  27.591  24.156   8.342
   99    HB3  DPR  14           HB2      DPR  14  26.244  23.577   7.361
  100    HG2  DPR  14           HG1      DPR  14  26.632  26.316   8.161
  101    HG3  DPR  14           HG2      DPR  14  25.655  25.778   6.786
  102    HD2  DPR  14           HD1      DPR  14  28.385  26.953   6.898
  103    HD3  DPR  14           HD2      DPR  14  27.113  26.985   5.522
  Start of MODEL   14
    1    H1   DCY   1           H1       DCY   1  27.967  21.439   7.074
    2    HA   DCY   1           HA       DCY   1  30.961  21.451   7.426
    3    HB2  DCY   1           HB1      DCY   1  28.850  19.229   7.654
    4    HB3  DCY   1           HB2      DCY   1  30.591  19.104   8.007
    5    H    ASN   2           H        ASN   2  31.960  20.871   9.423
    6    HA   ASN   2           HA       ASN   2  30.280  21.822  11.551
    7    HB2  ASN   2           HB2      ASN   2  32.706  20.096  11.978
    8    HB3  ASN   2           HB1      ASN   2  31.486  20.465  13.197
    9   HD21  ASN   2          1HD2      ASN   2  29.476  19.125  13.325
   10   HD22  ASN   2          2HD2      ASN   2  29.415  17.787  12.282
   11    H    DVA   3           H        DVA   3  32.256  23.133   9.691
   12    HA   DVA   3           HA       DVA   3  33.345  24.865  11.811
   13    HB   DVA   3           HB       DVA   3  32.049  26.811  10.976
   14   HG11  DVA   3          1HG1      DVA   3  31.694  26.037   8.661
   15   HG12  DVA   3          2HG1      DVA   3  30.215  26.494   9.469
   16   HG13  DVA   3          3HG1      DVA   3  30.524  24.826   9.132
   17   HG21  DVA   3          1HG2      DVA   3  30.006  24.707  11.559
   18   HG22  DVA   3          2HG2      DVA   3  30.079  26.383  12.093
   19   HG23  DVA   3          3HG2      DVA   3  31.115  25.233  12.865
   20    HA   DPR   4           HA       DPR   4  36.522  26.065   9.216
   21    HB2  DPR   4           HB1      DPR   4  35.745  29.040   9.319
   22    HB3  DPR   4           HB2      DPR   4  37.348  28.299   9.591
   23    HG2  DPR   4           HG1      DPR   4  35.932  29.066  11.788
   24    HG3  DPR   4           HG2      DPR   4  36.660  27.501  11.793
   25    HD2  DPR   4           HD1      DPR   4  33.779  27.933  11.175
   26    HD3  DPR   4           HD2      DPR   4  34.461  26.806  12.182
   27    H    ASP   5           H        ASP   5  37.156  26.229   7.321
   28    HA   ASP   5           HA       ASP   5  37.129  26.062   5.103
   29    HB2  ASP   5           HB2      ASP   5  35.572  24.166   6.285
   30    HB3  ASP   5           HB1      ASP   5  34.574  24.782   4.997
   31    H    VAL   6           H        VAL   6  34.950  25.699   3.392
   32    HA   VAL   6           HA       VAL   6  33.559  28.083   3.011
   33    HB   VAL   6           HB       VAL   6  34.134  28.376   0.628
   34   HG11  VAL   6          1HG1      VAL   6  34.560  30.001   2.499
   35   HG12  VAL   6          2HG1      VAL   6  35.865  30.155   1.253
   36   HG13  VAL   6          3HG1      VAL   6  36.246  29.276   2.670
   37   HG21  VAL   6          1HG2      VAL   6  35.640  26.691   0.170
   38   HG22  VAL   6          2HG2      VAL   6  36.738  27.184   1.619
   39   HG23  VAL   6          3HG2      VAL   6  36.623  28.177   0.219
   40    H    TYR   7           H        TYR   7  34.283  24.786   1.938
   41    HA   TYR   7           HA       TYR   7  31.484  24.650   0.976
   42    HB2  TYR   7           HB2      TYR   7  33.740  22.895   0.219
   43    HB3  TYR   7           HB1      TYR   7  32.131  22.737  -0.456
   44    HD1  TYR   7           HD1      TYR   7  31.348  24.402  -2.117
   45    HD2  TYR   7           HD2      TYR   7  35.410  24.418  -0.596
   46    HE1  TYR   7           HE1      TYR   7  32.277  25.751  -4.121
   47    HE2  TYR   7           HE2      TYR   7  36.096  25.906  -2.427
   48    HH   TYR   7           HH       TYR   7  35.524  26.833  -4.388
   49    H    CYS   8           H        CYS   8  30.448  22.745   1.311
   50    HA   CYS   8           HA       CYS   8  31.542  20.478   2.925
   51    HB2  CYS   8           HB2      CYS   8  30.330  21.877   4.540
   52    HB3  CYS   8           HB1      CYS   8  28.914  21.901   3.411
   53    HA   DPR   9           HA       DPR   9  28.418  18.025   1.029
   54    HB2  DPR   9           HB1      DPR   9  30.914  16.541  -0.015
   55    HB3  DPR   9           HB2      DPR   9  29.236  15.889   0.422
   56    HG2  DPR   9           HG1      DPR   9  31.315  16.007   2.272
   57    HG3  DPR   9           HG2      DPR   9  29.614  16.451   2.579
   58    HD2  DPR   9           HD1      DPR   9  32.081  18.208   1.570
   59    HD3  DPR   9           HD2      DPR   9  31.196  18.374   3.110
   60    H    DSG  10           H        DAN  10  31.025  19.310  -1.085
   61    HA   DSG  10           HA       DAN  10  29.188  19.301  -3.297
   62    HB2  DSG  10           HB1      DAN  10  31.133  20.200  -4.583
   63    HB3  DSG  10           HB2      DAN  10  31.431  18.749  -3.782
   64   HD21  DSG  10          1HD2      DAN  10  33.415  20.467  -4.911
   65   HD22  DSG  10          2HD2      DAN  10  34.473  20.740  -3.480
   66    H    LYS  11           H        LYS  11  28.771  21.486  -0.812
   67    HA   LYS  11           HA       LYS  11  28.214  23.722  -2.636
   68    HB2  LYS  11           HB2      LYS  11  26.554  21.786  -1.216
   69    HB3  LYS  11           HB1      LYS  11  26.207  23.403  -0.555
   70    HG2  LYS  11           HG2      LYS  11  24.662  22.711  -2.350
   71    HG3  LYS  11           HG1      LYS  11  25.568  24.077  -2.813
   72    HD2  LYS  11           HD2      LYS  11  26.797  21.548  -3.578
   73    HD3  LYS  11           HD1      LYS  11  25.114  21.796  -4.269
   74    HE2  LYS  11           HE2      LYS  11  25.725  23.909  -5.043
   75    HE3  LYS  11           HE1      LYS  11  27.411  23.643  -4.487
   76    HZ1  LYS  11           HZ1      LYS  11  27.301  23.217  -6.827
   77    HZ2  LYS  11           HZ2      LYS  11  26.027  22.172  -6.692
   78    HZ3  LYS  11           HZ3      LYS  11  27.522  21.834  -6.061
   79    H    TYR  12           H        TYR  12  28.104  25.729  -1.620
   80    HA   TYR  12           HA       TYR  12  30.207  26.303  -0.090
   81    HB2  TYR  12           HB2      TYR  12  28.309  27.611  -1.462
   82    HB3  TYR  12           HB1      TYR  12  28.031  28.314   0.176
   83    HD1  TYR  12           HD1      TYR  12  30.614  27.614  -2.468
   84    HD2  TYR  12           HD2      TYR  12  29.511  30.061   0.915
   85    HE1  TYR  12           HE1      TYR  12  32.660  28.981  -2.721
