*HEADER    DE NOVO PROTEIN                         25-OCT-17   6BER              
*TITLE     SOLUTION STRUCTURE OF DE NOVO MACROCYCLE DESIGN10.2                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: E(DVA)DP(DGL)(DHI)(DPR)N(DAL)(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 6BER    0                                                
# Restraints file 1: marie_noe_.tbl

!-------------------------------------------------------------------------!
!NOE Table for Marie peptide !
!Updated 060817 mds
!Marie, 10mer GLU val ASP PRO glu his pro ASN ala 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                = 186
!long range          (j-i >6)  = 7
!short range    (2 > j-i < 5)  = 34
!sequential          (i to j)  = 86
!intraresidue        (i to i)  = 59

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

!! BACKBONE !!

!! 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  1 and name HA   ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HA   ) ( resid  2 and name HN   ) 3.5 1.2 1.2
 assign ( resid  2 and name HA   ) ( resid  3 and name HN   ) 3.5 1.2 1.2
 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  4 and name HA   ) ( resid  6 and name HN   ) 4.5 1.6 1.6
! assign ( resid  5 and name HA   ) ( resid  3 and name HN   ) 4.5 1.6 1.6 !real peak in nmr, most concerened about.. (misassigned?)  violated in design too far
 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  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  9 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  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HA   ) ( resid  9 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  9 and name HN   ) 3.5 1.2 1.2
! assign ( resid  9 and name HA   ) ( resid  1 and name HN   ) 4.5 1.6 1.6  ! not violated in desig but not real in NMR very weak
 assign ( resid  9 and name HA   ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HA   ) ( resid  1 and name HN   ) 2.5 0.4 0.4 !maybe shoul d be strong peak, the intensity is 1E^9
! assign ( resid 10 and name HA   ) ( resid  2 and name HN   ) 4.5 1.6 1.6




!! HN-HN !!
 assign ( resid  2 and name HN   ) ( resid  3 and name HN   ) 3.5 1.2 1.2
 assign ( resid  2 and name HN   ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HN   ) ( resid  5 and name HN   ) 3.5 1.2 1.2
 assign ( resid  6 and name HN   ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HN   ) ( resid  8 and name HN   ) 3.5 1.2 1.2



!! HA-HA !!
 assign ( resid  2 and name HA   ) ( resid  1 and name HA   ) 4.5 1.6 1.6



 assign ( resid  1 and name HB1  ) ( resid  1 and name HN   ) 3.5 1.2 1.2
 assign ( resid  1 and name HG#  ) ( resid  1 and name HA   ) 3.5 1.2 1.2
 assign ( resid  1 and name HB2  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  1 and name HB2  ) ( resid  2 and name HA   ) 4.5 1.6 1.6
 assign ( resid  1 and name HB2  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
! assign ( resid  1 and name HB2  ) ( resid 10 and name HA   ) 4.5 1.6 1.6   !too broad and weak, maybe dynamic?
 assign ( resid  1 and name HB1  ) ( resid  1 and name HA   ) 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  1 and name HG#  ) ( resid  1 and name HN   ) 3.5 1.2 1.2 ! peak is real and maybe should be set to medium too close in design
! assign ( resid  1 and name HG#  ) ( resid  2 and name HA   ) 4.5 1.6 1.6 ! broad and weak at 500ms maybe dynamic? or diffusion!
 assign ( resid  1 and name HG#  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
! assign ( resid  1 and name HG#  ) ( resid  3 and name HN   ) 4.5 1.6 1.6 ! broad and weak at 500ms maybe dynamic? or diffusion?
! assign ( resid  1 and name HG#  ) ( resid 10 and name HA   ) 4.5 1.6 1.6  !too broad and weak, maybe dynamic?


 assign ( resid  2 and name HB   ) ( resid  2 and name HN   ) 3.5 1.2 1.2
 assign ( resid  2 and name HB   ) ( resid  3 and name HN   ) 3.5 1.2 1.2
 assign ( resid  2 and name HG*  ) ( resid  2 and name HA   ) 3.5 1.2 1.2
 assign ( resid  2 and name HG*  ) ( resid  2 and name HB   ) 3.5 1.2 1.2
 assign ( resid  2 and name HG*  ) ( resid  2 and name HN   ) 3.5 1.2 1.2
 assign ( resid  2 and name HG*  ) ( resid  3 and name HN   ) 3.5 1.2 1.2
 assign ( resid  2 and name HB   ) ( resid  6 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  2 and name HB   ) ( resid  6 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  2 and name HB   ) ( resid  9 and name HB#  ) 3.5 1.2 1.2 !missed at first, overlapped with a9/p10 weak peak, too close in design
 assign ( resid  2 and name HG*  ) ( resid  1 and name HA   ) 4.5 1.6 1.6
 assign ( resid  2 and name HG*  ) ( resid  1 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  2 and name HG*  ) ( resid  1 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  2 and name HG*  ) ( resid  1 and name HG#  ) 4.5 1.6 1.6
! assign ( resid  2 and name HG* ) ( resid  1 and name HN   ) 4.5 1.6 1.6   ! not violated in design but weak peak, maybe spin diffusion
 assign ( resid  2 and name HG*  ) ( resid  3 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  2 and name HG*  ) ( resid  3 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  2 and name HG*  ) ( resid  4 and name HA   ) 4.5 1.6 1.6
 assign ( resid  2 and name HG*  ) ( resid  4 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  2 and name HG*  ) ( resid  4 and name HD1  ) 4.5 1.6 1.6
 assign ( resid  2 and name HG*  ) ( resid  6 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  2 and name HG*  ) ( resid  6 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  2 and name HG*  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HG*  ) ( resid  9 and name HB#  ) 3.5 1.2 1.2  ! weak real peak under T1 ridge, violated in desgin too close
 assign ( resid  2 and name HG*  ) ( resid  9 and name HN   ) 4.5 1.6 1.6




 assign ( resid  3 and name HB1  ) ( resid  3 and name HN   ) 3.5 1.2 1.2
! assign ( resid  3 and name HB2  ) ( resid  2 and name HA   ) 4.5 1.6 1.6  !very weak peak @500ms violated in design too far
 assign ( resid  3 and name HB2  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HB2  ) ( resid  4 and name HA   ) 4.5 1.6 1.6
 assign ( resid  3 and name HB2  ) ( resid  4 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  3 and name HB2  ) ( resid  4 and name HD1  ) 4.5 1.6 1.6
 assign ( resid  3 and name HB2  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HB2  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HB2  ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HB1  ) ( resid  2 and name HA   ) 4.5 1.6 1.6
 assign ( resid  3 and name HB1  ) ( resid  4 and name HA   ) 4.5 1.6 1.6
 assign ( resid  3 and name HB1  ) ( resid  4 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  3 and name HB1  ) ( resid  4 and name HD1  ) 4.5 1.6 1.6
 assign ( resid  3 and name HB1  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HB1  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HB1  ) ( resid  9 and name HN   ) 4.5 1.6 1.6
! assign ( resid  3 and name HB1  ) ( resid 10 and name HA   ) 4.5 1.6 1.6 ! not even close to being a real peak...



 assign ( resid  4 and name HD2  ) ( resid  4 and name HG#  ) 3.5 1.2 1.2
 assign ( resid  4 and name HA   ) ( resid  3 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  4 and name HA   ) ( resid  3 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  4 and name HA   ) ( resid  6 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  4 and name HB2  ) ( resid  5 and name HA   ) 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 HB2  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
! assign ( resid  4 and name HB2  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
! assign ( resid  4 and name HB2  ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HB1  ) ( resid  4 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  4 and name HB1  ) ( resid  4 and name HD1  ) 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 HB1  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
! assign ( resid  4 and name HD2  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HD2  ) ( resid  3 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  4 and name HD2  ) ( resid  3 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  4 and name HD2  ) ( resid  3 and name HN   ) 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  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HD2  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
! assign ( resid  4 and name HD1  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HD1  ) ( resid  3 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  4 and name HD1  ) ( resid  3 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  4 and name HD1  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HD1  ) ( resid  4 and name HA   ) 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  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HD1  ) ( resid  6 and name HN   ) 4.5 1.6 1.6


 assign ( resid  5 and name HB2  ) ( resid  5 and name HN   ) 3.5 1.2 1.2
 assign ( resid  5 and name HB1  ) ( resid  5 and name HN   ) 3.5 1.2 1.2
 assign ( resid  5 and name HA   ) ( resid  6 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  5 and name HB2  ) ( resid  4 and name HA   ) 4.5 1.6 1.6
 assign ( resid  5 and name HB2  ) ( resid  5 and name HA   ) 4.5 1.6 1.6
 assign ( resid  5 and name HB2  ) ( resid  6 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  5 and name HB2  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HB1  ) ( resid  6 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  5 and name HB1  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
! assign ( resid  5 and name HG#  ) ( resid  1 and name HA   ) 4.5 1.6 1.6
 assign ( resid  5 and name HG#  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HG#  ) ( resid  6 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  5 and name HG#  ) ( resid  6 and name HN   ) 4.5 1.6 1.6


 assign ( resid  6 and name HB1  ) ( resid  6 and name HD2  ) 3.5 1.2 1.2
 assign ( resid  6 and name HA   ) ( resid  6 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  6 and name HB2  ) ( resid  6 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  6 and name HB2  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HB2  ) ( resid  7 and name HA   ) 4.5 1.6 1.6
 assign ( resid  6 and name HB2  ) ( resid  7 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  6 and name HB2  ) ( resid  7 and name HD1  ) 4.5 1.6 1.6
 assign ( resid  6 and name HB2  ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HB1  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HB1  ) ( resid  6 and name HN   ) 3.5 1.2 1.2
 assign ( resid  6 and name HB1  ) ( resid  7 and name HA   ) 4.5 1.6 1.6
 assign ( resid  6 and name HB1  ) ( resid  7 and name HD1  ) 4.5 1.6 1.6
 assign ( resid  6 and name HB1  ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HD2  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HD2  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
! assign ( resid  6 and name HD2  ) ( resid  9 and name HN   ) 4.5 1.6 1.6 !weak peak @500ms, violated on design to far



 assign ( resid  7 and name HD2  ) ( resid  7 and name HG1  ) 3.5 1.2 1.2
 assign ( resid  7 and name HD1  ) ( resid  7 and name HG2  ) 3.5 1.2 1.2
 assign ( resid  7 and name HB2  ) ( resid  8 and name HD21) 4.5 1.6 1.6
 assign ( resid  7 and name HB2  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HB2  ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HB1  ) ( resid  7 and name HD1  ) 4.5 1.6 1.6
 assign ( resid  7 and name HB1  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HB1  ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD2  ) ( resid  6 and name HA   ) 3.5 1.2 1.2 ! real peak, under water, violated in design too close
 assign ( resid  7 and name HD2  ) ( resid  6 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD2  ) ( resid  6 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD2  ) ( resid  6 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD2  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD2  ) ( resid  7 and name HA   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD2  ) ( resid  7 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD2  ) ( resid  7 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD2  ) ( resid  7 and name HG2  ) 3.5 1.2 1.2
 assign ( resid  7 and name HD1  ) ( resid  5 and name HA   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD1  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD1  ) ( resid  6 and name HA   ) 3.5 1.2 1.2 ! real peak, under water, violated in design too close
 assign ( resid  7 and name HD1  ) ( resid  6 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD1  ) ( resid  6 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD1  ) ( resid  6 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD1  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD1  ) ( resid  7 and name HA   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD1  ) ( resid  7 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD1  ) ( resid  7 and name HB1  ) 4.5 1.6 1.6
! assign ( resid  7 and name HD1  ) ( resid  7 and name HG1  ) 4.5 1.6 1.6
 assign ( resid  7 and name HG1  ) ( resid  8 and name HN   ) 4.5 1.6 1.6



 assign ( resid  8 and name HD22) ( resid  8 and name HD21) 2.5 0.7 0.7
 assign ( resid  8 and name HB2  ) ( resid  8 and name HN   ) 3.5 1.2 1.2
! assign ( resid  8 and name HA   ) ( resid  6 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  8 and name HA   ) ( resid  8 and name HD21) 4.5 1.6 1.6
 assign ( resid  8 and name HB2  ) ( resid  7 and name HA   ) 4.5 1.6 1.6
 assign ( resid  8 and name HB2  ) ( resid  8 and name HA   ) 4.5 1.6 1.6
 assign ( resid  8 and name HB2  ) ( resid  8 and name HD21) 4.5 1.6 1.6
 assign ( resid  8 and name HB2  ) ( resid  8 and name HD22) 4.5 1.6 1.6
 assign ( resid  8 and name HB2  ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HB1  ) ( resid  7 and name HA   ) 4.5 1.6 1.6
 assign ( resid  8 and name HB1  ) ( resid  8 and name HA   ) 4.5 1.6 1.6
 assign ( resid  8 and name HB1  ) ( resid  8 and name HD21) 4.5 1.6 1.6
 assign ( resid  8 and name HB1  ) ( resid  8 and name HD22) 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  8 and name HB1  ) ( resid  9 and name HA   ) 4.5 1.6 1.6
 assign ( resid  8 and name HB1  ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HD21) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HD22) ( resid  8 and name HN   ) 4.5 1.6 1.6



 assign ( resid  9 and name HB#  ) ( resid  9 and name HA   ) 3.5 1.2 1.2
 assign ( resid  9 and name HB#  ) ( resid  9 and name HN   ) 3.5 1.2 1.2
 assign ( resid  9 and name HB#  ) ( resid 10 and name HD1  ) 3.5 1.2 1.2
! assign ( resid  9 and name HB#  ) ( resid  1 and name HN   ) 4.5 1.6 1.6 ! not violated in design but not real in NMR very weak
 assign ( resid  9 and name HB#  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HB#  ) ( resid  3 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  9 and name HB#  ) ( resid  3 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  9 and name HB#  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HB#  ) ( resid  7 and name HA   ) 4.5 1.6 1.6
 assign ( resid  9 and name HB#  ) ( resid  5 and name HN   ) 5.0 2.0 2.0
 assign ( resid  9 and name HB#  ) ( resid  6 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  9 and name HB#  ) ( resid  6 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  9 and name HB#  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HB#  ) ( resid 10 and name HA   ) 4.5 1.6 1.6
 assign ( resid  9 and name HB#  ) ( resid 10 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  9 and name HB#  ) ( resid 10 and name HG#  ) 4.5 1.6 1.6



 assign ( resid 10 and name HD2  ) ( resid 10 and name HG#  ) 3.5 1.2 1.2
 assign ( resid 10 and name HA   ) ( resid 10 and name HG#  ) 4.5 1.6 1.6
 assign ( resid 10 and name HB2  ) ( resid  1 and name HN   ) 4.5 1.6 1.6   ! of all the side chain proline to 1HN this is only real peak besides ha
 assign ( resid 10 and name HB2  ) ( resid 10 and name HD2  ) 4.5 1.6 1.6
 assign ( resid 10 and name HB2  ) ( resid 10 and name HD1  ) 4.5 1.6 1.6
! assign ( resid 10 and name HD2  ) ( resid  1 and name HN   ) 4.5 1.6 1.6  ! did not find real peak, looks like noise?
 assign ( resid 10 and name HD2  ) ( resid  9 and name HA   ) 3.5 1.2 1.2
 assign ( resid 10 and name HD2  ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HD2  ) ( resid 10 and name HA   ) 4.5 1.6 1.6
 assign ( resid 10 and name HD2  ) ( resid 10 and name HB2  ) 4.5 1.6 1.6
 assign ( resid 10 and name HD2  ) ( resid 10 and name HB1  ) 4.5 1.6 1.6
 assign ( resid 10 and name HD1  ) ( resid  9 and name HA   ) 3.5 1.2 1.2
 assign ( resid 10 and name HD1  ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HD1  ) ( resid 10 and name HA   ) 4.5 1.6 1.6
 assign ( resid 10 and name HD1  ) ( resid 10 and name HB2  ) 4.5 1.6 1.6
! assign ( resid 10 and name HG#  ) ( resid  1 and name HN   ) 4.5 1.6 1.6 ! broad and weak, also overlap
 assign ( resid 10 and name HG#  ) ( resid  9 and name HA   ) 4.5 1.6 1.6
 assign ( resid 10 and name HG#  ) ( resid  9 and name HN   ) 4.5 1.6 1.6
~                                                                    