   86    HE2  TYR  12           HE2      TYR  12  31.505  31.515   0.518
   87    HH   TYR  12           HH       TYR  12  33.570  31.564  -0.619
   88    H    DVA  13           H        DVA  13  30.692  26.613   2.148
   89    HA   DVA  13           HA       DVA  13  28.410  27.230   3.872
   90    HB   DVA  13           HB       DVA  13  29.858  27.691   5.695
   91   HG11  DVA  13          1HG1      DVA  13  31.169  25.686   5.647
   92   HG12  DVA  13          2HG1      DVA  13  32.297  26.983   5.689
   93   HG13  DVA  13          3HG1      DVA  13  32.010  26.122   4.165
   94   HG21  DVA  13          1HG2      DVA  13  31.400  28.608   3.235
   95   HG22  DVA  13          2HG2      DVA  13  31.320  29.365   4.742
   96   HG23  DVA  13          3HG2      DVA  13  29.815  29.264   3.804
   97    HA   DPR  14           HA       DPR  14  27.716  23.173   5.268
   98    HB2  DPR  14           HB1      DPR  14  26.831  23.529   7.820
   99    HB3  DPR  14           HB2      DPR  14  25.775  23.523   6.413
  100    HG2  DPR  14           HG1      DPR  14  26.501  25.770   7.986
  101    HG3  DPR  14           HG2      DPR  14  25.474  25.709   6.453
  102    HD2  DPR  14           HD1      DPR  14  28.319  26.368   7.046
  103    HD3  DPR  14           HD2      DPR  14  27.348  27.119   5.683
  Start of MODEL   15
    1    H1   DCY   1           H1       DCY   1  28.489  21.448   6.332
    2    HA   DCY   1           HA       DCY   1  31.004  21.034   7.253
    3    HB2  DCY   1           HB1      DCY   1  28.569  19.382   7.441
    4    HB3  DCY   1           HB2      DCY   1  29.991  18.914   8.362
    5    H    ASN   2           H        ASN   2  32.164  20.889   9.365
    6    HA   ASN   2           HA       ASN   2  30.749  21.212  11.831
    7    HB2  ASN   2           HB2      ASN   2  33.670  21.180  11.105
    8    HB3  ASN   2           HB1      ASN   2  32.968  21.235  12.728
    9   HD21  ASN   2          1HD2      ASN   2  30.986  19.541  12.988
   10   HD22  ASN   2          2HD2      ASN   2  31.323  17.958  12.418
   11    H    DVA   3           H        DVA   3  31.794  23.656   9.533
   12    HA   DVA   3           HA       DVA   3  32.664  25.438  11.605
   13    HB   DVA   3           HB       DVA   3  31.470  27.334  10.875
   14   HG11  DVA   3          1HG1      DVA   3  31.658  27.004   8.517
   15   HG12  DVA   3          2HG1      DVA   3  30.091  27.623   9.041
   16   HG13  DVA   3          3HG1      DVA   3  30.328  25.888   8.510
   17   HG21  DVA   3          1HG2      DVA   3  29.330  26.940  11.496
   18   HG22  DVA   3          2HG2      DVA   3  29.976  25.448  12.136
   19   HG23  DVA   3          3HG2      DVA   3  29.209  25.417  10.548
   20    HA   DPR   4           HA       DPR   4  36.183  26.368   9.536
   21    HB2  DPR   4           HB1      DPR   4  35.576  29.205   8.946
   22    HB3  DPR   4           HB2      DPR   4  37.029  28.473   9.621
   23    HG2  DPR   4           HG1      DPR   4  35.032  29.584  11.243
   24    HG3  DPR   4           HG2      DPR   4  36.078  28.233  11.782
   25    HD2  DPR   4           HD1      DPR   4  33.232  28.291  10.829
   26    HD3  DPR   4           HD2      DPR   4  34.054  27.237  12.021
   27    H    ASP   5           H        ASP   5  37.265  26.444   7.579
   28    HA   ASP   5           HA       ASP   5  37.489  26.026   5.435
   29    HB2  ASP   5           HB2      ASP   5  35.872  24.270   6.737
   30    HB3  ASP   5           HB1      ASP   5  34.771  24.751   5.521
   31    H    VAL   6           H        VAL   6  35.581  25.433   3.424
   32    HA   VAL   6           HA       VAL   6  34.194  27.873   2.910
   33    HB   VAL   6           HB       VAL   6  34.990  27.487   0.351
   34   HG11  VAL   6          1HG1      VAL   6  36.605  28.983   2.351
   35   HG12  VAL   6          2HG1      VAL   6  35.111  29.562   1.559
   36   HG13  VAL   6          3HG1      VAL   6  36.526  29.290   0.556
   37   HG21  VAL   6          1HG2      VAL   6  36.405  25.565   0.996
   38   HG22  VAL   6          2HG2      VAL   6  37.602  26.732   1.732
   39   HG23  VAL   6          3HG2      VAL   6  37.066  26.712   0.024
   40    H    TYR   7           H        TYR   7  34.597  24.417   2.189
   41    HA   TYR   7           HA       TYR   7  31.712  24.379   1.424
   42    HB2  TYR   7           HB2      TYR   7  32.294  23.254  -0.834
   43    HB3  TYR   7           HB1      TYR   7  32.459  25.040  -0.553
   44    HD1  TYR   7           HD1      TYR   7  34.252  26.109  -1.378
   45    HD2  TYR   7           HD2      TYR   7  34.486  21.883  -0.651
   46    HE1  TYR   7           HE1      TYR   7  36.442  26.050  -2.556
   47    HE2  TYR   7           HE2      TYR   7  36.769  21.848  -1.599
   48    HH   TYR   7           HH       TYR   7  38.273  23.132  -2.912
   49    H    CYS   8           H        CYS   8  30.650  22.272   1.138
   50    HA   CYS   8           HA       CYS   8  32.075  19.973   2.034
   51    HB2  CYS   8           HB2      CYS   8  31.775  20.561   4.292
   52    HB3  CYS   8           HB1      CYS   8  30.458  21.587   3.923
   53    HA   DPR   9           HA       DPR   9  28.172  18.339   0.950
   54    HB2  DPR   9           HB1      DPR   9  28.939  16.260  -0.837
   55    HB3  DPR   9           HB2      DPR   9  28.700  16.162   0.947
   56    HG2  DPR   9           HG1      DPR   9  31.193  16.443  -0.698
   57    HG3  DPR   9           HG2      DPR   9  31.073  15.551   0.759
   58    HD2  DPR   9           HD1      DPR   9  32.142  18.125   0.725
   59    HD3  DPR   9           HD2      DPR   9  31.231  17.534   2.135
   60    H    DSG  10           H        DAN  10  30.625  19.375  -1.402
   61    HA   DSG  10           HA       DAN  10  28.909  19.726  -3.597
   62    HB2  DSG  10           HB1      DAN  10  30.936  20.708  -4.550
   63    HB3  DSG  10           HB2      DAN  10  31.419  19.253  -3.792
   64   HD21  DSG  10          1HD2      DAN  10  32.485  22.322  -4.143
   65   HD22  DSG  10          2HD2      DAN  10  33.384  22.421  -2.603
   66    H    LYS  11           H        LYS  11  28.695  21.384  -0.911
   67    HA   LYS  11           HA       LYS  11  27.917  23.854  -2.356
   68    HB2  LYS  11           HB2      LYS  11  26.463  22.450  -0.068
   69    HB3  LYS  11           HB1      LYS  11  26.167  24.044  -0.662
   70    HG2  LYS  11           HG2      LYS  11  25.331  23.167  -2.712
   71    HG3  LYS  11           HG1      LYS  11  25.692  21.495  -2.222
   72    HD2  LYS  11           HD2      LYS  11  24.134  21.513  -0.413
   73    HD3  LYS  11           HD1      LYS  11  23.746  23.223  -0.653