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           H1       GLU   1  24.370  26.870  32.280
    2    HA   GLU   1           HA       GLU   1  23.720  24.320  33.500
    3    HB2  GLU   1           HB2      GLU   1  25.950  25.140  34.160
    4    HB3  GLU   1           HB1      GLU   1  25.090  26.670  34.690
    5    HG2  GLU   1           HG2      GLU   1  24.050  25.070  36.460
    6    HG3  GLU   1           HG1      GLU   1  24.980  23.790  35.690
    7    H    DVA   2           H        DVA   2  22.200  26.720  32.270
    8    HA   DVA   2           HA       DVA   2  20.380  27.140  34.620
    9    HB   DVA   2           HB       DVA   2  19.410  26.790  31.670
   10   HG11  DVA   2          1HG1      DVA   2  18.890  24.480  32.180
   11   HG12  DVA   2          2HG1      DVA   2  19.400  24.670  33.790
   12   HG13  DVA   2          3HG1      DVA   2  20.610  24.750  32.340
   13   HG21  DVA   2          1HG2      DVA   2  17.420  26.280  32.650
   14   HG22  DVA   2          2HG2      DVA   2  17.870  27.930  33.070
   15   HG23  DVA   2          3HG2      DVA   2  18.030  26.620  34.320
   16    H    ASP   3           H        ASP   3  21.090  28.370  31.350
   17    HA   ASP   3           HA       ASP   3  21.490  31.010  31.920
   18    HB2  ASP   3           HB2      ASP   3  20.400  29.910  29.410
   19    HB3  ASP   3           HB1      ASP   3  21.100  31.510  29.630
   20    HA   PRO   4           HA       PRO   4  17.340  32.590  33.080
   21    HB2  PRO   4           HB2      PRO   4  19.000  35.140  32.770
   22    HB3  PRO   4           HB1      PRO   4  17.690  34.680  33.990
   23    HG2  PRO   4           HG2      PRO   4  20.250  34.490  34.730
   24    HG3  PRO   4           HG1      PRO   4  19.110  33.220  35.070
   25    HD2  PRO   4           HD2      PRO   4  21.000  33.300  32.710
   26    HD3  PRO   4           HD1      PRO   4  20.670  32.000  33.990
   27    H    DGL   5           H        DGU   5  15.740  33.040  31.590
   28    HA   DGL   5           HA       DGU   5  16.280  35.030  29.570
   29    HB2  DGL   5           HB1      DGU   5  13.690  33.600  30.060
   30    HB3  DGL   5           HB2      DGU   5  13.930  35.120  29.060
   31    HG2  DGL   5           HG1      DGU   5  14.460  36.290  31.120
   32    HG3  DGL   5           HG2      DGU   5  13.710  34.830  31.990
   33    H    DHI   6           H        DHI   6  17.160  32.090  29.410
   34    HA   DHI   6           HA       DHI   6  16.410  31.700  26.560
   35    HB2  DHI   6           HB1      DHI   6  16.460  29.580  28.690
   36    HB3  DHI   6           HB2      DHI   6  16.140  29.270  26.980
   37    HD1  DHI   6           HD1      DHI   6  14.090  30.620  25.870
   38    HD2  DHI   6           HD2      DHI   6  14.180  30.220  30.000
   39    HE1  DHI   6           HE1      DHI   6  11.540  30.730  26.760
   40    HE2  DHI   6           HE2      DHI   6  11.680  30.690  29.200
   41    HA   DPR   7           HA       DPR   7  20.980  31.700  27.260
   42    HB2  DPR   7           HB1      DPR   7  21.560  33.250  25.000
   43    HB3  DPR   7           HB2      DPR   7  21.500  33.820  26.720
   44    HG2  DPR   7           HG1      DPR   7  19.510  33.730  24.520
   45    HG3  DPR   7           HG2      DPR   7  19.700  35.140  25.590
   46    HD2  DPR   7           HD1      DPR   7  17.650  33.430  26.150
   47    HD3  DPR   7           HD2      DPR   7  18.660  33.990  27.480
   48    H    ASN   8           H        ASN   8  22.040  29.960  26.480
   49    HA   ASN   8           HA       ASN   8  20.740  28.470  24.300
   50    HB2  ASN   8           HB2      ASN   8  23.710  28.550  24.970
   51    HB3  ASN   8           HB1      ASN   8  23.000  27.630  23.640
   52   HD21  ASN   8          1HD2      ASN   8  21.710  29.110  22.000
   53   HD22  ASN   8          2HD2      ASN   8  22.490  30.610  21.570
   54    H    DAL   9           H        DAL   9  21.030  28.490  27.460
   55    HA   DAL   9           HA       DAL   9  20.840  25.570  27.620
   56    HB1  DAL   9           HB1      DAL   9  18.660  26.540  28.000
   57    HB2  DAL   9           HB2      DAL   9  19.250  27.520  29.320
   58    HB3  DAL   9           HB3      DAL   9  19.210  25.750  29.440
   59    HA   DPR  10           HA       DPR  10  24.590  26.900  30.040
   60    HB2  DPR  10           HB1      DPR  10  26.110  24.660  29.750
   61    HB3  DPR  10           HB2      DPR  10  25.940  25.820  28.390
   62    HG2  DPR  10           HG1      DPR  10  24.270  23.330  28.920
   63    HG3  DPR  10           HG2      DPR  10  25.100  23.690  27.360
   64    HD2  DPR  10           HD1      DPR  10  22.580  24.340  27.640
   65    HD3  DPR  10           HD2      DPR  10  23.660  25.670  27.010
  Start of MODEL    2
    1    H1   GLU   1           H1       GLU   1  24.483  26.053  31.405
    2    HA   GLU   1           HA       GLU   1  23.043  24.957  33.656
    3    HB2  GLU   1           HB2      GLU   1  25.487  24.751  33.526
    4    HB3  GLU   1           HB1      GLU   1  25.632  26.510  33.435
    5    HG2  GLU   1           HG2      GLU   1  25.100  26.756  35.813
    6    HG3  GLU   1           HG1      GLU   1  24.577  25.089  35.864
    7    H    DVA   2           H        DVA   2  21.214  26.644  32.720
    8    HA   DVA   2           HA       DVA   2  20.881  27.988  35.148
    9    HB   DVA   2           HB       DVA   2  19.177  27.683  32.756
   10   HG11  DVA   2          1HG1      DVA   2  19.743  25.560  33.616
   11   HG12  DVA   2          2HG1      DVA   2  18.090  25.777  33.947
   12   HG13  DVA   2          3HG1      DVA   2  19.374  25.910  35.301
   13   HG21  DVA   2          1HG2      DVA   2  18.180  29.412  34.265
   14   HG22  DVA   2          2HG2      DVA   2  18.066  28.229  35.577
   15   HG23  DVA   2          3HG2      DVA   2  17.150  27.969  34.053
   16    H    ASP   3           H        ASP   3  20.822  29.320  31.772
   17    HA   ASP   3           HA       ASP   3  21.531  31.974  32.857
   18    HB2  ASP   3           HB2      ASP   3  21.870  31.073  30.010
   19    HB3  ASP   3           HB1      ASP   3  22.603  32.387  30.875
   20    HA   PRO   4           HA       PRO   4  17.679  32.888  33.295
   21    HB2  PRO   4           HB2      PRO   4  17.507  35.515  33.027
   22    HB3  PRO   4           HB1      PRO   4  18.472  34.676  34.309
   23    HG2  PRO   4           HG2      PRO   4  19.667  36.004  31.825
   24    HG3  PRO   4           HG1      PRO   4  20.042  36.184  33.478
   25    HD2  PRO   4           HD2      PRO   4  21.167  34.306  31.727
   26    HD3  PRO   4           HD1      PRO   4  21.019  33.960  33.501
   27    H    DGL   5           H        DGU   5  15.837  32.427  32.092
   28    HA   DGL   5           HA       DGU   5  15.156  34.074  29.885
   29    HB2  DGL   5           HB1      DGU   5  13.643  32.689  31.479
   30    HB3  DGL   5           HB2      DGU   5  14.055  31.431  30.433
   31    HG2  DGL   5           HG1      DGU   5  12.785  32.237  28.622
   32    HG3  DGL   5           HG2      DGU   5  13.133  33.886  29.046
   33    H    DHI   6           H        DHI   6  17.005  31.168  29.944
   34    HA   DHI   6           HA       DHI   6  16.973  31.008  26.978
   35    HB2  DHI   6           HB1      DHI   6  17.295  28.690  28.844
   36    HB3  DHI   6           HB2      DHI   6  17.034  28.604  27.085
   37    HD1  DHI   6           HD1      DHI   6  14.749  29.895  26.329
   38    HD2  DHI   6           HD2      DHI   6  15.076  28.416  30.253
   39    HE1  DHI   6           HE1      DHI   6  12.261  29.502  27.271
   40    HE2  DHI   6           HE2      DHI   6  12.525  28.837  29.623
   41    HA   DPR   7           HA       DPR   7  21.339  31.903  27.078
   42    HB2  DPR   7           HB1      DPR   7  20.262  33.391  24.711
   43    HB3  DPR   7           HB2      DPR   7  21.649  33.755  25.676
   44    HG2  DPR   7           HG1      DPR   7  19.139  34.926  25.989
   45    HG3  DPR   7           HG2      DPR   7  19.992  34.512  27.491
   46    HD2  DPR   7           HD1      DPR   7  17.789  32.980  26.139
   47    HD3  DPR   7           HD2      DPR   7  17.967  33.370  27.858
   48    H    ASN   8           H        ASN   8  22.448  30.530  26.135
   49    HA   ASN   8           HA       ASN   8  22.086  29.231  23.598
   50    HB2  ASN   8           HB2      ASN   8  24.173  30.046  24.625
   51    HB3  ASN   8           HB1      ASN   8  24.098  28.796  25.845
   52   HD21  ASN   8          1HD2      ASN   8  24.197  29.249  22.316
   53   HD22  ASN   8          2HD2      ASN   8  25.204  27.932  21.922
   54    H    DAL   9           H        DAL   9  21.153  28.370  26.779
   55    HA   DAL   9           HA       DAL   9  21.245  25.527  26.192
   56    HB1  DAL   9           HB1      DAL   9  19.284  26.666  28.319
   57    HB2  DAL   9           HB2      DAL   9  19.260  25.083  27.567
   58    HB3  DAL   9           HB3      DAL   9  18.816  26.525  26.586
   59    HA   DPR  10           HA       DPR  10  23.951  25.256  29.476
   60    HB2  DPR  10           HB1      DPR  10  22.629  22.906  30.645
   61    HB3  DPR  10           HB2      DPR  10  24.261  22.927  30.269
   62    HG2  DPR  10           HG1      DPR  10  22.331  21.746  28.788
   63    HG3  DPR  10           HG2      DPR  10  23.626  22.710  27.867
   64    HD2  DPR  10           HD1      DPR  10  20.674  23.373  28.275
   65    HD3  DPR  10           HD2      DPR  10  21.844  23.601  26.972
  Start of MODEL    3
    1    H1   GLU   1           H1       GLU   1  24.751  25.767  31.842
    2    HA   GLU   1           HA       GLU   1  23.521  24.403  33.940
    3    HB2  GLU   1           HB2      GLU   1  25.663  25.405  33.903
    4    HB3  GLU   1           HB1      GLU   1  25.032  27.055  33.983
    5    HG2  GLU   1           HG2      GLU   1  24.071  26.765  36.154
    6    HG3  GLU   1           HG1      GLU   1  24.470  25.072  36.166
    7    H    DVA   2           H        DVA   2  22.221  26.944  32.163
    8    HA   DVA   2           HA       DVA   2  20.164  27.514  34.197
    9    HB   DVA   2           HB       DVA   2  19.718  26.749  31.437
   10   HG11  DVA   2          1HG1      DVA   2  18.823  25.558  34.130
   11   HG12  DVA   2          2HG1      DVA   2  19.956  24.857  32.944
   12   HG13  DVA   2          3HG1      DVA   2  18.233  24.924  32.649
   13   HG21  DVA   2          1HG2      DVA   2  17.720  27.856  33.393
   14   HG22  DVA   2          2HG2      DVA   2  17.189  26.954  31.896
   15   HG23  DVA   2          3HG2      DVA   2  18.086  28.511  31.835
   16    H    ASP   3           H        ASP   3  21.089  28.661  30.909
   17    HA   ASP   3           HA       ASP   3  21.810  31.103  31.862
   18    HB2  ASP   3           HB2      ASP   3  22.466  29.883  29.867
   19    HB3  ASP   3           HB1      ASP   3  21.062  30.318  28.986
   20    HA   PRO   4           HA       PRO   4  18.394  33.052  32.729
   21    HB2  PRO   4           HB2      PRO   4  18.970  35.846  31.698
   22    HB3  PRO   4           HB1      PRO   4  18.695  35.248  33.366
   23    HG2  PRO   4           HG2      PRO   4  21.130  35.852  32.370
   24    HG3  PRO   4           HG1      PRO   4  20.750  34.876  33.759
   25    HD2  PRO   4           HD2      PRO   4  21.689  34.075  30.928
   26    HD3  PRO   4           HD1      PRO   4  21.837  33.120  32.388
   27    H    DGL   5           H        DGU   5  16.449  32.866  32.081
   28    HA   DGL   5           HA       DGU   5  15.254  34.307  29.838
   29    HB2  DGL   5           HB1      DGU   5  14.091  32.362  31.723
   30    HB3  DGL   5           HB2      DGU   5  13.268  32.777  30.362
   31    HG2  DGL   5           HG1      DGU   5  13.108  34.909  30.808
   32    HG3  DGL   5           HG2      DGU   5  14.450  35.038  31.970
   33    H    DHI   6           H        DHI   6  17.426  31.842  29.648
   34    HA   DHI   6           HA       DHI   6  16.013  30.552  27.443
   35    HB2  DHI   6           HB1      DHI   6  17.533  29.451  29.797
   36    HB3  DHI   6           HB2      DHI   6  17.171  28.516  28.380
   37    HD1  DHI   6           HD1      DHI   6  14.644  27.898  27.908
   38    HD2  DHI   6           HD2      DHI   6  15.241  30.073  31.414