   74    HE2  LYS  11           HE2      LYS  11  22.671  22.686  -2.745
   75    HE3  LYS  11           HE1      LYS  11  23.009  21.056  -2.706
   76    HZ1  LYS  11           HZ1      LYS  11  20.842  21.565  -1.845
   77    HZ2  LYS  11           HZ2      LYS  11  21.459  22.464  -0.626
   78    HZ3  LYS  11           HZ3      LYS  11  21.773  20.856  -0.669
   79    H    TYR  12           H        TYR  12  27.724  25.691  -0.949
   80    HA   TYR  12           HA       TYR  12  30.288  25.941   0.452
   81    HB2  TYR  12           HB2      TYR  12  28.742  27.673  -1.291
   82    HB3  TYR  12           HB1      TYR  12  29.237  28.409   0.140
   83    HD1  TYR  12           HD1      TYR  12  30.330  26.613  -2.843
   84    HD2  TYR  12           HD2      TYR  12  31.583  29.006   0.433
   85    HE1  TYR  12           HE1      TYR  12  32.441  27.012  -4.099
   86    HE2  TYR  12           HE2      TYR  12  33.711  29.642  -0.977
   87    HH   TYR  12           HH       TYR  12  35.004  29.000  -2.747
   88    H    DVA  13           H        DVA  13  30.613  26.651   2.469
   89    HA   DVA  13           HA       DVA  13  28.364  27.170   4.357
   90    HB   DVA  13           HB       DVA  13  30.066  27.524   5.861
   91   HG11  DVA  13          1HG1      DVA  13  32.421  27.791   4.460
   92   HG12  DVA  13          2HG1      DVA  13  32.063  26.068   4.284
   93   HG13  DVA  13          3HG1      DVA  13  32.029  26.782   5.851
   94   HG21  DVA  13          1HG2      DVA  13  29.146  29.341   4.554
   95   HG22  DVA  13          2HG2      DVA  13  30.637  29.119   3.539
   96   HG23  DVA  13          3HG2      DVA  13  30.727  29.628   5.224
   97    HA   DPR  14           HA       DPR  14  27.526  23.065   5.773
   98    HB2  DPR  14           HB1      DPR  14  27.386  23.519   8.345
   99    HB3  DPR  14           HB2      DPR  14  26.141  24.008   7.074
  100    HG2  DPR  14           HG1      DPR  14  28.084  25.720   8.586
  101    HG3  DPR  14           HG2      DPR  14  26.330  26.022   8.229
  102    HD2  DPR  14           HD1      DPR  14  28.130  27.052   6.523
  103    HD3  DPR  14           HD2      DPR  14  26.610  26.304   5.991
  Start of MODEL   16
    1    H1   DCY   1           H1       DCY   1  28.340  21.135   7.201
    2    HA   DCY   1           HA       DCY   1  31.186  21.369   7.439
    3    HB2  DCY   1           HB1      DCY   1  29.168  19.110   7.805
    4    HB3  DCY   1           HB2      DCY   1  30.776  19.108   8.457
    5    H    ASN   2           H        ASN   2  32.266  21.434   9.392
    6    HA   ASN   2           HA       ASN   2  30.647  21.818  11.766
    7    HB2  ASN   2           HB2      ASN   2  33.258  20.443  11.538
    8    HB3  ASN   2           HB1      ASN   2  32.478  20.941  13.115
    9   HD21  ASN   2          1HD2      ASN   2  30.138  20.081  13.463
   10   HD22  ASN   2          2HD2      ASN   2  29.994  18.396  12.954
   11    H    DVA   3           H        DVA   3  31.436  23.895  10.037
   12    HA   DVA   3           HA       DVA   3  32.790  25.752  11.777
   13    HB   DVA   3           HB       DVA   3  31.488  27.485  10.709
   14   HG11  DVA   3          1HG1      DVA   3  29.991  27.137   8.977
   15   HG12  DVA   3          2HG1      DVA   3  29.934  25.392   9.194
   16   HG13  DVA   3          3HG1      DVA   3  31.427  26.210   8.478
   17   HG21  DVA   3          1HG2      DVA   3  30.702  25.849  12.547
   18   HG22  DVA   3          2HG2      DVA   3  29.505  25.267  11.314
   19   HG23  DVA   3          3HG2      DVA   3  29.541  26.981  11.658
   20    HA   DPR   4           HA       DPR   4  36.307  26.411   9.381
   21    HB2  DPR   4           HB1      DPR   4  35.326  29.298   8.893
   22    HB3  DPR   4           HB2      DPR   4  36.977  28.817   9.245
   23    HG2  DPR   4           HG1      DPR   4  35.283  29.804  11.235
   24    HG3  DPR   4           HG2      DPR   4  36.219  28.397  11.689
   25    HD2  DPR   4           HD1      DPR   4  33.410  28.607  10.644
   26    HD3  DPR   4           HD2      DPR   4  34.155  27.676  11.993
   27    H    ASP   5           H        ASP   5  37.194  26.517   7.537
   28    HA   ASP   5           HA       ASP   5  37.389  26.112   5.311
   29    HB2  ASP   5           HB2      ASP   5  36.260  24.067   6.557
   30    HB3  ASP   5           HB1      ASP   5  34.956  24.528   5.384
   31    H    VAL   6           H        VAL   6  35.619  25.492   3.185
   32    HA   VAL   6           HA       VAL   6  33.663  27.620   3.058
   33    HB   VAL   6           HB       VAL   6  35.223  27.231   0.558
   34   HG11  VAL   6          1HG1      VAL   6  33.948  29.405   2.198
   35   HG12  VAL   6          2HG1      VAL   6  33.440  28.634   0.648
   36   HG13  VAL   6          3HG1      VAL   6  34.926  29.715   0.714
   37   HG21  VAL   6          1HG2      VAL   6  37.040  27.441   2.346
   38   HG22  VAL   6          2HG2      VAL   6  36.341  28.987   2.773
   39   HG23  VAL   6          3HG2      VAL   6  37.056  28.724   1.125
   40    H    TYR   7           H        TYR   7  34.498  24.298   2.434
   41    HA   TYR   7           HA       TYR   7  31.866  24.164   1.046
   42    HB2  TYR   7           HB2      TYR   7  34.322  22.550   0.434
   43    HB3  TYR   7           HB1      TYR   7  32.742  22.352  -0.365
   44    HD1  TYR   7           HD1      TYR   7  31.845  23.937  -1.978
   45    HD2  TYR   7           HD2      TYR   7  35.762  24.386  -0.301
   46    HE1  TYR   7           HE1      TYR   7  32.304  25.460  -3.770
   47    HE2  TYR   7           HE2      TYR   7  36.195  26.119  -2.002
   48    HH   TYR   7           HH       TYR   7  35.417  27.330  -3.966
   49    H    CYS   8           H        CYS   8  30.431  22.517   1.275
   50    HA   CYS   8           HA       CYS   8  31.466  20.175   2.567
   51    HB2  CYS   8           HB2      CYS   8  30.579  21.553   4.436
   52    HB3  CYS   8           HB1      CYS   8  29.032  21.633   3.799
   53    HA   DPR   9           HA       DPR   9  28.005  18.274   0.446
   54    HB2  DPR   9           HB1      DPR   9  30.202  16.568  -0.867
   55    HB3  DPR   9           HB2      DPR   9  28.636  16.060  -0.246
   56    HG2  DPR   9           HG1      DPR   9  30.886  15.775   1.127
   57    HG3  DPR   9           HG2      DPR   9  29.312  15.954   1.904
   58    HD2  DPR   9           HD1      DPR   9  31.565  17.857   1.539
   59    HD3  DPR   9           HD2      DPR   9  30.269  17.839   2.835
   60    H    DSG  10           H        DAN  10  30.697  19.372  -1.512
   61    HA   DSG  10           HA       DAN  10  28.937  19.573  -3.766
   62    HB2  DSG  10           HB1      DAN  10  30.840  20.293  -5.097
   63    HB3  DSG  10           HB2      DAN  10  31.234  19.025  -3.964
   64   HD21  DSG  10          1HD2      DAN  10  32.521  21.630  -5.403
   65   HD22  DSG  10          2HD2      DAN  10  33.226  22.495  -4.008
   66    H    LYS  11           H        LYS  11  29.321  21.656  -1.236
   67    HA   LYS  11           HA       LYS  11  28.060  24.070  -2.576
   68    HB2  LYS  11           HB2      LYS  11  26.862  22.236  -0.495
   69    HB3  LYS  11           HB1      LYS  11  26.228  23.864  -0.991
   70    HG2  LYS  11           HG2      LYS  11  26.657  22.199  -3.287
   71    HG3  LYS  11           HG1      LYS  11  25.846  21.212  -1.988
   72    HD2  LYS  11           HD2      LYS  11  24.140  23.093  -1.880
   73    HD3  LYS  11           HD1      LYS  11  24.928  23.845  -3.205
   74    HE2  LYS  11           HE2      LYS  11  24.301  21.815  -4.647
   75    HE3  LYS  11           HE1      LYS  11  23.775  21.031  -3.115
   76    HZ1  LYS  11           HZ1      LYS  11  21.972  22.141  -4.381
   77    HZ2  LYS  11           HZ2      LYS  11  22.662  23.658  -4.040
   78    HZ3  LYS  11           HZ3      LYS  11  22.133  22.774  -2.897
   79    H    TYR  12           H        TYR  12  27.670  25.755  -1.172
   80    HA   TYR  12           HA       TYR  12  30.074  26.244   0.315
   81    HB2  TYR  12           HB2      TYR  12  28.218  27.747  -1.146
   82    HB3  TYR  12           HB1      TYR  12  28.173  28.460   0.435
   83    HD1  TYR  12           HD1      TYR  12  30.332  27.580  -2.443
   84    HD2  TYR  12           HD2      TYR  12  29.789  30.041   1.035
   85    HE1  TYR  12           HE1      TYR  12  32.211  29.058  -3.204
   86    HE2  TYR  12           HE2      TYR  12  31.597  31.497   0.282
   87    HH   TYR  12           HH       TYR  12  33.204  31.875  -1.392
   88    H    DVA  13           H        DVA  13  30.646  26.385   2.359
   89    HA   DVA  13           HA       DVA  13  28.606  26.974   4.354
   90    HB   DVA  13           HB       DVA  13  30.509  27.036   5.963
   91   HG11  DVA  13          1HG1      DVA  13  32.734  26.292   5.350
   92   HG12  DVA  13          2HG1      DVA  13  31.917  25.385   3.964
   93   HG13  DVA  13          3HG1      DVA  13  31.575  25.104   5.681
   94   HG21  DVA  13          1HG2      DVA  13  31.198  28.261   3.270
   95   HG22  DVA  13          2HG2      DVA  13  31.976  28.789   4.827
   96   HG23  DVA  13          3HG2      DVA  13  30.283  28.900   4.613
   97    HA   DPR  14           HA       DPR  14  27.731  22.765   5.379
   98    HB2  DPR  14           HB1      DPR  14  26.947  22.898   7.942
   99    HB3  DPR  14           HB2      DPR  14  25.985  23.782   6.590
  100    HG2  DPR  14           HG1      DPR  14  27.872  25.099   8.458
  101    HG3  DPR  14           HG2      DPR  14  26.215  25.546   7.913
  102    HD2  DPR  14           HD1      DPR  14  28.301  26.614   6.698
  103    HD3  DPR  14           HD2      DPR  14  26.922  26.160   5.736
  Start of MODEL   17
    1    H1   DCY   1           H1       DCY   1  28.963  21.116   6.094
    2    HA   DCY   1           HA       DCY   1  31.234  21.219   7.467
    3    HB2  DCY   1           HB1      DCY   1  28.999  19.310   7.378
    4    HB3  DCY   1           HB2      DCY   1  30.559  18.950   8.332
    5    H    ASN   2           H        ASN   2  32.040  21.282   9.478
    6    HA   ASN   2           HA       ASN   2  30.586  21.335  11.985
    7    HB2  ASN   2           HB2      ASN   2  33.493  21.101  11.605
    8    HB3  ASN   2           HB1      ASN   2  32.451  20.774  13.066
    9   HD21  ASN   2          1HD2      ASN   2  33.555  19.253  10.020
   10   HD22  ASN   2          2HD2      ASN   2  32.964  17.711  10.616
   11    H    DVA   3           H        DVA   3  31.736  23.666   9.736
   12    HA   DVA   3           HA       DVA   3  32.539  25.610  11.793
   13    HB   DVA   3           HB       DVA   3  31.661  27.437  10.238
   14   HG11  DVA   3          1HG1      DVA   3  31.458  26.124   8.271
   15   HG12  DVA   3          2HG1      DVA   3  29.922  26.825   8.610
   16   HG13  DVA   3          3HG1      DVA   3  30.218  25.085   8.957
   17   HG21  DVA   3          1HG2      DVA   3  29.586  25.577  11.458
   18   HG22  DVA   3          2HG2      DVA   3  29.522  27.356  11.145
   19   HG23  DVA   3          3HG2      DVA   3  30.598  26.685  12.419
   20    HA   DPR   4           HA       DPR   4  36.374  25.984   9.549
   21    HB2  DPR   4           HB1      DPR   4  35.618  28.701   8.994
   22    HB3  DPR   4           HB2      DPR   4  37.259  28.139   9.456
   23    HG2  DPR   4           HG1      DPR   4  35.532  29.259  11.300
   24    HG3  DPR   4           HG2      DPR   4  36.487  27.790  11.721
   25    HD2  DPR   4           HD1      DPR   4  33.571  28.169  10.885
   26    HD3  DPR   4           HD2      DPR   4  34.246  27.036  12.130
   27    H    ASP   5           H        ASP   5  37.162  26.150   7.462
   28    HA   ASP   5           HA       ASP   5  37.197  25.893   5.098
   29    HB2  ASP   5           HB2      ASP   5  35.784  23.981   6.412
   30    HB3  ASP   5           HB1      ASP   5  34.672  24.382   5.110
   31    H    VAL   6           H        VAL   6  35.594  25.611   3.218
   32    HA   VAL   6           HA       VAL   6  33.788  27.896   2.984
   33    HB   VAL   6           HB       VAL   6  34.603  28.643   0.729
   34   HG11  VAL   6          1HG1      VAL   6  36.830  28.905   2.702
   35   HG12  VAL   6          2HG1      VAL   6  35.255  29.543   2.989
   36   HG13  VAL   6          3HG1      VAL   6  36.107  29.929   1.436
   37   HG21  VAL   6          1HG2      VAL   6  35.846  26.603   0.058
   38   HG22  VAL   6          2HG2      VAL   6  36.922  26.869   1.441
   39   HG23  VAL   6          3HG2      VAL   6  36.741  28.167   0.087
   40    H    TYR   7           H        TYR   7  34.567  24.649   2.327
   41    HA   TYR   7           HA       TYR   7  31.904  24.387   1.013
   42    HB2  TYR   7           HB2      TYR   7  34.614  23.333   0.279
   43    HB3  TYR   7           HB1      TYR   7  33.282  22.370  -0.044
   44    HD1  TYR   7           HD1      TYR   7  31.419  24.408  -1.298
   45    HD2  TYR   7           HD2      TYR   7  35.587  24.039  -1.600
   46    HE1  TYR   7           HE1      TYR   7  31.363  25.660  -3.551
   47    HE2  TYR   7           HE2      TYR   7  35.616  25.244  -3.697
   48    HH   TYR   7           HH       TYR   7  34.401  26.264  -5.324
   49    H    CYS   8           H        CYS   8  30.691  22.626   1.454