   39    HE1  DHI   6           HE1      DHI   6  12.473  27.561  29.501
   40    HE2  DHI   6           HE2      DHI   6  12.870  29.185  31.294
   41    HA   DPR   7           HA       DPR   7  20.413  32.520  26.490
   42    HB2  DPR   7           HB1      DPR   7  19.040  32.316  23.827
   43    HB3  DPR   7           HB2      DPR   7  20.249  33.497  24.523
   44    HG2  DPR   7           HG1      DPR   7  17.442  33.938  24.527
   45    HG3  DPR   7           HG2      DPR   7  18.638  34.624  25.631
   46    HD2  DPR   7           HD1      DPR   7  16.637  32.511  26.133
   47    HD3  DPR   7           HD2      DPR   7  17.623  33.412  27.345
   48    H    ASN   8           H        ASN   8  21.696  31.059  26.936
   49    HA   ASN   8           HA       ASN   8  22.627  29.154  24.868
   50    HB2  ASN   8           HB2      ASN   8  23.910  30.499  27.251
   51    HB3  ASN   8           HB1      ASN   8  24.800  29.466  26.067
   52   HD21  ASN   8          1HD2      ASN   8  23.206  32.539  26.599
   53   HD22  ASN   8          2HD2      ASN   8  24.015  33.455  25.310
   54    H    DAL   9           H        DAL   9  20.514  28.645  27.276
   55    HA   DAL   9           HA       DAL   9  20.692  25.931  27.260
   56    HB1  DAL   9           HB1      DAL   9  18.703  27.066  28.003
   57    HB2  DAL   9           HB2      DAL   9  19.631  27.696  29.462
   58    HB3  DAL   9           HB3      DAL   9  19.369  25.936  29.124
   59    HA   DPR  10           HA       DPR  10  24.276  25.670  29.726
   60    HB2  DPR  10           HB1      DPR  10  24.839  23.006  29.884
   61    HB3  DPR  10           HB2      DPR  10  24.870  23.949  28.372
   62    HG2  DPR  10           HG1      DPR  10  22.552  22.318  29.318
   63    HG3  DPR  10           HG2      DPR  10  23.318  22.332  27.666
   64    HD2  DPR  10           HD1      DPR  10  21.103  23.818  28.258
   65    HD3  DPR  10           HD2      DPR  10  22.235  24.251  27.029
  Start of MODEL    4
    1    H1   GLU   1           H1       GLU   1  24.712  25.426  31.125
    2    HA   GLU   1           HA       GLU   1  24.268  25.192  33.736
    3    HB2  GLU   1           HB2      GLU   1  24.759  27.684  34.057
    4    HB3  GLU   1           HB1      GLU   1  25.827  26.820  32.881
    5    HG2  GLU   1           HG2      GLU   1  24.711  27.855  31.050
    6    HG3  GLU   1           HG1      GLU   1  23.509  28.598  32.223
    7    H    DVA   2           H        DVA   2  21.660  26.762  31.787
    8    HA   DVA   2           HA       DVA   2  20.418  27.264  34.415
    9    HB   DVA   2           HB       DVA   2  18.251  27.730  33.388
   10   HG11  DVA   2          1HG1      DVA   2  18.833  27.881  31.003
   11   HG12  DVA   2          2HG1      DVA   2  17.745  26.544  31.429
   12   HG13  DVA   2          3HG1      DVA   2  19.455  26.204  31.099
   13   HG21  DVA   2          1HG2      DVA   2  19.532  24.882  33.285
   14   HG22  DVA   2          2HG2      DVA   2  17.829  25.379  33.559
   15   HG23  DVA   2          3HG2      DVA   2  19.126  25.768  34.736
   16    H    ASP   3           H        ASP   3  20.740  28.820  31.219
   17    HA   ASP   3           HA       ASP   3  21.537  31.201  32.562
   18    HB2  ASP   3           HB2      ASP   3  22.889  30.242  30.801
   19    HB3  ASP   3           HB1      ASP   3  21.770  30.102  29.639
   20    HA   PRO   4           HA       PRO   4  17.832  33.306  32.793
   21    HB2  PRO   4           HB2      PRO   4  18.945  35.768  31.445
   22    HB3  PRO   4           HB1      PRO   4  18.028  35.598  32.981
   23    HG2  PRO   4           HG2      PRO   4  20.843  35.769  33.145
   24    HG3  PRO   4           HG1      PRO   4  19.837  34.695  34.130
   25    HD2  PRO   4           HD2      PRO   4  21.160  34.309  31.437
   26    HD3  PRO   4           HD1      PRO   4  21.579  33.356  32.875
   27    H    DGL   5           H        DGU   5  15.965  33.540  31.803
   28    HA   DGL   5           HA       DGU   5  15.751  34.519  29.257
   29    HB2  DGL   5           HB1      DGU   5  13.751  32.834  30.806
   30    HB3  DGL   5           HB2      DGU   5  13.309  33.560  29.355
   31    HG2  DGL   5           HG1      DGU   5  13.916  35.803  30.181
   32    HG3  DGL   5           HG2      DGU   5  14.174  35.078  31.846
   33    H    DHI   6           H        DHI   6  17.074  31.673  29.897
   34    HA   DHI   6           HA       DHI   6  16.180  30.458  27.331
   35    HB2  DHI   6           HB1      DHI   6  17.017  29.260  29.940
   36    HB3  DHI   6           HB2      DHI   6  16.799  28.289  28.533
   37    HD1  DHI   6           HD1      DHI   6  14.210  28.220  27.407
   38    HD2  DHI   6           HD2      DHI   6  14.781  29.967  31.165
   39    HE1  DHI   6           HE1      DHI   6  11.908  28.543  28.321
   40    HE2  DHI   6           HE2      DHI   6  12.271  29.481  30.750
   41    HA   DPR   7           HA       DPR   7  20.392  32.170  27.378
   42    HB2  DPR   7           HB1      DPR   7  20.353  33.004  24.572
   43    HB3  DPR   7           HB2      DPR   7  19.909  33.938  26.006
   44    HG2  DPR   7           HG1      DPR   7  18.121  32.234  24.145
   45    HG3  DPR   7           HG2      DPR   7  17.966  33.976  24.682
   46    HD2  DPR   7           HD1      DPR   7  16.640  32.008  25.904
   47    HD3  DPR   7           HD2      DPR   7  17.450  33.226  26.848
   48    H    ASN   8           H        ASN   8  22.155  31.169  27.069
   49    HA   ASN   8           HA       ASN   8  22.725  29.375  24.983
   50    HB2  ASN   8           HB2      ASN   8  23.970  30.048  27.721
   51    HB3  ASN   8           HB1      ASN   8  24.794  28.964  26.742
   52   HD21  ASN   8          1HD2      ASN   8  24.818  32.114  27.700
   53   HD22  ASN   8          2HD2      ASN   8  25.640  32.774  26.319
   54    H    DAL   9           H        DAL   9  20.582  28.583  27.307
   55    HA   DAL   9           HA       DAL   9  20.790  25.779  26.970
   56    HB1  DAL   9           HB1      DAL   9  19.269  25.673  28.902
   57    HB2  DAL   9           HB2      DAL   9  18.658  26.461  27.494
   58    HB3  DAL   9           HB3      DAL   9  19.194  27.451  28.962
   59    HA   DPR  10           HA       DPR  10  24.127  25.101  29.196
   60    HB2  DPR  10           HB1      DPR  10  24.178  22.439  29.931
   61    HB3  DPR  10           HB2      DPR  10  24.337  23.090  28.333
   62    HG2  DPR  10           HG1      DPR  10  21.811  22.107  29.668
   63    HG3  DPR  10           HG2      DPR  10  22.264  21.704  28.044
   64    HD2  DPR  10           HD1      DPR  10  20.453  23.630  28.371
   65    HD3  DPR  10           HD2      DPR  10  21.627  23.794  27.109
  Start of MODEL    5
    1    H1   GLU   1           H1       GLU   1  23.629  25.975  31.105
    2    HA   GLU   1           HA       GLU   1  23.732  24.293  33.540
    3    HB2  GLU   1           HB2      GLU   1  25.119  26.209  34.530
    4    HB3  GLU   1           HB1      GLU   1  25.823  25.446  33.120
    5    HG2  GLU   1           HG2      GLU   1  24.674  27.327  31.728
    6    HG3  GLU   1           HG1      GLU   1  24.446  28.161  33.201
    7    H    DVA   2           H        DVA   2  21.744  26.889  32.089
    8    HA   DVA   2           HA       DVA   2  20.605  27.284  34.875
    9    HB   DVA   2           HB       DVA   2  18.424  27.318  33.863
   10   HG11  DVA   2          1HG1      DVA   2  19.712  26.514  31.266
   11   HG12  DVA   2          2HG1      DVA   2  18.745  27.974  31.611
   12   HG13  DVA   2          3HG1      DVA   2  18.035  26.346  31.596
   13   HG21  DVA   2          1HG2      DVA   2  20.082  24.854  33.285
   14   HG22  DVA   2          2HG2      DVA   2  18.361  24.757  33.190
   15   HG23  DVA   2          3HG2      DVA   2  19.091  25.203  34.751
   16    H    ASP   3           H        ASP   3  21.404  28.719  31.683
   17    HA   ASP   3           HA       ASP   3  21.613  31.160  32.873
   18    HB2  ASP   3           HB2      ASP   3  21.581  30.375  29.903
   19    HB3  ASP   3           HB1      ASP   3  22.057  32.017  30.490
   20    HA   PRO   4           HA       PRO   4  17.433  32.668  32.657
   21    HB2  PRO   4           HB2      PRO   4  17.686  35.319  32.752
   22    HB3  PRO   4           HB1      PRO   4  18.123  34.252  34.171
   23    HG2  PRO   4           HG2      PRO   4  20.064  35.389  32.186
   24    HG3  PRO   4           HG1      PRO   4  20.207  35.240  34.027
   25    HD2  PRO   4           HD2      PRO   4  21.328  33.622  32.349
   26    HD3  PRO   4           HD1      PRO   4  20.768  32.970  33.800
   27    H    DGL   5           H        DGU   5  15.739  33.806  31.590
   28    HA   DGL   5           HA       DGU   5  15.929  34.968  29.030
   29    HB2  DGL   5           HB1      DGU   5  13.764  33.272  30.418
   30    HB3  DGL   5           HB2      DGU   5  13.383  34.416  29.120
   31    HG2  DGL   5           HG1      DGU   5  12.846  35.733  30.581
   32    HG3  DGL   5           HG2      DGU   5  14.633  36.114  30.582
   33    H    DHI   6           H        DHI   6  17.007  32.026  29.576
   34    HA   DHI   6           HA       DHI   6  16.299  30.961  26.861
   35    HB2  DHI   6           HB1      DHI   6  16.615  29.568  29.462
   36    HB3  DHI   6           HB2      DHI   6  16.511  28.831  27.814
   37    HD1  DHI   6           HD1      DHI   6  13.911  28.696  26.863
   38    HD2  DHI   6           HD2      DHI   6  14.552  30.596  30.557
   39    HE1  DHI   6           HE1      DHI   6  11.663  29.003  27.987
   40    HE2  DHI   6           HE2      DHI   6  11.946  30.305  30.153
   41    HA   DPR   7           HA       DPR   7  20.989  31.543  27.602
   42    HB2  DPR   7           HB1      DPR   7  21.525  33.125  25.498
   43    HB3  DPR   7           HB2      DPR   7  21.049  33.784  27.057
   44    HG2  DPR   7           HG1      DPR   7  19.250  33.422  24.617
   45    HG3  DPR   7           HG2      DPR   7  19.353  34.829  25.630
   46    HD2  DPR   7           HD1      DPR   7  17.480  32.762  25.921
   47    HD3  DPR   7           HD2      DPR   7  18.035  33.669  27.347
   48    H    ASN   8           H        ASN   8  22.315  30.195  26.485
   49    HA   ASN   8           HA       ASN   8  21.474  28.799  24.054
   50    HB2  ASN   8           HB2      ASN   8  23.928  28.453  25.857
   51    HB3  ASN   8           HB1      ASN   8  23.759  27.870  24.133
   52   HD21  ASN   8          1HD2      ASN   8  25.548  30.078  25.846
   53   HD22  ASN   8          2HD2      ASN   8  25.576  31.211  24.516
   54    H    DAL   9           H        DAL   9  21.068  28.353  27.425
   55    HA   DAL   9           HA       DAL   9  20.332  25.541  26.962
   56    HB1  DAL   9           HB1      DAL   9  18.707  25.690  28.830
   57    HB2  DAL   9           HB2      DAL   9  18.381  26.895  27.539
   58    HB3  DAL   9           HB3      DAL   9  19.286  27.371  29.033
   59    HA   DPR  10           HA       DPR  10  23.838  24.513  29.110
   60    HB2  DPR  10           HB1      DPR  10  23.294  22.015  30.184
   61    HB3  DPR  10           HB2      DPR  10  23.506  22.201  28.407
   62    HG2  DPR  10           HG1      DPR  10  20.913  22.065  29.789
   63    HG3  DPR  10           HG2      DPR  10  21.333  21.315  28.269
   64    HD2  DPR  10           HD1      DPR  10  19.985  23.629  28.399
   65    HD3  DPR  10           HD2      DPR  10  21.231  23.478  27.078
  Start of MODEL    6
    1    H1   GLU   1           H1       GLU   1  24.981  25.403  31.994
    2    HA   GLU   1           HA       GLU   1  23.291  24.256  33.760
    3    HB2  GLU   1           HB2      GLU   1  24.504  25.116  35.519
    4    HB3  GLU   1           HB1      GLU   1  25.679  24.875  34.247
    5    HG2  GLU   1           HG2      GLU   1  25.417  27.497  33.821
    6    HG3  GLU   1           HG1      GLU   1  24.414  27.505  35.224
    7    H    DVA   2           H        DVA   2  21.904  26.939  32.294
    8    HA   DVA   2           HA       DVA   2  20.565  27.670  34.924
    9    HB   DVA   2           HB       DVA   2  18.421  27.743  33.593
   10   HG11  DVA   2          1HG1      DVA   2  19.628  25.694  31.822
   11   HG12  DVA   2          2HG1      DVA   2  19.371  27.467  31.410
   12   HG13  DVA   2          3HG1      DVA   2  17.995  26.400  31.867