   50    HA   CYS   8           HA       CYS   8  31.890  20.144   2.519
   51    HB2  CYS   8           HB2      CYS   8  30.913  21.356   4.520
   52    HB3  CYS   8           HB1      CYS   8  29.373  21.371   3.619
   53    HA   DPR   9           HA       DPR   9  28.344  18.216   0.873
   54    HB2  DPR   9           HB1      DPR   9  29.536  16.310  -0.780
   55    HB3  DPR   9           HB2      DPR   9  29.465  16.178   0.970
   56    HG2  DPR   9           HG1      DPR   9  31.662  17.339  -0.741
   57    HG3  DPR   9           HG2      DPR   9  31.808  16.100   0.575
   58    HD2  DPR   9           HD1      DPR   9  32.293  18.704   0.941
   59    HD3  DPR   9           HD2      DPR   9  31.370  17.878   2.285
   60    H    DSG  10           H        DAN  10  30.619  19.423  -1.536
   61    HA   DSG  10           HA       DAN  10  28.638  19.616  -3.688
   62    HB2  DSG  10           HB1      DAN  10  30.508  20.202  -4.974
   63    HB3  DSG  10           HB2      DAN  10  30.875  18.815  -3.947
   64   HD21  DSG  10          1HD2      DAN  10  32.156  21.336  -5.280
   65   HD22  DSG  10          2HD2      DAN  10  33.120  22.092  -3.979
   66    H    LYS  11           H        LYS  11  28.751  21.455  -1.107
   67    HA   LYS  11           HA       LYS  11  27.650  23.849  -2.538
   68    HB2  LYS  11           HB2      LYS  11  26.403  22.306  -0.166
   69    HB3  LYS  11           HB1      LYS  11  26.081  23.942  -0.537
   70    HG2  LYS  11           HG2      LYS  11  24.361  22.950  -1.410
   71    HG3  LYS  11           HG1      LYS  11  25.300  23.192  -2.847
   72    HD2  LYS  11           HD2      LYS  11  26.183  20.730  -2.531
   73    HD3  LYS  11           HD1      LYS  11  24.932  20.553  -1.400
   74    HE2  LYS  11           HE2      LYS  11  23.409  21.706  -3.454
   75    HE3  LYS  11           HE1      LYS  11  24.715  21.331  -4.313
   76    HZ1  LYS  11           HZ1      LYS  11  23.027  19.441  -4.211
   77    HZ2  LYS  11           HZ2      LYS  11  23.164  19.369  -2.674
   78    HZ3  LYS  11           HZ3      LYS  11  24.495  19.021  -3.768
   79    H    TYR  12           H        TYR  12  27.759  25.760  -1.413
   80    HA   TYR  12           HA       TYR  12  30.165  26.193   0.034
   81    HB2  TYR  12           HB2      TYR  12  28.367  27.737  -1.440
   82    HB3  TYR  12           HB1      TYR  12  28.288  28.496   0.029
   83    HD1  TYR  12           HD1      TYR  12  30.494  27.455  -2.776
   84    HD2  TYR  12           HD2      TYR  12  30.246  29.810   0.804
   85    HE1  TYR  12           HE1      TYR  12  32.511  28.509  -3.412
   86    HE2  TYR  12           HE2      TYR  12  32.269  30.876   0.245
   87    HH   TYR  12           HH       TYR  12  33.961  31.078  -1.247
   88    H    DVA  13           H        DVA  13  30.657  26.624   2.122
   89    HA   DVA  13           HA       DVA  13  28.575  27.168   4.009
   90    HB   DVA  13           HB       DVA  13  30.153  27.413   5.669
   91   HG11  DVA  13          1HG1      DVA  13  32.162  25.757   4.094
   92   HG12  DVA  13          2HG1      DVA  13  31.468  25.534   5.685
   93   HG13  DVA  13          3HG1      DVA  13  32.615  26.854   5.443
   94   HG21  DVA  13          1HG2      DVA  13  31.586  28.349   3.247
   95   HG22  DVA  13          2HG2      DVA  13  31.710  29.072   4.833
   96   HG23  DVA  13          3HG2      DVA  13  30.148  29.171   4.049
   97    HA   DPR  14           HA       DPR  14  27.544  23.223   5.473
   98    HB2  DPR  14           HB1      DPR  14  27.670  24.161   8.418
   99    HB3  DPR  14           HB2      DPR  14  26.434  23.277   7.466
  100    HG2  DPR  14           HG1      DPR  14  26.351  25.892   7.949
  101    HG3  DPR  14           HG2      DPR  14  25.566  24.981   6.660
  102    HD2  DPR  14           HD1      DPR  14  28.024  26.848   6.644
  103    HD3  DPR  14           HD2      DPR  14  26.903  26.398   5.283
  Start of MODEL   18
    1    H1   DCY   1           H1       DCY   1  28.063  21.057   7.100
    2    HA   DCY   1           HA       DCY   1  30.989  21.212   7.302
    3    HB2  DCY   1           HB1      DCY   1  29.021  19.012   7.607
    4    HB3  DCY   1           HB2      DCY   1  30.665  18.737   8.156
    5    H    ASN   2           H        ASN   2  32.074  21.412   9.036
    6    HA   ASN   2           HA       ASN   2  30.540  22.046  11.491
    7    HB2  ASN   2           HB2      ASN   2  33.167  20.474  11.497
    8    HB3  ASN   2           HB1      ASN   2  32.062  20.849  12.876
    9   HD21  ASN   2          1HD2      ASN   2  30.036  19.539  12.868
   10   HD22  ASN   2          2HD2      ASN   2  29.851  18.098  11.916
   11    H    DVA   3           H        DVA   3  31.080  24.024   9.747
   12    HA   DVA   3           HA       DVA   3  32.543  25.772  11.606
   13    HB   DVA   3           HB       DVA   3  31.979  27.498  10.086
   14   HG11  DVA   3          1HG1      DVA   3  30.254  25.489   8.565
   15   HG12  DVA   3          2HG1      DVA   3  31.823  26.034   8.069
   16   HG13  DVA   3          3HG1      DVA   3  30.529  27.221   8.164
   17   HG21  DVA   3          1HG2      DVA   3  30.472  27.205  11.973
   18   HG22  DVA   3          2HG2      DVA   3  29.561  25.905  11.082
   19   HG23  DVA   3          3HG2      DVA   3  29.571  27.575  10.545
   20    HA   DPR   4           HA       DPR   4  36.434  26.302   9.580
   21    HB2  DPR   4           HB1      DPR   4  35.438  29.242   9.343
   22    HB3  DPR   4           HB2      DPR   4  37.143  28.511   9.677
   23    HG2  DPR   4           HG1      DPR   4  35.574  29.335  11.732
   24    HG3  DPR   4           HG2      DPR   4  36.452  27.815  11.763
   25    HD2  DPR   4           HD1      DPR   4  33.549  28.321  10.986
   26    HD3  DPR   4           HD2      DPR   4  34.225  27.259  12.207
   27    H    ASP   5           H        ASP   5  37.393  26.601   7.497
   28    HA   ASP   5           HA       ASP   5  37.447  26.443   5.284
   29    HB2  ASP   5           HB2      ASP   5  36.104  24.408   6.573
   30    HB3  ASP   5           HB1      ASP   5  34.984  24.785   5.311
   31    H    VAL   6           H        VAL   6  35.532  25.643   3.518
   32    HA   VAL   6           HA       VAL   6  34.006  28.043   2.613
   33    HB   VAL   6           HB       VAL   6  35.152  27.573   0.327
   34   HG11  VAL   6          1HG1      VAL   6  37.237  28.715   0.855
   35   HG12  VAL   6          2HG1      VAL   6  36.833  28.578   2.636
   36   HG13  VAL   6          3HG1      VAL   6  35.779  29.417   1.436
   37   HG21  VAL   6          1HG2      VAL   6  37.268  26.233   2.013
   38   HG22  VAL   6          2HG2      VAL   6  37.361  26.619   0.285
   39   HG23  VAL   6          3HG2      VAL   6  36.229  25.353   0.975
   40    H    TYR   7           H        TYR   7  34.589  24.526   2.425
   41    HA   TYR   7           HA       TYR   7  32.107  24.341   0.870
   42    HB2  TYR   7           HB2      TYR   7  34.839  23.129   0.717
   43    HB3  TYR   7           HB1      TYR   7  33.542  22.459  -0.244
   44    HD1  TYR   7           HD1      TYR   7  31.930  24.354  -1.101
   45    HD2  TYR   7           HD2      TYR   7  36.228  24.228  -1.150
   46    HE1  TYR   7           HE1      TYR   7  31.876  25.902  -3.102
   47    HE2  TYR   7           HE2      TYR   7  36.177  25.902  -3.105
   48    HH   TYR   7           HH       TYR   7  34.949  26.918  -4.664
   49    H    CYS   8           H        CYS   8  30.710  22.590   1.314
   50    HA   CYS   8           HA       CYS   8  31.703  20.216   2.652
   51    HB2  CYS   8           HB2      CYS   8  30.607  21.544   4.379
   52    HB3  CYS   8           HB1      CYS   8  29.259  21.699   3.269
   53    HA   DPR   9           HA       DPR   9  28.089  18.067   0.852
   54    HB2  DPR   9           HB1      DPR   9  30.151  16.700  -0.708
   55    HB3  DPR   9           HB2      DPR   9  28.800  15.996   0.163
   56    HG2  DPR   9           HG1      DPR   9  31.355  15.979   1.099
   57    HG3  DPR   9           HG2      DPR   9  29.941  16.114   2.233
   58    HD2  DPR   9           HD1      DPR   9  31.890  18.119   1.148
   59    HD3  DPR   9           HD2      DPR   9  30.935  18.226   2.722
   60    H    DSG  10           H        DAN  10  30.505  19.565  -1.128
   61    HA   DSG  10           HA       DAN  10  28.841  19.506  -3.569
   62    HB2  DSG  10           HB1      DAN  10  30.931  20.488  -4.579
   63    HB3  DSG  10           HB2      DAN  10  31.460  19.083  -3.605
   64   HD21  DSG  10          1HD2      DAN  10  32.394  21.975  -4.373
   65   HD22  DSG  10          2HD2      DAN  10  33.188  22.472  -2.849
   66    H    LYS  11           H        LYS  11  28.919  21.555  -1.128
   67    HA   LYS  11           HA       LYS  11  28.156  24.054  -2.585
   68    HB2  LYS  11           HB2      LYS  11  26.560  22.500  -0.675
   69    HB3  LYS  11           HB1      LYS  11  26.344  24.179  -0.946
   70    HG2  LYS  11           HG2      LYS  11  25.867  23.864  -3.393
   71    HG3  LYS  11           HG1      LYS  11  25.916  22.206  -3.222
   72    HD2  LYS  11           HD2      LYS  11  24.139  22.488  -1.292
   73    HD3  LYS  11           HD1      LYS  11  23.984  24.160  -2.015
   74    HE2  LYS  11           HE2      LYS  11  23.388  23.088  -4.089
   75    HE3  LYS  11           HE1      LYS  11  23.678  21.427  -3.445
   76    HZ1  LYS  11           HZ1      LYS  11  21.927  21.970  -1.893
   77    HZ2  LYS  11           HZ2      LYS  11  21.501  21.725  -3.539
   78    HZ3  LYS  11           HZ3      LYS  11  21.545  23.207  -2.836
   79    H    TYR  12           H        TYR  12  27.740  25.864  -1.178
   80    HA   TYR  12           HA       TYR  12  30.072  26.295   0.447
   81    HB2  TYR  12           HB2      TYR  12  28.027  28.090  -0.722
   82    HB3  TYR  12           HB1      TYR  12  28.648  28.510   0.783
   83    HD1  TYR  12           HD1      TYR  12  29.633  27.833  -2.616
   84    HD2  TYR  12           HD2      TYR  12  30.951  29.414   1.162
   85    HE1  TYR  12           HE1      TYR  12  31.737  28.886  -3.666
   86    HE2  TYR  12           HE2      TYR  12  33.048  30.241   0.133
   87    HH   TYR  12           HH       TYR  12  34.094  30.646  -1.860
   88    H    DVA  13           H        DVA  13  30.485  26.544   2.352
   89    HA   DVA  13           HA       DVA  13  28.620  27.111   4.341
   90    HB   DVA  13           HB       DVA  13  30.336  26.681   5.940
   91   HG11  DVA  13          1HG1      DVA  13  31.235  24.681   5.530
   92   HG12  DVA  13          2HG1      DVA  13  32.651  25.780   5.137
   93   HG13  DVA  13          3HG1      DVA  13  31.659  24.957   3.921
   94   HG21  DVA  13          1HG2      DVA  13  31.490  27.909   3.426
   95   HG22  DVA  13          2HG2      DVA  13  31.849  28.352   5.094
   96   HG23  DVA  13          3HG2      DVA  13  30.289  28.765   4.425
   97    HA   DPR  14           HA       DPR  14  27.445  22.928   5.625
   98    HB2  DPR  14           HB1      DPR  14  27.030  23.189   8.363
   99    HB3  DPR  14           HB2      DPR  14  25.872  23.716   7.099
  100    HG2  DPR  14           HG1      DPR  14  27.772  25.326   8.820
  101    HG3  DPR  14           HG2      DPR  14  26.327  25.832   8.190
  102    HD2  DPR  14           HD1      DPR  14  28.615  26.593   6.827
  103    HD3  DPR  14           HD2      DPR  14  26.950  26.529   6.227
  Start of MODEL   19
    1    H1   DCY   1           H1       DCY   1  28.486  21.026   6.732
    2    HA   DCY   1           HA       DCY   1  31.231  21.391   7.504
    3    HB2  DCY   1           HB1      DCY   1  29.327  19.027   7.696
    4    HB3  DCY   1           HB2      DCY   1  30.927  18.896   8.406
    5    H    ASN   2           H        ASN   2  32.144  21.123   9.572
    6    HA   ASN   2           HA       ASN   2  30.278  21.676  11.783
    7    HB2  ASN   2           HB2      ASN   2  33.197  20.811  12.109
    8    HB3  ASN   2           HB1      ASN   2  31.910  20.993  13.267
    9   HD21  ASN   2          1HD2      ASN   2  29.718  19.584  12.603
   10   HD22  ASN   2          2HD2      ASN   2  30.204  17.962  12.373
   11    H    DVA   3           H        DVA   3  31.976  23.613   9.933
   12    HA   DVA   3           HA       DVA   3  32.740  25.684  11.871
   13    HB   DVA   3           HB       DVA   3  31.928  27.424  10.262
   14   HG11  DVA   3          1HG1      DVA   3  30.218  25.114   9.263
   15   HG12  DVA   3          2HG1      DVA   3  31.181  26.216   8.343
   16   HG13  DVA   3          3HG1      DVA   3  29.691  26.755   9.074
   17   HG21  DVA   3          1HG2      DVA   3  29.841  25.976  11.827
   18   HG22  DVA   3          2HG2      DVA   3  29.926  27.775  11.463
   19   HG23  DVA   3          3HG2      DVA   3  31.035  27.050  12.567
   20    HA   DPR   4           HA       DPR   4  36.408  26.006   9.517
   21    HB2  DPR   4           HB1      DPR   4  35.803  28.973   9.260
   22    HB3  DPR   4           HB2      DPR   4  37.348  28.034   9.512
   23    HG2  DPR   4           HG1      DPR   4  35.989  29.083  11.670
   24    HG3  DPR   4           HG2      DPR   4  36.763  27.529  11.714