   13   HG21  DVA   2          1HG2      DVA   2  17.728  25.564  34.098
   14   HG22  DVA   2          2HG2      DVA   2  18.913  26.020  35.300
   15   HG23  DVA   2          3HG2      DVA   2  19.337  24.926  33.990
   16    H    ASP   3           H        ASP   3  21.344  28.648  31.644
   17    HA   ASP   3           HA       ASP   3  21.993  31.294  32.144
   18    HB2  ASP   3           HB2      ASP   3  22.664  29.715  30.412
   19    HB3  ASP   3           HB1      ASP   3  21.186  29.929  29.626
   20    HA   PRO   4           HA       PRO   4  18.123  33.048  32.866
   21    HB2  PRO   4           HB2      PRO   4  19.211  35.648  31.615
   22    HB3  PRO   4           HB1      PRO   4  18.461  35.379  33.199
   23    HG2  PRO   4           HG2      PRO   4  21.051  35.595  33.077
   24    HG3  PRO   4           HG1      PRO   4  20.353  34.283  34.098
   25    HD2  PRO   4           HD2      PRO   4  21.352  34.112  31.301
   26    HD3  PRO   4           HD1      PRO   4  21.868  33.082  32.718
   27    H    DGL   5           H        DGU   5  16.254  32.628  31.893
   28    HA   DGL   5           HA       DGU   5  15.487  34.447  29.799
   29    HB2  DGL   5           HB1      DGU   5  14.358  33.570  31.942
   30    HB3  DGL   5           HB2      DGU   5  13.970  32.194  31.154
   31    HG2  DGL   5           HG1      DGU   5  12.516  33.575  29.461
   32    HG3  DGL   5           HG2      DGU   5  13.124  34.983  30.286
   33    H    DHI   6           H        DHI   6  17.068  31.583  29.512
   34    HA   DHI   6           HA       DHI   6  15.971  30.988  26.905
   35    HB2  DHI   6           HB1      DHI   6  16.872  29.026  28.932
   36    HB3  DHI   6           HB2      DHI   6  16.415  28.583  27.368
   37    HD1  DHI   6           HD1      DHI   6  13.790  29.193  26.740
   38    HD2  DHI   6           HD2      DHI   6  14.937  29.721  30.773
   39    HE1  DHI   6           HE1      DHI   6  11.649  29.525  28.120
   40    HE2  DHI   6           HE2      DHI   6  12.402  29.746  30.564
   41    HA   DPR   7           HA       DPR   7  20.422  32.537  26.537
   42    HB2  DPR   7           HB1      DPR   7  19.162  32.363  23.770
   43    HB3  DPR   7           HB2      DPR   7  20.268  33.644  24.346
   44    HG2  DPR   7           HG1      DPR   7  17.507  34.103  24.340
   45    HG3  DPR   7           HG2      DPR   7  18.703  34.618  25.666
   46    HD2  DPR   7           HD1      DPR   7  16.625  32.486  25.658
   47    HD3  DPR   7           HD2      DPR   7  17.188  33.435  26.942
   48    H    ASN   8           H        ASN   8  21.767  31.010  26.853
   49    HA   ASN   8           HA       ASN   8  22.537  29.518  24.577
   50    HB2  ASN   8           HB2      ASN   8  23.638  30.099  27.348
   51    HB3  ASN   8           HB1      ASN   8  24.543  29.127  26.064
   52   HD21  ASN   8          1HD2      ASN   8  23.536  32.365  27.141
   53   HD22  ASN   8          2HD2      ASN   8  24.246  33.244  25.798
   54    H    DAL   9           H        DAL   9  20.599  28.530  27.357
   55    HA   DAL   9           HA       DAL   9  20.974  25.793  26.756
   56    HB1  DAL   9           HB1      DAL   9  18.788  26.527  27.241
   57    HB2  DAL   9           HB2      DAL   9  19.272  27.431  28.670
   58    HB3  DAL   9           HB3      DAL   9  19.173  25.700  28.762
   59    HA   DPR  10           HA       DPR  10  24.187  25.906  29.839
   60    HB2  DPR  10           HB1      DPR  10  24.981  23.331  30.155
   61    HB3  DPR  10           HB2      DPR  10  25.268  24.167  28.644
   62    HG2  DPR  10           HG1      DPR  10  22.868  22.501  29.277
   63    HG3  DPR  10           HG2      DPR  10  23.859  22.395  27.759
   64    HD2  DPR  10           HD1      DPR  10  21.571  23.585  27.746
   65    HD3  DPR  10           HD2      DPR  10  23.001  24.365  26.988
  Start of MODEL    7
    1    H1   GLU   1           H1       GLU   1  24.843  25.790  31.153
    2    HA   GLU   1           HA       GLU   1  24.101  25.511  33.583
    3    HB2  GLU   1           HB2      GLU   1  25.109  27.331  34.401
    4    HB3  GLU   1           HB1      GLU   1  26.022  26.935  32.978
    5    HG2  GLU   1           HG2      GLU   1  24.642  28.539  31.631
    6    HG3  GLU   1           HG1      GLU   1  24.182  29.295  33.149
    7    H    DVA   2           H        DVA   2  21.987  27.238  31.519
    8    HA   DVA   2           HA       DVA   2  20.036  27.311  33.744
    9    HB   DVA   2           HB       DVA   2  19.369  27.640  30.796
   10   HG11  DVA   2          1HG1      DVA   2  19.018  25.321  32.654
   11   HG12  DVA   2          2HG1      DVA   2  19.908  25.353  31.043
   12   HG13  DVA   2          3HG1      DVA   2  18.178  25.637  31.217
   13   HG21  DVA   2          1HG2      DVA   2  17.737  27.589  33.371
   14   HG22  DVA   2          2HG2      DVA   2  17.137  27.208  31.716
   15   HG23  DVA   2          3HG2      DVA   2  17.769  28.798  32.022
   16    H    ASP   3           H        ASP   3  21.576  29.616  31.621
   17    HA   ASP   3           HA       ASP   3  21.411  31.771  33.261
   18    HB2  ASP   3           HB2      ASP   3  22.962  31.632  31.344
   19    HB3  ASP   3           HB1      ASP   3  21.559  31.838  30.272
   20    HA   PRO   4           HA       PRO   4  17.122  32.531  33.314
   21    HB2  PRO   4           HB2      PRO   4  18.052  35.437  33.719
   22    HB3  PRO   4           HB1      PRO   4  16.665  34.592  34.485
   23    HG2  PRO   4           HG2      PRO   4  19.071  34.873  35.674
   24    HG3  PRO   4           HG1      PRO   4  18.210  33.465  35.966
   25    HD2  PRO   4           HD2      PRO   4  20.651  33.806  34.146
   26    HD3  PRO   4           HD1      PRO   4  19.984  32.385  34.937
   27    H    DGL   5           H        DGU   5  15.785  32.545  31.671
   28    HA   DGL   5           HA       DGU   5  15.867  34.685  29.786
   29    HB2  DGL   5           HB1      DGU   5  13.849  34.501  30.795
   30    HB3  DGL   5           HB2      DGU   5  13.888  32.687  30.811
   31    HG2  DGL   5           HG1      DGU   5  13.278  32.688  28.561
   32    HG3  DGL   5           HG2      DGU   5  13.452  34.432  28.368
   33    H    DHI   6           H        DHI   6  17.317  31.712  29.777
   34    HA   DHI   6           HA       DHI   6  16.575  31.089  26.962
   35    HB2  DHI   6           HB1      DHI   6  17.194  29.089  29.053
   36    HB3  DHI   6           HB2      DHI   6  16.654  28.896  27.341
   37    HD1  DHI   6           HD1      DHI   6  14.152  29.709  26.933
   38    HD2  DHI   6           HD2      DHI   6  15.334  29.926  30.864
   39    HE1  DHI   6           HE1      DHI   6  11.978  29.646  28.240
   40    HE2  DHI   6           HE2      DHI   6  12.709  30.065  30.667
   41    HA   DPR   7           HA       DPR   7  21.334  31.546  27.481
   42    HB2  DPR   7           HB1      DPR   7  20.620  33.012  24.943
   43    HB3  DPR   7           HB2      DPR   7  22.089  33.259  25.938
   44    HG2  DPR   7           HG1      DPR   7  19.935  34.898  26.263
   45    HG3  DPR   7           HG2      DPR   7  20.618  34.090  27.789
   46    HD2  DPR   7           HD1      DPR   7  18.198  33.362  26.153
   47    HD3  DPR   7           HD2      DPR   7  18.423  33.419  27.930
   48    H    ASN   8           H        ASN   8  22.450  29.711  26.784
   49    HA   ASN   8           HA       ASN   8  21.596  28.499  24.186
   50    HB2  ASN   8           HB2      ASN   8  24.278  28.437  25.561
   51    HB3  ASN   8           HB1      ASN   8  23.888  27.682  24.006
   52   HD21  ASN   8          1HD2      ASN   8  26.129  29.427  24.215
   53   HD22  ASN   8          2HD2      ASN   8  25.868  30.912  23.429
   54    H    DAL   9           H        DAL   9  20.605  28.088  26.938
   55    HA   DAL   9           HA       DAL   9  20.738  25.132  26.995
   56    HB1  DAL   9           HB1      DAL   9  19.022  27.177  28.528
   57    HB2  DAL   9           HB2      DAL   9  19.134  25.376  28.744
   58    HB3  DAL   9           HB3      DAL   9  18.614  26.066  27.153
   59    HA   DPR  10           HA       DPR  10  24.435  25.340  29.202
   60    HB2  DPR  10           HB1      DPR  10  24.407  22.765  30.290
   61    HB3  DPR  10           HB2      DPR  10  24.943  23.136  28.722
   62    HG2  DPR  10           HG1      DPR  10  22.298  22.198  29.682
   63    HG3  DPR  10           HG2      DPR  10  23.140  21.653  28.202
   64    HD2  DPR  10           HD1      DPR  10  21.115  23.341  28.038
   65    HD3  DPR  10           HD2      DPR  10  22.596  23.667  27.060
  Start of MODEL    8
    1    H1   GLU   1           H1       GLU   1  24.759  24.537  32.298
    2    HA   GLU   1           HA       GLU   1  23.074  24.221  34.082
    3    HB2  GLU   1           HB2      GLU   1  25.404  25.447  34.436
    4    HB3  GLU   1           HB1      GLU   1  24.474  26.930  34.405
    5    HG2  GLU   1           HG2      GLU   1  23.417  26.287  36.487
    6    HG3  GLU   1           HG1      GLU   1  24.184  24.762  36.489
    7    H    DVA   2           H        DVA   2  22.365  27.334  32.453
    8    HA   DVA   2           HA       DVA   2  20.143  27.796  34.233
    9    HB   DVA   2           HB       DVA   2  19.511  27.242  31.373
   10   HG11  DVA   2          1HG1      DVA   2  19.696  25.063  32.102
   11   HG12  DVA   2          2HG1      DVA   2  18.026  25.392  32.234
   12   HG13  DVA   2          3HG1      DVA   2  18.989  25.432  33.727
   13   HG21  DVA   2          1HG2      DVA   2  17.859  28.129  33.775
   14   HG22  DVA   2          2HG2      DVA   2  17.133  27.514  32.334
   15   HG23  DVA   2          3HG2      DVA   2  18.122  28.965  32.211
   16    H    ASP   3           H        ASP   3  21.413  28.646  30.995
   17    HA   ASP   3           HA       ASP   3  22.196  31.253  31.740
   18    HB2  ASP   3           HB2      ASP   3  23.177  30.270  29.814
   19    HB3  ASP   3           HB1      ASP   3  21.722  30.108  28.948
   20    HA   PRO   4           HA       PRO   4  18.406  32.826  32.657
   21    HB2  PRO   4           HB2      PRO   4  18.718  35.490  32.751
   22    HB3  PRO   4           HB1      PRO   4  19.697  34.326  33.726
   23    HG2  PRO   4           HG2      PRO   4  20.462  35.669  31.180
   24    HG3  PRO   4           HG1      PRO   4  21.365  35.626  32.629
   25    HD2  PRO   4           HD2      PRO   4  21.804  33.798  30.653
   26    HD3  PRO   4           HD1      PRO   4  21.863  33.381  32.441
   27    H    DGL   5           H        DGU   5  16.589  32.793  31.722
   28    HA   DGL   5           HA       DGU   5  15.758  34.254  29.167
   29    HB2  DGL   5           HB1      DGU   5  14.131  33.257  31.534
   30    HB3  DGL   5           HB2      DGU   5  13.528  33.851  29.937
   31    HG2  DGL   5           HG1      DGU   5  14.677  35.974  30.315
   32    HG3  DGL   5           HG2      DGU   5  15.448  35.350  31.753
   33    H    DHI   6           H        DHI   6  17.132  31.651  29.613
   34    HA   DHI   6           HA       DHI   6  15.756  30.290  27.308
   35    HB2  DHI   6           HB1      DHI   6  17.035  29.107  29.753
   36    HB3  DHI   6           HB2      DHI   6  17.005  28.264  28.147
   37    HD1  DHI   6           HD1      DHI   6  14.915  26.653  27.873
   38    HD2  DHI   6           HD2      DHI   6  14.241  29.949  30.456
   39    HE1  DHI   6           HE1      DHI   6  12.768  26.258  29.000
   40    HE2  DHI   6           HE2      DHI   6  12.295  28.126  30.482
   41    HA   DPR   7           HA       DPR   7  19.899  32.573  26.891
   42    HB2  DPR   7           HB1      DPR   7  19.724  32.876  24.097
   43    HB3  DPR   7           HB2      DPR   7  19.248  34.150  25.284
   44    HG2  DPR   7           HG1      DPR   7  17.640  31.946  23.797
   45    HG3  DPR   7           HG2      DPR   7  17.172  33.614  24.125
   46    HD2  DPR   7           HD1      DPR   7  16.160  31.642  25.640
   47    HD3  DPR   7           HD2      DPR   7  16.619  33.156  26.299
   48    H    ASN   8           H        ASN   8  21.524  31.332  27.191
   49    HA   ASN   8           HA       ASN   8  22.443  29.539  24.906
   50    HB2  ASN   8           HB2      ASN   8  24.207  30.345  27.244
   51    HB3  ASN   8           HB1      ASN   8  24.569  29.644  25.749