   25    HD2  DPR   4           HD1      DPR   4  33.870  28.296  10.898
   26    HD3  DPR   4           HD2      DPR   4  34.376  27.035  12.152
   27    H    ASP   5           H        ASP   5  37.324  26.098   7.453
   28    HA   ASP   5           HA       ASP   5  37.424  25.859   5.271
   29    HB2  ASP   5           HB2      ASP   5  36.107  23.964   6.603
   30    HB3  ASP   5           HB1      ASP   5  34.775  24.564   5.646
   31    H    VAL   6           H        VAL   6  35.470  25.501   3.372
   32    HA   VAL   6           HA       VAL   6  33.980  27.976   3.097
   33    HB   VAL   6           HB       VAL   6  34.846  27.937   0.579
   34   HG11  VAL   6          1HG1      VAL   6  36.156  29.969   1.137
   35   HG12  VAL   6          2HG1      VAL   6  36.263  29.385   2.899
   36   HG13  VAL   6          3HG1      VAL   6  34.805  29.814   2.043
   37   HG21  VAL   6          1HG2      VAL   6  36.425  26.308   0.689
   38   HG22  VAL   6          2HG2      VAL   6  37.322  26.957   2.040
   39   HG23  VAL   6          3HG2      VAL   6  37.282  27.889   0.444
   40    H    TYR   7           H        TYR   7  34.511  24.615   2.229
   41    HA   TYR   7           HA       TYR   7  31.773  24.607   1.457
   42    HB2  TYR   7           HB2      TYR   7  32.542  23.026  -0.644
   43    HB3  TYR   7           HB1      TYR   7  32.132  24.689  -0.619
   44    HD1  TYR   7           HD1      TYR   7  33.543  26.184  -1.466
   45    HD2  TYR   7           HD2      TYR   7  35.161  22.330  -0.375
   46    HE1  TYR   7           HE1      TYR   7  35.709  26.735  -2.706
   47    HE2  TYR   7           HE2      TYR   7  37.381  23.104  -1.418
   48    HH   TYR   7           HH       TYR   7  38.451  24.557  -2.513
   49    H    CYS   8           H        CYS   8  30.680  22.686   1.470
   50    HA   CYS   8           HA       CYS   8  31.965  20.299   2.682
   51    HB2  CYS   8           HB2      CYS   8  31.154  21.316   4.625
   52    HB3  CYS   8           HB1      CYS   8  29.745  21.795   3.948
   53    HA   DPR   9           HA       DPR   9  28.449  18.014   1.099
   54    HB2  DPR   9           HB1      DPR   9  30.401  16.979  -0.950
   55    HB3  DPR   9           HB2      DPR   9  29.282  16.004  -0.019
   56    HG2  DPR   9           HG1      DPR   9  31.777  16.038   0.907
   57    HG3  DPR   9           HG2      DPR   9  30.524  16.452   2.081
   58    HD2  DPR   9           HD1      DPR   9  32.384  18.443   0.916
   59    HD3  DPR   9           HD2      DPR   9  31.602  18.203   2.423
   60    H    DSG  10           H        DAN  10  30.371  19.392  -1.358
   61    HA   DSG  10           HA       DAN  10  28.393  19.251  -3.397
   62    HB2  DSG  10           HB1      DAN  10  29.986  20.089  -4.773
   63    HB3  DSG  10           HB2      DAN  10  30.789  18.979  -3.630
   64   HD21  DSG  10          1HD2      DAN  10  30.756  22.145  -5.243
   65   HD22  DSG  10          2HD2      DAN  10  31.935  22.876  -4.121
   66    H    LYS  11           H        LYS  11  29.013  21.720  -1.000
   67    HA   LYS  11           HA       LYS  11  27.866  23.982  -2.465
   68    HB2  LYS  11           HB2      LYS  11  26.394  22.750  -0.211
   69    HB3  LYS  11           HB1      LYS  11  26.173  24.427  -0.771
   70    HG2  LYS  11           HG2      LYS  11  25.658  23.143  -3.038
   71    HG3  LYS  11           HG1      LYS  11  25.536  21.688  -2.038
   72    HD2  LYS  11           HD2      LYS  11  23.957  22.746  -0.432
   73    HD3  LYS  11           HD1      LYS  11  23.973  24.205  -1.482
   74    HE2  LYS  11           HE2      LYS  11  23.196  22.788  -3.418
   75    HE3  LYS  11           HE1      LYS  11  23.019  21.462  -2.341
   76    HZ1  LYS  11           HZ1      LYS  11  20.992  22.911  -2.727
   77    HZ2  LYS  11           HZ2      LYS  11  21.545  23.912  -1.660
   78    HZ3  LYS  11           HZ3      LYS  11  21.188  22.344  -1.278
   79    H    TYR  12           H        TYR  12  28.299  26.034  -1.616
   80    HA   TYR  12           HA       TYR  12  30.471  26.119   0.274
   81    HB2  TYR  12           HB2      TYR  12  28.838  28.260  -1.205
   82    HB3  TYR  12           HB1      TYR  12  29.534  28.629   0.345
   83    HD1  TYR  12           HD1      TYR  12  30.424  26.794  -2.755
   84    HD2  TYR  12           HD2      TYR  12  31.570  29.822  -0.003
   85    HE1  TYR  12           HE1      TYR  12  32.484  27.249  -4.152
   86    HE2  TYR  12           HE2      TYR  12  33.795  30.048  -1.103
   87    HH   TYR  12           HH       TYR  12  34.824  29.701  -3.076
   88    H    DVA  13           H        DVA  13  30.597  26.609   2.224
   89    HA   DVA  13           HA       DVA  13  28.154  26.833   3.731
   90    HB   DVA  13           HB       DVA  13  29.658  27.501   5.620
   91   HG11  DVA  13          1HG1      DVA  13  31.232  25.578   5.516
   92   HG12  DVA  13          2HG1      DVA  13  32.017  27.167   5.624
   93   HG13  DVA  13          3HG1      DVA  13  32.040  26.297   4.159
   94   HG21  DVA  13          1HG2      DVA  13  29.609  29.163   3.838
   95   HG22  DVA  13          2HG2      DVA  13  31.105  28.390   3.172
   96   HG23  DVA  13          3HG2      DVA  13  31.134  29.097   4.789
   97    HA   DPR  14           HA       DPR  14  27.948  22.526   4.970
   98    HB2  DPR  14           HB1      DPR  14  26.792  22.656   7.464
   99    HB3  DPR  14           HB2      DPR  14  26.013  23.107   5.910
  100    HG2  DPR  14           HG1      DPR  14  27.503  24.927   7.897
  101    HG3  DPR  14           HG2      DPR  14  25.809  25.121   7.246
  102    HD2  DPR  14           HD1      DPR  14  27.868  26.468   6.221
  103    HD3  DPR  14           HD2      DPR  14  26.495  25.880   5.235
  Start of MODEL   20
    1    H1   DCY   1           H1       DCY   1  28.357  21.410   6.785
    2    HA   DCY   1           HA       DCY   1  31.195  21.246   7.003
    3    HB2  DCY   1           HB1      DCY   1  28.837  19.485   7.772
    4    HB3  DCY   1           HB2      DCY   1  30.417  19.031   8.341
    5    H    ASN   2           H        ASN   2  32.489  21.022   8.863
    6    HA   ASN   2           HA       ASN   2  31.293  20.880  11.470
    7    HB2  ASN   2           HB2      ASN   2  34.109  20.624  10.598
    8    HB3  ASN   2           HB1      ASN   2  33.569  20.441  12.304
    9   HD21  ASN   2          1HD2      ASN   2  31.379  18.675  12.059
   10   HD22  ASN   2          2HD2      ASN   2  31.889  17.246  11.104
   11    H    DVA   3           H        DVA   3  31.892  23.533   9.737
   12    HA   DVA   3           HA       DVA   3  32.497  25.362  11.939