   52   HD21  ASN   8          1HD2      ASN   8  24.224  32.564  27.425
   53   HD22  ASN   8          2HD2      ASN   8  24.372  33.587  25.990
   54    H    DAL   9           H        DAL   9  20.489  28.755  27.440
   55    HA   DAL   9           HA       DAL   9  21.315  26.042  27.008
   56    HB1  DAL   9           HB1      DAL   9  19.627  25.411  28.621
   57    HB2  DAL   9           HB2      DAL   9  19.050  26.648  27.423
   58    HB3  DAL   9           HB3      DAL   9  19.414  26.975  29.178
   59    HA   DPR  10           HA       DPR  10  24.564  25.544  30.082
   60    HB2  DPR  10           HB1      DPR  10  24.904  22.985  30.116
   61    HB3  DPR  10           HB2      DPR  10  25.060  23.832  28.658
   62    HG2  DPR  10           HG1      DPR  10  22.527  22.202  29.377
   63    HG3  DPR  10           HG2      DPR  10  23.487  22.164  27.920
   64    HD2  DPR  10           HD1      DPR  10  21.315  23.897  28.229
   65    HD3  DPR  10           HD2      DPR  10  22.695  24.256  27.186
  Start of MODEL    9
    1    H1   GLU   1           H1       GLU   1  24.517  26.284  31.827
    2    HA   GLU   1           HA       GLU   1  23.000  24.945  33.922
    3    HB2  GLU   1           HB2      GLU   1  25.425  25.545  33.936
    4    HB3  GLU   1           HB1      GLU   1  25.049  27.181  34.198
    5    HG2  GLU   1           HG2      GLU   1  23.869  26.233  36.464
    6    HG3  GLU   1           HG1      GLU   1  24.440  24.732  35.817
    7    H    DVA   2           H        DVA   2  21.110  26.188  32.405
    8    HA   DVA   2           HA       DVA   2  19.921  27.706  34.568
    9    HB   DVA   2           HB       DVA   2  18.040  27.997  33.006
   10   HG11  DVA   2          1HG1      DVA   2  17.834  26.863  30.976
   11   HG12  DVA   2          2HG1      DVA   2  19.503  26.189  31.175
   12   HG13  DVA   2          3HG1      DVA   2  19.280  27.888  30.902
   13   HG21  DVA   2          1HG2      DVA   2  18.159  26.104  34.612
   14   HG22  DVA   2          2HG2      DVA   2  19.242  25.236  33.430
   15   HG23  DVA   2          3HG2      DVA   2  17.528  25.557  33.088
   16    H    ASP   3           H        ASP   3  21.483  28.661  31.606
   17    HA   ASP   3           HA       ASP   3  22.145  31.250  32.015
   18    HB2  ASP   3           HB2      ASP   3  22.630  29.748  30.135
   19    HB3  ASP   3           HB1      ASP   3  21.108  29.900  29.404
   20    HA   PRO   4           HA       PRO   4  18.073  32.660  33.005
   21    HB2  PRO   4           HB2      PRO   4  18.425  35.525  32.784
   22    HB3  PRO   4           HB1      PRO   4  18.987  34.486  34.137
   23    HG2  PRO   4           HG2      PRO   4  20.571  35.416  31.806
   24    HG3  PRO   4           HG1      PRO   4  21.080  35.330  33.533
   25    HD2  PRO   4           HD2      PRO   4  21.799  33.505  31.850
   26    HD3  PRO   4           HD1      PRO   4  21.294  32.974  33.539
   27    H    DGL   5           H        DGU   5  16.209  32.843  32.031
   28    HA   DGL   5           HA       DGU   5  15.838  34.638  29.761
   29    HB2  DGL   5           HB1      DGU   5  14.348  34.360  31.795
   30    HB3  DGL   5           HB2      DGU   5  13.606  32.992  30.949
   31    HG2  DGL   5           HG1      DGU   5  13.368  34.802  29.044
   32    HG3  DGL   5           HG2      DGU   5  13.951  35.949  30.187
   33    H    DHI   6           H        DHI   6  17.007  31.499  29.831
   34    HA   DHI   6           HA       DHI   6  15.996  30.883  27.066
   35    HB2  DHI   6           HB1      DHI   6  16.889  29.094  29.438
   36    HB3  DHI   6           HB2      DHI   6  16.499  28.488  27.949
   37    HD1  DHI   6           HD1      DHI   6  14.050  28.312  26.999
   38    HD2  DHI   6           HD2      DHI   6  14.444  30.075  30.811
   39    HE1  DHI   6           HE1      DHI   6  11.812  28.146  28.009
   40    HE2  DHI   6           HE2      DHI   6  12.051  29.126  30.414
   41    HA   DPR   7           HA       DPR   7  20.454  31.816  27.161
   42    HB2  DPR   7           HB1      DPR   7  20.488  33.004  24.618
   43    HB3  DPR   7           HB2      DPR   7  20.509  33.861  26.143
   44    HG2  DPR   7           HG1      DPR   7  18.167  33.320  24.407
   45    HG3  DPR   7           HG2      DPR   7  18.509  34.762  25.481
   46    HD2  DPR   7           HD1      DPR   7  16.763  32.878  26.164
   47    HD3  DPR   7           HD2      DPR   7  17.903  33.503  27.410
   48    H    ASN   8           H        ASN   8  22.107  30.783  26.539
   49    HA   ASN   8           HA       ASN   8  21.867  29.033  24.044
   50    HB2  ASN   8           HB2      ASN   8  24.114  30.348  25.404
   51    HB3  ASN   8           HB1      ASN   8  24.275  29.043  24.205
   52   HD21  ASN   8          1HD2      ASN   8  23.287  32.600  24.561
   53   HD22  ASN   8          2HD2      ASN   8  22.941  32.697  22.855
   54    H    DAL   9           H        DAL   9  21.093  28.539  27.084
   55    HA   DAL   9           HA       DAL   9  21.697  25.779  26.645
   56    HB1  DAL   9           HB1      DAL   9  19.664  25.394  28.141
   57    HB2  DAL   9           HB2      DAL   9  19.344  26.766  27.164
   58    HB3  DAL   9           HB3      DAL   9  19.820  27.053  28.819
   59    HA   DPR  10           HA       DPR  10  24.612  25.427  29.829
   60    HB2  DPR  10           HB1      DPR  10  23.477  22.880  30.771
   61    HB3  DPR  10           HB2      DPR  10  25.125  23.057  30.055
   62    HG2  DPR  10           HG1      DPR  10  22.819  21.883  28.778
   63    HG3  DPR  10           HG2      DPR  10  24.255  22.642  27.960
   64    HD2  DPR  10           HD1      DPR  10  21.614  23.627  27.806
   65    HD3  DPR  10           HD2      DPR  10  23.120  24.185  27.057
  Start of MODEL   10
    1    H1   GLU   1           H1       GLU   1  24.631  26.428  31.488
    2    HA   GLU   1           HA       GLU   1  24.069  25.304  33.976
    3    HB2  GLU   1           HB2      GLU   1  24.424  28.192  33.152
    4    HB3  GLU   1           HB1      GLU   1  24.214  27.717  34.833
    5    HG2  GLU   1           HG2      GLU   1  26.614  27.991  34.295
    6    HG3  GLU   1           HG1      GLU   1  26.060  26.430  34.907
    7    H    DVA   2           H        DVA   2  22.150  27.495  32.073
    8    HA   DVA   2           HA       DVA   2  20.010  27.434  34.153
    9    HB   DVA   2           HB       DVA   2  19.697  27.075  31.237
   10   HG11  DVA   2          1HG1      DVA   2  18.334  24.983  31.830
   11   HG12  DVA   2          2HG1      DVA   2  18.746  25.282  33.569
   12   HG13  DVA   2          3HG1      DVA   2  19.964  24.971  32.264
   13   HG21  DVA   2          1HG2      DVA   2  17.997  28.673  31.822
   14   HG22  DVA   2          2HG2      DVA   2  17.671  27.763  33.355
   15   HG23  DVA   2          3HG2      DVA   2  17.155  27.124  31.810
   16    H    ASP   3           H        ASP   3  21.055  28.989  31.105
   17    HA   ASP   3           HA       ASP   3  21.857  31.388  32.227
   18    HB2  ASP   3           HB2      ASP   3  22.778  30.516  30.177
   19    HB3  ASP   3           HB1      ASP   3  21.160  30.524  29.434
   20    HA   PRO   4           HA       PRO   4  17.720  32.480  33.002
   21    HB2  PRO   4           HB2      PRO   4  18.545  35.373  33.348
   22    HB3  PRO   4           HB1      PRO   4  17.691  34.199  34.444
   23    HG2  PRO   4           HG2      PRO   4  20.306  35.010  34.742
   24    HG3  PRO   4           HG1      PRO   4  19.698  33.360  35.188
   25    HD2  PRO   4           HD2      PRO   4  21.120  34.152  32.809
   26    HD3  PRO   4           HD1      PRO   4  21.168  32.547  33.759
   27    H    DGL   5           H        DGU   5  16.151  32.508  31.849
   28    HA   DGL   5           HA       DGU   5  15.726  34.449  29.706
   29    HB2  DGL   5           HB1      DGU   5  13.718  32.531  30.818
   30    HB3  DGL   5           HB2      DGU   5  13.362  33.775  29.737
   31    HG2  DGL   5           HG1      DGU   5  14.466  35.328  31.710
   32    HG3  DGL   5           HG2      DGU   5  14.265  33.903  32.636
   33    H    DHI   6           H        DHI   6  17.285  31.805  29.690
   34    HA   DHI   6           HA       DHI   6  16.625  31.033  26.927
   35    HB2  DHI   6           HB1      DHI   6  16.948  28.759  28.809
   36    HB3  DHI   6           HB2      DHI   6  16.308  28.817  27.169
   37    HD1  DHI   6           HD1      DHI   6  13.908  30.361  27.047
   38    HD2  DHI   6           HD2      DHI   6  15.329  28.794  30.644
   39    HE1  DHI   6           HE1      DHI   6  11.891  30.401  28.647
   40    HE2  DHI   6           HE2      DHI   6  12.816  29.485  30.917
   41    HA   DPR   7           HA       DPR   7  21.097  31.921  27.396
   42    HB2  DPR   7           HB1      DPR   7  20.767  33.178  24.700
   43    HB3  DPR   7           HB2      DPR   7  21.369  33.930  26.129
   44    HG2  DPR   7           HG1      DPR   7  18.630  33.623  24.839
   45    HG3  DPR   7           HG2      DPR   7  19.119  34.998  25.846
   46    HD2  DPR   7           HD1      DPR   7  17.382  33.214  26.879
   47    HD3  DPR   7           HD2      DPR   7  18.799  33.659  27.874
   48    H    ASN   8           H        ASN   8  22.313  30.247  26.732
   49    HA   ASN   8           HA       ASN   8  21.489  28.675  24.274
   50    HB2  ASN   8           HB2      ASN   8  24.251  29.380  25.396
   51    HB3  ASN   8           HB1      ASN   8  23.978  28.006  24.253
   52   HD21  ASN   8          1HD2      ASN   8  24.424  31.486  24.459
   53   HD22  ASN   8          2HD2      ASN   8  24.420  31.578  22.724
   54    H    DAL   9           H        DAL   9  20.314  28.323  27.008
   55    HA   DAL   9           HA       DAL   9  20.760  25.592  27.001
   56    HB1  DAL   9           HB1      DAL   9  18.639  26.230  27.682
   57    HB2  DAL   9           HB2      DAL   9  19.298  27.454  28.737
   58    HB3  DAL   9           HB3      DAL   9  19.362  25.622  29.138
   59    HA   DPR  10           HA       DPR  10  24.371  25.454  29.494
   60    HB2  DPR  10           HB1      DPR  10  23.366  22.733  30.104
   61    HB3  DPR  10           HB2      DPR  10  25.082  23.197  29.957
   62    HG2  DPR  10           HG1      DPR  10  23.636  22.212  27.852
   63    HG3  DPR  10           HG2      DPR  10  24.632  23.680  27.543
   64    HD2  DPR  10           HD1      DPR  10  21.640  23.363  27.864
   65    HD3  DPR  10           HD2      DPR  10  22.623  24.497  26.905
  Start of MODEL   11
    1    H1   GLU   1           H1       GLU   1  24.172  26.589  31.574
    2    HA   GLU   1           HA       GLU   1  23.698  24.637  33.778
    3    HB2  GLU   1           HB2      GLU   1  24.462  27.570  33.908
    4    HB3  GLU   1           HB1      GLU   1  24.417  26.484  35.237
    5    HG2  GLU   1           HG2      GLU   1  26.158  25.031  34.132
    6    HG3  GLU   1           HG1      GLU   1  26.294  26.220  32.881
    7    H    DVA   2           H        DVA   2  21.749  26.737  31.982
    8    HA   DVA   2           HA       DVA   2  19.817  27.204  34.200
    9    HB   DVA   2           HB       DVA   2  19.322  27.151  31.210
   10   HG11  DVA   2          1HG1      DVA   2  17.865  25.106  31.729
   11   HG12  DVA   2          2HG1      DVA   2  18.703  25.029  33.301
   12   HG13  DVA   2          3HG1      DVA   2  19.640  24.930  31.848
   13   HG21  DVA   2          1HG2      DVA   2  16.917  27.277  31.758
   14   HG22  DVA   2          2HG2      DVA   2  17.744  28.613  32.516
   15   HG23  DVA   2          3HG2      DVA   2  17.262  27.149  33.450
   16    H    ASP   3           H        ASP   3  20.687  28.769  31.110
   17    HA   ASP   3           HA       ASP   3  21.613  31.091  32.579
   18    HB2  ASP   3           HB2      ASP   3  22.523  30.094  30.371
   19    HB3  ASP   3           HB1      ASP   3  21.244  30.784  29.588
   20    HA   PRO   4           HA       PRO   4  18.025  33.312  32.985
   21    HB2  PRO   4           HB2      PRO   4  19.632  35.780  32.137
   22    HB3  PRO   4           HB1      PRO   4  18.441  35.723  33.347
   23    HG2  PRO   4           HG2      PRO   4  20.996  35.369  34.064
   24    HG3  PRO   4           HG1      PRO   4  19.765  34.221  34.758
   25    HD2  PRO   4           HD2      PRO   4  21.764  33.835  32.536
   26    HD3  PRO   4           HD1      PRO   4  21.129  32.657  33.696
   27    H    DGL   5           H        DGU   5  16.368  32.932  31.712
   28    HA   DGL   5           HA       DGU   5  15.685  34.451  29.184
   29    HB2  DGL   5           HB1      DGU   5  14.269  32.835  31.287
   30    HB3  DGL   5           HB2      DGU   5  13.556  33.441  29.758
   31    HG2  DGL   5           HG1      DGU   5  13.995  35.590  30.215
   32    HG3  DGL   5           HG2      DGU   5  14.764  35.359  31.785
   33    H    DHI   6           H        DHI   6  17.246  31.568  29.914
   34    HA   DHI   6           HA       DHI   6  16.231  30.446  27.417
   35    HB2  DHI   6           HB1      DHI   6  17.498  29.043  29.739
   36    HB3  DHI   6           HB2      DHI   6  17.110  28.190  28.328
   37    HD1  DHI   6           HD1      DHI   6  14.622  27.419  28.124
   38    HD2  DHI   6           HD2      DHI   6  15.318  30.019  31.297
   39    HE1  DHI   6           HE1      DHI   6  12.704  27.008  29.754
   40    HE2  DHI   6           HE2      DHI   6  12.911  28.824  31.565
   41    HA   DPR   7           HA       DPR   7  20.441  31.962  27.183
   42    HB2  DPR   7           HB1      DPR   7  20.622  33.138  24.766
   43    HB3  DPR   7           HB2      DPR   7  19.985  34.112  26.117
   44    HG2  DPR   7           HG1      DPR   7  18.209  32.459  24.221
   45    HG3  DPR   7           HG2      DPR   7  17.963  34.044  24.615
   46    HD2  DPR   7           HD1      DPR   7  16.624  32.126  25.967
   47    HD3  DPR   7           HD2      DPR   7  17.511  33.388  26.878
   48    H    ASN   8           H        ASN   8  22.112  31.008  26.454
   49    HA   ASN   8           HA       ASN   8  22.373  29.130  24.301
   50    HB2  ASN   8           HB2      ASN   8  23.750  29.820  26.802
   51    HB3  ASN   8           HB1      ASN   8  24.366  28.356  26.134
   52   HD21  ASN   8          1HD2      ASN   8  24.401  31.620  26.147
   53   HD22  ASN   8          2HD2      ASN   8  25.534  31.957  24.817
   54    H    DAL   9           H        DAL   9  21.119  28.743  27.661
   55    HA   DAL   9           HA       DAL   9  21.019  25.837  27.089
   56    HB1  DAL   9           HB1      DAL   9  19.365  25.630  28.787
   57    HB2  DAL   9           HB2      DAL   9  18.799  26.375  27.273
   58    HB3  DAL   9           HB3      DAL   9  19.128  27.454  28.630
   59    HA   DPR  10           HA       DPR  10  24.429  26.093  29.640
   60    HB2  DPR  10           HB1      DPR  10  25.193  23.452  29.826
   61    HB3  DPR  10           HB2      DPR  10  25.548  24.423  28.342
   62    HG2  DPR  10           HG1      DPR  10  23.213  22.500  28.756
   63    HG3  DPR  10           HG2      DPR  10  24.271  22.804  27.320
   64    HD2  DPR  10           HD1      DPR  10  21.722  23.850  27.762
   65    HD3  DPR  10           HD2      DPR  10  22.988  24.529  26.714
  Start of MODEL   12
    1    H1   GLU   1           H1       GLU   1  24.633  25.574  31.398
    2    HA   GLU   1           HA       GLU   1  23.890  24.476  33.732
    3    HB2  GLU   1           HB2      GLU   1  25.040  27.227  33.381
    4    HB3  GLU   1           HB1      GLU   1  24.669  26.470  35.001
    5    HG2  GLU   1           HG2      GLU   1  26.833  25.718  34.717
    6    HG3  GLU   1           HG1      GLU   1  26.125  24.557  33.542
    7    H    DVA   2           H        DVA   2  22.103  26.990  32.115
    8    HA   DVA   2           HA       DVA   2  20.320  27.237  34.446
    9    HB   DVA   2           HB       DVA   2  19.473  26.730  31.620
   10   HG11  DVA   2          1HG1      DVA   2  20.022  24.784  32.806
   11   HG12  DVA   2          2HG1      DVA   2  18.275  24.737  32.472
   12   HG13  DVA   2          3HG1      DVA   2  18.734  25.067  34.048
   13   HG21  DVA   2          1HG2      DVA   2  17.214  27.008  32.446
   14   HG22  DVA   2          2HG2      DVA   2  17.956  28.502  33.052
   15   HG23  DVA   2          3HG2      DVA   2  17.683  27.193  34.143
   16    H    ASP   3           H        ASP   3  21.086  28.561  31.167
   17    HA   ASP   3           HA       ASP   3  21.699  31.122  32.039
   18    HB2  ASP   3           HB2      ASP   3  20.473  30.211  29.404
   19    HB3  ASP   3           HB1      ASP   3  21.125  31.855  29.752
   20    HA   PRO   4           HA       PRO   4  17.659  32.745  33.193
   21    HB2  PRO   4           HB2      PRO   4  17.995  35.379  32.883
   22    HB3  PRO   4           HB1      PRO   4  18.617  34.516  34.280
   23    HG2  PRO   4           HG2      PRO   4  20.029  35.274  31.682
   24    HG3  PRO   4           HG1      PRO   4  20.722  35.454  33.323
   25    HD2  PRO   4           HD2      PRO   4  21.390  33.325  31.842
   26    HD3  PRO   4           HD1      PRO   4  21.079  33.152  33.555
   27    H    DGL   5           H        DGU   5  15.818  32.559  31.637
   28    HA   DGL   5           HA       DGU   5  15.738  34.808  29.875
   29    HB2  DGL   5           HB1      DGU   5  13.865  34.028  31.368
   30    HB3  DGL   5           HB2      DGU   5  13.817  32.478  30.582
   31    HG2  DGL   5           HG1      DGU   5  11.896  33.823  29.764
   32    HG3  DGL   5           HG2      DGU   5  12.999  33.465  28.515
   33    H    DHI   6           H        DHI   6  16.978  31.727  29.558
   34    HA   DHI   6           HA       DHI   6  16.652  31.833  26.562
   35    HB2  DHI   6           HB1      DHI   6  16.471  29.297  28.240
   36    HB3  DHI   6           HB2      DHI   6  16.490  29.471  26.465
   37    HD1  DHI   6           HD1      DHI   6  14.199  30.582  25.397
   38    HD2  DHI   6           HD2      DHI   6  14.110  29.819  29.582
   39    HE1  DHI   6           HE1      DHI   6  11.779  30.377  26.115
   40    HE2  DHI   6           HE2      DHI   6  11.763  30.281  28.666
   41    HA   DPR   7           HA       DPR   7  21.209  31.749  27.494
   42    HB2  DPR   7           HB1      DPR   7  21.721  33.001  25.024
   43    HB3  DPR   7           HB2      DPR   7  21.807  33.787  26.642
   44    HG2  DPR   7           HG1      DPR   7  19.650  33.815  24.622
   45    HG3  DPR   7           HG2      DPR   7  20.026  35.013  25.877
   46    HD2  DPR   7           HD1      DPR   7  17.759  33.531  26.070
   47    HD3  DPR   7           HD2      DPR   7  18.756  33.972  27.491
   48    H    ASN   8           H        ASN   8  22.087  29.767  26.757
   49    HA   ASN   8           HA       ASN   8  20.938  28.635  24.367
   50    HB2  ASN   8           HB2      ASN   8  23.939  28.392  25.235
   51    HB3  ASN   8           HB1      ASN   8  23.234  27.515  24.007
   52   HD21  ASN   8          1HD2      ASN   8  23.915  30.942  24.933
   53   HD22  ASN   8          2HD2      ASN   8  23.444  31.557  23.360
   54    H    DAL   9           H        DAL   9  20.700  28.285  27.584
   55    HA   DAL   9           HA       DAL   9  20.406  25.435  27.476
   56    HB1  DAL   9           HB1      DAL   9  19.232  27.455  29.418
   57    HB2  DAL   9           HB2      DAL   9  18.871  25.677  29.272
   58    HB3  DAL   9           HB3      DAL   9  18.405  26.839  28.028
   59    HA   DPR  10           HA       DPR  10  24.089  25.337  29.430
   60    HB2  DPR  10           HB1      DPR  10  24.772  22.886  29.592
   61    HB3  DPR  10           HB2      DPR  10  24.358  23.702  27.989
   62    HG2  DPR  10           HG1      DPR  10  22.677  21.957  29.723
   63    HG3  DPR  10           HG2      DPR  10  22.861  21.723  27.968
   64    HD2  DPR  10           HD1      DPR  10  20.683  23.107  28.985
   65    HD3  DPR  10           HD2      DPR  10  21.369  23.610  27.575
  Start of MODEL   13
    1    H1   GLU   1           H1       GLU   1  24.529  26.186  31.761
    2    HA   GLU   1           HA       GLU   1  23.996  24.327  33.866
    3    HB2  GLU   1           HB2      GLU   1  24.817  27.281  34.135
    4    HB3  GLU   1           HB1      GLU   1  24.669  26.180  35.449
    5    HG2  GLU   1           HG2      GLU   1  26.282  24.848  34.766
    6    HG3  GLU   1           HG1      GLU   1  26.528  25.544  33.094
    7    H    DVA   2           H        DVA   2  22.339  27.058  32.383
    8    HA   DVA   2           HA       DVA   2  20.392  27.296  34.620
    9    HB   DVA   2           HB       DVA   2  19.238  26.746  31.885
   10   HG11  DVA   2          1HG1      DVA   2  20.086  24.633  32.994
   11   HG12  DVA   2          2HG1      DVA   2  18.325  24.724  32.815
   12   HG13  DVA   2          3HG1      DVA   2  18.911  24.958  34.364
   13   HG21  DVA   2          1HG2      DVA   2  17.879  28.290  33.157
   14   HG22  DVA   2          2HG2      DVA   2  18.129  27.135  34.553
   15   HG23  DVA   2          3HG2      DVA   2  17.143  26.713  33.124
   16    H    ASP   3           H        ASP   3  20.984  28.451  31.329
   17    HA   ASP   3           HA       ASP   3  21.560  31.122  31.948
   18    HB2  ASP   3           HB2      ASP   3  20.405  29.967  29.427
   19    HB3  ASP   3           HB1      ASP   3  20.928  31.537  29.613
   20    HA   PRO   4           HA       PRO   4  17.403  32.460  33.005
   21    HB2  PRO   4           HB2      PRO   4  19.039  35.046  32.941
   22    HB3  PRO   4           HB1      PRO   4  17.743  34.567  34.090
   23    HG2  PRO   4           HG2      PRO   4  20.213  34.391  34.741
   24    HG3  PRO   4           HG1      PRO   4  19.223  32.872  35.073
   25    HD2  PRO   4           HD2      PRO   4  21.085  33.542  32.866
   26    HD3  PRO   4           HD1      PRO   4  20.996  32.073  33.783
   27    H    DGL   5           H        DGU   5  15.732  33.249  31.698
   28    HA   DGL   5           HA       DGU   5  16.130  35.010  29.457
   29    HB2  DGL   5           HB1      DGU   5  14.187  34.869  31.031
   30    HB3  DGL   5           HB2      DGU   5  13.907  33.217  30.534
   31    HG2  DGL   5           HG1      DGU   5  13.203  34.209  28.256
   32    HG3  DGL   5           HG2      DGU   5  13.657  35.831  29.002
   33    H    DHI   6           H        DHI   6  17.149  32.100  29.474
   34    HA   DHI   6           HA       DHI   6  16.329  31.517  26.649
   35    HB2  DHI   6           HB1      DHI   6  16.796  29.654  28.935
   36    HB3  DHI   6           HB2      DHI   6  16.621  29.034  27.255
   37    HD1  DHI   6           HD1      DHI   6  13.990  29.168  26.432
   38    HD2  DHI   6           HD2      DHI   6  14.815  30.417  30.318
   39    HE1  DHI   6           HE1      DHI   6  11.631  29.695  27.640
   40    HE2  DHI   6           HE2      DHI   6  12.272  30.431  29.936
   41    HA   DPR   7           HA       DPR   7  21.130  31.727  27.314
   42    HB2  DPR   7           HB1      DPR   7  21.752  33.028  25.164
   43    HB3  DPR   7           HB2      DPR   7  21.338  33.818  26.756
   44    HG2  DPR   7           HG1      DPR   7  19.508  33.686  24.331
   45    HG3  DPR   7           HG2      DPR   7  19.777  34.992  25.431
   46    HD2  DPR   7           HD1      DPR   7  17.692  33.280  25.774
   47    HD3  DPR   7           HD2      DPR   7  18.501  34.097  27.101
   48    H    ASN   8           H        ASN   8  22.373  30.203  26.619
   49    HA   ASN   8           HA       ASN   8  21.564  28.641  24.348
   50    HB2  ASN   8           HB2      ASN   8  24.420  28.780  25.542
   51    HB3  ASN   8           HB1      ASN   8  23.719  27.916  24.158
   52   HD21  ASN   8          1HD2      ASN   8  24.734  30.985  25.216
   53   HD22  ASN   8          2HD2      ASN   8  24.725  31.865  23.729
   54    H    DAL   9           H        DAL   9  20.716  28.556  27.385
   55    HA   DAL   9           HA       DAL   9  20.498  25.672  27.442
   56    HB1  DAL   9           HB1      DAL   9  19.417  27.798  29.230
   57    HB2  DAL   9           HB2      DAL   9  18.924  26.048  29.074
   58    HB3  DAL   9           HB3      DAL   9  18.628  27.214  27.772
   59    HA   DPR  10           HA       DPR  10  24.233  25.916  29.700
   60    HB2  DPR  10           HB1      DPR  10  25.127  23.350  29.820
   61    HB3  DPR  10           HB2      DPR  10  24.974  24.253  28.297
   62    HG2  DPR  10           HG1      DPR  10  22.942  22.274  29.452
   63    HG3  DPR  10           HG2      DPR  10  23.752  22.380  27.843