   13    HB   DVA   3           HB       DVA   3  31.217  27.056  10.511
   14   HG11  DVA   3          1HG1      DVA   3  30.053  24.485   9.319
   15   HG12  DVA   3          2HG1      DVA   3  31.208  25.623   8.395
   16   HG13  DVA   3          3HG1      DVA   3  29.684  26.126   8.964
   17   HG21  DVA   3          1HG2      DVA   3  29.970  24.612  11.775
   18   HG22  DVA   3          2HG2      DVA   3  29.159  26.237  11.446
   19   HG23  DVA   3          3HG2      DVA   3  30.491  26.115  12.585
   20    HA   DPR   4           HA       DPR   4  36.087  27.144   9.805
   21    HB2  DPR   4           HB1      DPR   4  34.319  29.519   9.241
   22    HB3  DPR   4           HB2      DPR   4  36.080  29.501   9.621
   23    HG2  DPR   4           HG1      DPR   4  34.349  29.899  11.674
   24    HG3  DPR   4           HG2      DPR   4  35.716  28.797  11.906
   25    HD2  DPR   4           HD1      DPR   4  32.894  28.313  11.267
   26    HD3  DPR   4           HD2      DPR   4  33.984  27.206  12.268
   27    H    ASP   5           H        ASP   5  36.877  27.028   7.919
   28    HA   ASP   5           HA       ASP   5  37.133  26.471   5.856
   29    HB2  ASP   5           HB2      ASP   5  36.055  24.629   7.219
   30    HB3  ASP   5           HB1      ASP   5  34.684  24.724   6.155
   31    H    VAL   6           H        VAL   6  35.415  25.544   3.796
   32    HA   VAL   6           HA       VAL   6  33.565  27.719   2.995
   33    HB   VAL   6           HB       VAL   6  34.499  27.639   0.714
   34   HG11  VAL   6          1HG1      VAL   6  36.050  29.350   0.935
   35   HG12  VAL   6          2HG1      VAL   6  36.354  28.904   2.710
   36   HG13  VAL   6          3HG1      VAL   6  34.826  29.574   2.101
   37   HG21  VAL   6          1HG2      VAL   6  36.326  25.604   1.190
   38   HG22  VAL   6          2HG2      VAL   6  37.210  26.889   1.964
   39   HG23  VAL   6          3HG2      VAL   6  36.792  26.968   0.279
   40    H    TYR   7           H        TYR   7  34.398  24.473   2.581
   41    HA   TYR   7           HA       TYR   7  32.027  24.001   0.915
   42    HB2  TYR   7           HB2      TYR   7  34.661  22.654   0.409
   43    HB3  TYR   7           HB1      TYR   7  33.097  22.211  -0.290
   44    HD1  TYR   7           HD1      TYR   7  31.818  23.916  -1.588
   45    HD2  TYR   7           HD2      TYR   7  35.929  24.442  -0.545
   46    HE1  TYR   7           HE1      TYR   7  31.954  25.593  -3.346
   47    HE2  TYR   7           HE2      TYR   7  36.218  26.074  -2.341
   48    HH   TYR   7           HH       TYR   7  35.005  27.311  -3.952
   49    H    CYS   8           H        CYS   8  30.691  22.378   1.165
   50    HA   CYS   8           HA       CYS   8  31.554  19.933   2.516
   51    HB2  CYS   8           HB2      CYS   8  31.144  20.857   4.530
   52    HB3  CYS   8           HB1      CYS   8  29.795  21.871   4.009
   53    HA   DPR   9           HA       DPR   9  27.501  18.763   0.831
   54    HB2  DPR   9           HB1      DPR   9  29.089  16.519  -0.410
   55    HB3  DPR   9           HB2      DPR   9  27.595  16.357   0.510
   56    HG2  DPR   9           HG1      DPR   9  29.888  15.648   1.658
   57    HG3  DPR   9           HG2      DPR   9  28.700  16.592   2.579
   58    HD2  DPR   9           HD1      DPR   9  31.149  17.724   1.096
   59    HD3  DPR   9           HD2      DPR   9  30.647  18.069   2.746
   60    H    DSG  10           H        DAN  10  30.424  19.158  -1.052
   61    HA   DSG  10           HA       DAN  10  28.971  19.447  -3.463
   62    HB2  DSG  10           HB1      DAN  10  31.136  19.567  -4.555
   63    HB3  DSG  10           HB2      DAN  10  31.132  18.320  -3.391
   64   HD21  DSG  10          1HD2      DAN  10  33.596  19.827  -4.342
   65   HD22  DSG  10          2HD2      DAN  10  34.270  20.358  -2.798
   66    H    LYS  11           H        LYS  11  28.875  21.528  -0.980
   67    HA   LYS  11           HA       LYS  11  28.607  23.858  -2.748
   68    HB2  LYS  11           HB2      LYS  11  26.679  22.465  -0.854
   69    HB3  LYS  11           HB1      LYS  11  26.338  24.052  -1.351
   70    HG2  LYS  11           HG2      LYS  11  26.363  23.240  -3.699
   71    HG3  LYS  11           HG1      LYS  11  26.834  21.600  -3.118
   72    HD2  LYS  11           HD2      LYS  11  24.764  21.360  -1.894
   73    HD3  LYS  11           HD1      LYS  11  24.271  23.046  -2.331
   74    HE2  LYS  11           HE2      LYS  11  23.265  22.271  -4.256
   75    HE3  LYS  11           HE1      LYS  11  24.883  21.621  -4.628
   76    HZ1  LYS  11           HZ1      LYS  11  23.628  19.717  -4.688
   77    HZ2  LYS  11           HZ2      LYS  11  22.747  20.335  -3.405
   78    HZ3  LYS  11           HZ3      LYS  11  24.333  19.730  -3.238
   79    H    TYR  12           H        TYR  12  28.006  25.854  -1.525
   80    HA   TYR  12           HA       TYR  12  30.243  26.324   0.116
   81    HB2  TYR  12           HB2      TYR  12  29.088  27.817  -1.763
   82    HB3  TYR  12           HB1      TYR  12  28.471  28.592  -0.180
   83    HD1  TYR  12           HD1      TYR  12  31.602  27.365  -1.717
   84    HD2  TYR  12           HD2      TYR  12  29.740  30.185   0.978
   85    HE1  TYR  12           HE1      TYR  12  33.756  28.712  -1.503
   86    HE2  TYR  12           HE2      TYR  12  31.844  31.359   1.185
   87    HH   TYR  12           HH       TYR  12  34.009  31.742   0.318
   88    H    DVA  13           H        DVA  13  30.476  26.606   2.146
   89    HA   DVA  13           HA       DVA  13  28.321  27.242   3.886
   90    HB   DVA  13           HB       DVA  13  29.711  27.352   5.771
   91   HG11  DVA  13          1HG1      DVA  13  31.380  25.879   5.835
   92   HG12  DVA  13          2HG1      DVA  13  32.359  27.182   5.305
   93   HG13  DVA  13          3HG1      DVA  13  31.821  25.975   4.108
   94   HG21  DVA  13          1HG2      DVA  13  29.644  29.248   4.034
   95   HG22  DVA  13          2HG2      DVA  13  31.221  28.813   3.498
   96   HG23  DVA  13          3HG2      DVA  13  31.078  29.203   5.125
   97    HA   DPR  14           HA       DPR  14  27.497  23.195   5.784
   98    HB2  DPR  14           HB1      DPR  14  28.074  24.460   8.522
   99    HB3  DPR  14           HB2      DPR  14  26.853  23.339   7.945
  100    HG2  DPR  14           HG1      DPR  14  26.218  25.859   8.017
  101    HG3  DPR  14           HG2      DPR  14  25.611  24.790   6.686
  102    HD2  DPR  14           HD1      DPR  14  27.801  26.940   6.632
  103    HD3  DPR  14           HD2      DPR  14  26.679  26.326   5.397