   64    HD2  DPR  10           HD1      DPR  10  21.407  23.518  28.371
   65    HD3  DPR  10           HD2      DPR  10  22.425  24.332  27.158
  Start of MODEL   14
    1    H1   GLU   1           H1       GLU   1  24.132  26.297  31.680
    2    HA   GLU   1           HA       GLU   1  23.348  24.268  33.750
    3    HB2  GLU   1           HB2      GLU   1  25.362  26.256  34.245
    4    HB3  GLU   1           HB1      GLU   1  24.714  25.362  35.559
    5    HG2  GLU   1           HG2      GLU   1  25.410  23.226  34.715
    6    HG3  GLU   1           HG1      GLU   1  25.952  23.839  33.201
    7    H    DVA   2           H        DVA   2  22.204  27.003  32.296
    8    HA   DVA   2           HA       DVA   2  20.756  27.861  34.692
    9    HB   DVA   2           HB       DVA   2  19.478  27.185  32.000
   10   HG11  DVA   2          1HG1      DVA   2  18.490  25.383  33.081
   11   HG12  DVA   2          2HG1      DVA   2  19.290  25.761  34.633
   12   HG13  DVA   2          3HG1      DVA   2  20.265  25.157  33.291
   13   HG21  DVA   2          1HG2      DVA   2  17.514  27.369  33.034
   14   HG22  DVA   2          2HG2      DVA   2  18.374  28.969  33.241
   15   HG23  DVA   2          3HG2      DVA   2  18.319  27.842  34.619
   16    H    ASP   3           H        ASP   3  21.287  28.744  31.328
   17    HA   ASP   3           HA       ASP   3  21.825  31.547  31.746
   18    HB2  ASP   3           HB2      ASP   3  20.596  30.346  29.332
   19    HB3  ASP   3           HB1      ASP   3  21.342  31.972  29.592
   20    HA   PRO   4           HA       PRO   4  17.853  32.659  33.132
   21    HB2  PRO   4           HB2      PRO   4  18.095  35.453  32.774
   22    HB3  PRO   4           HB1      PRO   4  18.527  34.536  34.178
   23    HG2  PRO   4           HG2      PRO   4  20.173  35.581  31.978
   24    HG3  PRO   4           HG1      PRO   4  20.608  35.190  33.757
   25    HD2  PRO   4           HD2      PRO   4  21.381  33.694  31.501
   26    HD3  PRO   4           HD1      PRO   4  21.300  33.089  33.142
   27    H    DGL   5           H        DGU   5  16.003  32.266  31.727
   28    HA   DGL   5           HA       DGU   5  15.223  34.326  29.898
   29    HB2  DGL   5           HB1      DGU   5  13.815  33.303  31.503
   30    HB3  DGL   5           HB2      DGU   5  14.138  31.631  30.848
   31    HG2  DGL   5           HG1      DGU   5  13.036  32.600  28.723
   32    HG3  DGL   5           HG2      DGU   5  12.771  34.095  29.690
   33    H    DHI   6           H        DHI   6  16.825  31.228  29.358
   34    HA   DHI   6           HA       DHI   6  16.507  31.595  26.474
   35    HB2  DHI   6           HB1      DHI   6  16.703  28.998  27.805
   36    HB3  DHI   6           HB2      DHI   6  16.526  29.304  26.105
   37    HD1  DHI   6           HD1      DHI   6  14.027  30.682  25.390
   38    HD2  DHI   6           HD2      DHI   6  14.551  29.272  29.301
   39    HE1  DHI   6           HE1      DHI   6  11.631  30.301  26.421
   40    HE2  DHI   6           HE2      DHI   6  12.002  29.650  28.759
   41    HA   DPR   7           HA       DPR   7  21.044  32.082  27.325
   42    HB2  DPR   7           HB1      DPR   7  21.490  33.637  25.245
   43    HB3  DPR   7           HB2      DPR   7  20.819  34.217  26.800
   44    HG2  DPR   7           HG1      DPR   7  19.229  33.483  24.255
   45    HG3  DPR   7           HG2      DPR   7  19.006  35.002  25.079
   46    HD2  DPR   7           HD1      DPR   7  17.399  33.023  25.700
   47    HD3  DPR   7           HD2      DPR   7  18.001  33.946  27.034
   48    H    ASN   8           H        ASN   8  21.978  30.283  26.784
   49    HA   ASN   8           HA       ASN   8  21.201  28.756  24.497
   50    HB2  ASN   8           HB2      ASN   8  24.080  29.167  25.388
   51    HB3  ASN   8           HB1      ASN   8  23.607  28.330  23.931
   52   HD21  ASN   8          1HD2      ASN   8  24.243  31.614  24.977
   53   HD22  ASN   8          2HD2      ASN   8  23.851  32.295  23.340
   54    H    DAL   9           H        DAL   9  20.752  28.700  27.426
   55    HA   DAL   9           HA       DAL   9  20.574  25.862  27.372
   56    HB1  DAL   9           HB1      DAL   9  19.298  28.130  28.779
   57    HB2  DAL   9           HB2      DAL   9  19.150  26.545  29.523
   58    HB3  DAL   9           HB3      DAL   9  18.558  26.810  27.821
   59    HA   DPR  10           HA       DPR  10  24.353  25.813  29.707
   60    HB2  DPR  10           HB1      DPR  10  24.859  23.282  29.901
   61    HB3  DPR  10           HB2      DPR  10  24.989  24.006  28.290
   62    HG2  DPR  10           HG1      DPR  10  22.528  22.564  29.266
   63    HG3  DPR  10           HG2      DPR  10  23.443  22.396  27.644
   64    HD2  DPR  10           HD1      DPR  10  21.317  23.899  27.976
   65    HD3  DPR  10           HD2      DPR  10  22.680  24.413  26.949
  Start of MODEL   15
    1    H1   GLU   1           H1       GLU   1  24.647  25.877  31.439
    2    HA   GLU   1           HA       GLU   1  23.981  24.651  33.857
    3    HB2  GLU   1           HB2      GLU   1  25.204  27.208  33.548
    4    HB3  GLU   1           HB1      GLU   1  25.370  26.125  34.938
    5    HG2  GLU   1           HG2      GLU   1  26.730  24.511  33.684
    6    HG3  GLU   1           HG1      GLU   1  26.690  25.559  32.292
    7    H    DVA   2           H        DVA   2  22.076  26.981  32.277
    8    HA   DVA   2           HA       DVA   2  20.952  27.870  34.834
    9    HB   DVA   2           HB       DVA   2  19.281  27.058  32.388
   10   HG11  DVA   2          1HG1      DVA   2  19.878  25.691  35.122
   11   HG12  DVA   2          2HG1      DVA   2  20.251  25.084  33.543
   12   HG13  DVA   2          3HG1      DVA   2  18.581  25.197  34.155
   13   HG21  DVA   2          1HG2      DVA   2  17.328  27.368  34.020
   14   HG22  DVA   2          2HG2      DVA   2  18.240  28.937  33.833
   15   HG23  DVA   2          3HG2      DVA   2  18.339  27.735  35.160
   16    H    ASP   3           H        ASP   3  21.208  28.662  31.236
   17    HA   ASP   3           HA       ASP   3  21.719  31.397  32.006
   18    HB2  ASP   3           HB2      ASP   3  20.916  30.470  29.338
   19    HB3  ASP   3           HB1      ASP   3  21.924  31.840  29.938
   20    HA   PRO   4           HA       PRO   4  17.753  32.746  32.814
   21    HB2  PRO   4           HB2      PRO   4  18.131  35.428  32.665
   22    HB3  PRO   4           HB1      PRO   4  18.689  34.507  33.940
   23    HG2  PRO   4           HG2      PRO   4  20.289  35.435  31.467
   24    HG3  PRO   4           HG1      PRO   4  20.852  35.473  33.195
   25    HD2  PRO   4           HD2      PRO   4  21.536  33.487  31.410
   26    HD3  PRO   4           HD1      PRO   4  21.338  33.226  33.117
   27    H    DGL   5           H        DGU   5  16.023  32.864  31.810
   28    HA   DGL   5           HA       DGU   5  15.245  34.438  29.666
   29    HB2  DGL   5           HB1      DGU   5  14.064  33.210  31.691
   30    HB3  DGL   5           HB2      DGU   5  14.112  31.861  30.639
   31    HG2  DGL   5           HG1      DGU   5  12.650  32.837  28.954
   32    HG3  DGL   5           HG2      DGU   5  12.705  34.351  29.793
   33    H    DHI   6           H        DHI   6  17.214  31.788  29.311
   34    HA   DHI   6           HA       DHI   6  16.336  31.169  26.622
   35    HB2  DHI   6           HB1      DHI   6  16.911  28.971  28.669
   36    HB3  DHI   6           HB2      DHI   6  16.765  28.777  27.009
   37    HD1  DHI   6           HD1      DHI   6  14.220  29.947  26.065
   38    HD2  DHI   6           HD2      DHI   6  14.734  28.764  30.010
   39    HE1  DHI   6           HE1      DHI   6  11.869  29.511  26.901
   40    HE2  DHI   6           HE2      DHI   6  12.179  28.896  29.504
   41    HA   DPR   7           HA       DPR   7  20.898  32.091  27.656
   42    HB2  DPR   7           HB1      DPR   7  21.551  33.845  25.676
   43    HB3  DPR   7           HB2      DPR   7  20.834  34.208  27.158
   44    HG2  DPR   7           HG1      DPR   7  19.177  33.589  24.537
   45    HG3  DPR   7           HG2      DPR   7  19.091  35.068  25.635
   46    HD2  DPR   7           HD1      DPR   7  17.417  32.990  25.952
   47    HD3  DPR   7           HD2      DPR   7  18.175  33.803  27.431
   48    H    ASN   8           H        ASN   8  22.064  30.384  27.091
   49    HA   ASN   8           HA       ASN   8  21.701  29.108  24.547
   50    HB2  ASN   8           HB2      ASN   8  24.267  29.493  26.031
   51    HB3  ASN   8           HB1      ASN   8  24.249  28.453  24.652
   52   HD21  ASN   8          1HD2      ASN   8  25.084  31.567  25.722
   53   HD22  ASN   8          2HD2      ASN   8  24.819  32.377  24.218
   54    H    DAL   9           H        DAL   9  20.349  28.493  27.095
   55    HA   DAL   9           HA       DAL   9  20.337  25.730  26.953
   56    HB1  DAL   9           HB1      DAL   9  19.077  27.709  28.810
   57    HB2  DAL   9           HB2      DAL   9  18.674  25.971  28.780
   58    HB3  DAL   9           HB3      DAL   9  18.378  26.933  27.351
   59    HA   DPR  10           HA       DPR  10  23.909  25.906  29.489
   60    HB2  DPR  10           HB1      DPR  10  23.980  22.843  29.445
   61    HB3  DPR  10           HB2      DPR  10  25.305  24.066  29.174
   62    HG2  DPR  10           HG1      DPR  10  23.923  22.807  27.183
   63    HG3  DPR  10           HG2      DPR  10  24.152  24.597  26.984
   64    HD2  DPR  10           HD1      DPR  10  21.666  23.232  28.105
   65    HD3  DPR  10           HD2      DPR  10  21.935  24.437  26.813
  Start of MODEL   16
    1    H1   GLU   1           H1       GLU   1  24.507  25.947  31.586
    2    HA   GLU   1           HA       GLU   1  23.045  24.881  33.898
    3    HB2  GLU   1           HB2      GLU   1  25.547  24.990  33.868
    4    HB3  GLU   1           HB1      GLU   1  25.365  26.793  33.928
    5    HG2  GLU   1           HG2      GLU   1  23.860  26.290  36.069
    6    HG3  GLU   1           HG1      GLU   1  24.609  24.651  35.952
    7    H    DVA   2           H        DVA   2  21.809  26.664  31.868
    8    HA   DVA   2           HA       DVA   2  20.360  27.586  34.123
    9    HB   DVA   2           HB       DVA   2  19.525  27.165  31.205
   10   HG11  DVA   2          1HG1      DVA   2  18.214  25.442  32.981
   11   HG12  DVA   2          2HG1      DVA   2  19.870  25.493  33.551
   12   HG13  DVA   2          3HG1      DVA   2  19.628  25.093  31.868
   13   HG21  DVA   2          1HG2      DVA   2  18.104  28.888  32.118
   14   HG22  DVA   2          2HG2      DVA   2  17.980  28.114  33.697
   15   HG23  DVA   2          3HG2      DVA   2  17.249  27.396  32.201
   16    H    ASP   3           H        ASP   3  21.380  29.105  30.894
   17    HA   ASP   3           HA       ASP   3  21.736  31.605  32.070
   18    HB2  ASP   3           HB2      ASP   3  20.894  31.174  29.172
   19    HB3  ASP   3           HB1      ASP   3  21.989  32.390  29.851
   20    HA   PRO   4           HA       PRO   4  18.009  33.468  32.946
   21    HB2  PRO   4           HB2      PRO   4  18.881  35.845  31.482
   22    HB3  PRO   4           HB1      PRO   4  18.114  35.728  33.090
   23    HG2  PRO   4           HG2      PRO   4  20.862  36.075  32.543
   24    HG3  PRO   4           HG1      PRO   4  20.313  35.061  33.952
   25    HD2  PRO   4           HD2      PRO   4  21.357  34.153  31.340
   26    HD3  PRO   4           HD1      PRO   4  21.577  33.480  32.910
   27    H    DGL   5           H        DGU   5  15.988  33.082  32.137
   28    HA   DGL   5           HA       DGU   5  14.909  34.105  29.817
   29    HB2  DGL   5           HB1      DGU   5  14.274  31.625  31.527
   30    HB3  DGL   5           HB2      DGU   5  13.288  32.169  30.149
   31    HG2  DGL   5           HG1      DGU   5  13.941  33.905  32.531
   32    HG3  DGL   5           HG2      DGU   5  12.492  32.860  32.397
   33    H    DHI   6           H        DHI   6  17.119  31.479  30.090
   34    HA   DHI   6           HA       DHI   6  16.548  30.631  27.339
   35    HB2  DHI   6           HB1      DHI   6  17.583  28.894  29.585
   36    HB3  DHI   6           HB2      DHI   6  17.298  28.382  27.980
   37    HD1  DHI   6           HD1      DHI   6  14.513  28.967  27.138
   38    HD2  DHI   6           HD2      DHI   6  15.443  28.649  31.190
   39    HE1  DHI   6           HE1      DHI   6  12.315  28.433  28.399
   40    HE2  DHI   6           HE2      DHI   6  12.897  28.085  30.789
   41    HA   DPR   7           HA       DPR   7  20.858  32.319  27.234
   42    HB2  DPR   7           HB1      DPR   7  20.681  33.530  24.718
   43    HB3  DPR   7           HB2      DPR   7  20.377  34.233  26.332
   44    HG2  DPR   7           HG1      DPR   7  18.451  32.929  24.317
   45    HG3  DPR   7           HG2      DPR   7  18.138  34.494  25.104
   46    HD2  DPR   7           HD1      DPR   7  16.938  32.563  26.390
   47    HD3  DPR   7           HD2      DPR   7  17.975  33.626  27.344
   48    H    ASN   8           H        ASN   8  21.809  30.405  27.030
   49    HA   ASN   8           HA       ASN   8  22.050  29.047  24.419
   50    HB2  ASN   8           HB2      ASN   8  24.282  29.932  26.174
   51    HB3  ASN   8           HB1      ASN   8  24.327  28.853  24.690
   52   HD21  ASN   8          1HD2      ASN   8  24.571  30.045  22.586
   53   HD22  ASN   8          2HD2      ASN   8  24.215  31.778  22.659
   54    H    DAL   9           H        DAL   9  21.139  28.652  27.676
   55    HA   DAL   9           HA       DAL   9  21.044  25.746  27.008
   56    HB1  DAL   9           HB1      DAL   9  19.323  25.834  28.888
   57    HB2  DAL   9           HB2      DAL   9  18.810  27.014  27.572
   58    HB3  DAL   9           HB3      DAL   9  19.739  27.557  28.915
   59    HA   DPR  10           HA       DPR  10  24.210  25.003  29.493
   60    HB2  DPR  10           HB1      DPR  10  23.424  22.185  30.090
   61    HB3  DPR  10           HB2      DPR  10  24.799  22.928  29.192
   62    HG2  DPR  10           HG1      DPR  10  22.693  21.705  27.962
   63    HG3  DPR  10           HG2      DPR  10  23.499  23.139  27.139
   64    HD2  DPR  10           HD1      DPR  10  21.166  23.175  29.016
   65    HD3  DPR  10           HD2      DPR  10  21.292  23.880  27.313
  Start of MODEL   17
    1    H1   GLU   1           H1       GLU   1  24.746  26.142  31.094
    2    HA   GLU   1           HA       GLU   1  24.358  25.382  33.571
    3    HB2  GLU   1           HB2      GLU   1  24.216  28.373  32.871
    4    HB3  GLU   1           HB1      GLU   1  24.926  27.781  34.345
    5    HG2  GLU   1           HG2      GLU   1  26.829  27.975  33.501
    6    HG3  GLU   1           HG1      GLU   1  26.451  26.333  32.935
    7    H    DVA   2           H        DVA   2  21.928  27.064  31.838
    8    HA   DVA   2           HA       DVA   2  20.012  27.042  34.092
    9    HB   DVA   2           HB       DVA   2  19.346  27.297  31.224
   10   HG11  DVA   2          1HG1      DVA   2  19.250  24.807  33.007
   11   HG12  DVA   2          2HG1      DVA   2  20.223  25.065  31.514
   12   HG13  DVA   2          3HG1      DVA   2  18.550  25.009  31.308
   13   HG21  DVA   2          1HG2      DVA   2  17.663  27.178  33.698
   14   HG22  DVA   2          2HG2      DVA   2  17.133  26.408  32.120
   15   HG23  DVA   2          3HG2      DVA   2  17.566  28.153  32.235
   16    H    ASP   3           H        ASP   3  21.022  28.837  31.224
   17    HA   ASP   3           HA       ASP   3  21.483  31.353  32.274
   18    HB2  ASP   3           HB2      ASP   3  20.528  30.833  29.587
   19    HB3  ASP   3           HB1      ASP   3  21.402  32.244  29.988
   20    HA   PRO   4           HA       PRO   4  17.600  33.398  32.986
   21    HB2  PRO   4           HB2      PRO   4  19.351  35.776  32.138
   22    HB3  PRO   4           HB1      PRO   4  17.992  35.732  33.347
   23    HG2  PRO   4           HG2      PRO   4  20.628  35.495  33.909
   24    HG3  PRO   4           HG1      PRO   4  19.431  34.392  34.759
   25    HD2  PRO   4           HD2      PRO   4  21.361  33.703  32.592
   26    HD3  PRO   4           HD1      PRO   4  20.679  32.743  33.897
   27    H    DGL   5           H        DGU   5  15.874  33.875  32.026
   28    HA   DGL   5           HA       DGU   5  15.393  34.732  29.482
   29    HB2  DGL   5           HB1      DGU   5  14.243  32.484  31.272
   30    HB3  DGL   5           HB2      DGU   5  13.444  32.652  29.757
   31    HG2  DGL   5           HG1      DGU   5  13.631  34.909  31.847
   32    HG3  DGL   5           HG2      DGU   5  12.423  33.740  31.708
   33    H    DHI   6           H        DHI   6  17.130  31.931  29.978
   34    HA   DHI   6           HA       DHI   6  16.344  30.721  27.382
   35    HB2  DHI   6           HB1      DHI   6  17.154  29.416  30.048
   36    HB3  DHI   6           HB2      DHI   6  17.080  28.490  28.671
   37    HD1  DHI   6           HD1      DHI   6  14.456  28.252  27.553
   38    HD2  DHI   6           HD2      DHI   6  15.097  29.953  31.336
   39    HE1  DHI   6           HE1      DHI   6  12.216  28.024  28.915
   40    HE2  DHI   6           HE2      DHI   6  12.564  29.108  31.148
   41    HA   DPR   7           HA       DPR   7  21.079  31.849  27.482
   42    HB2  DPR   7           HB1      DPR   7  20.657  32.904  24.820
   43    HB3  DPR   7           HB2      DPR   7  21.177  33.837  26.274
   44    HG2  DPR   7           HG1      DPR   7  18.706  33.948  24.856
   45    HG3  DPR   7           HG2      DPR   7  19.193  34.707  26.335
   46    HD2  DPR   7           HD1      DPR   7  17.364  32.424  26.074
   47    HD3  DPR   7           HD2      DPR   7  17.755  33.399  27.547
   48    H    ASN   8           H        ASN   8  22.329  30.537  26.785
   49    HA   ASN   8           HA       ASN   8  22.105  29.088  24.246
   50    HB2  ASN   8           HB2      ASN   8  24.364  29.259  26.268
   51    HB3  ASN   8           HB1      ASN   8  24.467  28.294  24.951
   52   HD21  ASN   8          1HD2      ASN   8  23.625  29.686  22.696
   53   HD22  ASN   8          2HD2      ASN   8  24.737  31.034  22.508
   54    H    DAL   9           H        DAL   9  21.261  28.431  27.445
   55    HA   DAL   9           HA       DAL   9  20.885  25.479  26.989
   56    HB1  DAL   9           HB1      DAL   9  19.259  25.819  28.804
   57    HB2  DAL   9           HB2      DAL   9  19.061  26.949  27.417
   58    HB3  DAL   9           HB3      DAL   9  19.803  27.508  28.940
   59    HA   DPR  10           HA       DPR  10  24.518  24.833  29.490
   60    HB2  DPR  10           HB1      DPR  10  24.232  22.543  30.532
   61    HB3  DPR  10           HB2      DPR  10  24.352  22.785  28.721
   62    HG2  DPR  10           HG1      DPR  10  21.751  22.060  30.144
   63    HG3  DPR  10           HG2      DPR  10  22.409  21.499  28.642
   64    HD2  DPR  10           HD1      DPR  10  20.723  23.718  28.848
   65    HD3  DPR  10           HD2      DPR  10  21.747  23.520  27.450
  Start of MODEL   18
    1    H1   GLU   1           H1       GLU   1  24.736  25.095  31.878
    2    HA   GLU   1           HA       GLU   1  23.395  24.557  33.915
    3    HB2  GLU   1           HB2      GLU   1  25.197  27.050  33.957
    4    HB3  GLU   1           HB1      GLU   1  24.554  26.205  35.348
    5    HG2  GLU   1           HG2      GLU   1  26.804  25.360  35.082
    6    HG3  GLU   1           HG1      GLU   1  25.709  24.074  34.532
    7    H    DVA   2           H        DVA   2  22.331  27.378  32.305
    8    HA   DVA   2           HA       DVA   2  20.414  27.799  34.517
    9    HB   DVA   2           HB       DVA   2  18.420  27.838  33.035
   10   HG11  DVA   2          1HG1      DVA   2  20.201  26.495  31.007
   11   HG12  DVA   2          2HG1      DVA   2  19.356  28.084  30.818
   12   HG13  DVA   2          3HG1      DVA   2  18.502  26.515  30.946
   13   HG21  DVA   2          1HG2      DVA   2  18.966  26.003  34.605
   14   HG22  DVA   2          2HG2      DVA   2  19.872  25.266  33.271
   15   HG23  DVA   2          3HG2      DVA   2  18.035  25.562  33.144
   16    H    ASP   3           H        ASP   3  21.297  28.995  31.313
   17    HA   ASP   3           HA       ASP   3  21.699  31.634  32.142
   18    HB2  ASP   3           HB2      ASP   3  20.484  31.162  29.476
   19    HB3  ASP   3           HB1      ASP   3  21.807  32.265  29.905
   20    HA   PRO   4           HA       PRO   4  17.848  33.257  33.246
   21    HB2  PRO   4           HB2      PRO   4  18.779  35.833  32.128
   22    HB3  PRO   4           HB1      PRO   4  17.913  35.471  33.620
   23    HG2  PRO   4           HG2      PRO   4  20.625  35.834  33.552
   24    HG3  PRO   4           HG1      PRO   4  19.965  34.574  34.666
   25    HD2  PRO   4           HD2      PRO   4  21.320  34.327  31.983
   26    HD3  PRO   4           HD1      PRO   4  21.339  33.231  33.395
   27    H    DGL   5           H        DGU   5  15.986  32.754  32.076
   28    HA   DGL   5           HA       DGU   5  15.420  34.407  29.795
   29    HB2  DGL   5           HB1      DGU   5  13.781  33.705  31.390
   30    HB3  DGL   5           HB2      DGU   5  13.898  32.056  30.960
   31    HG2  DGL   5           HG1      DGU   5  11.769  32.840  29.971
   32    HG3  DGL   5           HG2      DGU   5  12.826  32.467  28.712
   33    H    DHI   6           H        DHI   6  16.948  31.282  29.978
   34    HA   DHI   6           HA       DHI   6  16.263  31.100  27.118
   35    HB2  DHI   6           HB1      DHI   6  16.981  29.015  29.155
   36    HB3  DHI   6           HB2      DHI   6  16.868  28.567  27.509
   37    HD1  DHI   6           HD1      DHI   6  14.643  28.522  26.212
   38    HD2  DHI   6           HD2      DHI   6  14.308  29.636  30.245
   39    HE1  DHI   6           HE1      DHI   6  12.066  29.100  26.698
   40    HE2  DHI   6           HE2      DHI   6  11.970  29.245  29.200
   41    HA   DPR   7           HA       DPR   7  20.829  31.984  27.244
   42    HB2  DPR   7           HB1      DPR   7  21.217  33.477  25.050
   43    HB3  DPR   7           HB2      DPR   7  20.671  34.048  26.612
   44    HG2  DPR   7           HG1      DPR   7  18.769  33.312  24.366
   45    HG3  DPR   7           HG2      DPR   7  18.856  34.897  25.354
   46    HD2  DPR   7           HD1      DPR   7  17.204  32.787  25.913
   47    HD3  DPR   7           HD2      DPR   7  17.869  33.890  27.151
   48    H    ASN   8           H        ASN   8  22.083  30.399  26.501
   49    HA   ASN   8           HA       ASN   8  21.618  29.052  23.973
   50    HB2  ASN   8           HB2      ASN   8  24.155  29.997  25.459
   51    HB3  ASN   8           HB1      ASN   8  24.233  28.919  24.085
   52   HD21  ASN   8          1HD2      ASN   8  22.978  29.985  22.145
   53   HD22  ASN   8          2HD2      ASN   8  23.071  31.733  22.010
   54    H    DAL   9           H        DAL   9  21.548  28.489  27.303
   55    HA   DAL   9           HA       DAL   9  21.474  25.612  26.819
   56    HB1  DAL   9           HB1      DAL   9  19.717  27.575  28.442
   57    HB2  DAL   9           HB2      DAL   9  19.500  25.743  28.492
   58    HB3  DAL   9           HB3      DAL   9  19.374  26.668  26.922
   59    HA   DPR  10           HA       DPR  10  24.512  25.139  29.790
   60    HB2  DPR  10           HB1      DPR  10  24.028  22.513  30.613
   61    HB3  DPR  10           HB2      DPR  10  24.769  22.850  29.134
   62    HG2  DPR  10           HG1      DPR  10  21.848  22.301  29.788
   63    HG3  DPR  10           HG2      DPR  10  22.867  21.654  28.338
   64    HD2  DPR  10           HD1      DPR  10  21.038  23.665  28.123
   65    HD3  DPR  10           HD2      DPR  10  22.549  23.735  27.305
  Start of MODEL   19
    1    H1   GLU   1           H1       GLU   1  24.723  26.536  31.624
    2    HA   GLU   1           HA       GLU   1  23.365  25.063  33.852
    3    HB2  GLU   1           HB2      GLU   1  25.832  25.848  33.731
    4    HB3  GLU   1           HB1      GLU   1  25.128  27.454  34.241
    5    HG2  GLU   1           HG2      GLU   1  24.162  26.470  36.170
    6    HG3  GLU   1           HG1      GLU   1  24.569  24.819  35.709
    7    H    DVA   2           H        DVA   2  21.185  25.846  32.749
    8    HA   DVA   2           HA       DVA   2  19.948  27.184  34.818
    9    HB   DVA   2           HB       DVA   2  18.073  27.298  33.529
   10   HG11  DVA   2          1HG1      DVA   2  18.853  27.486  31.179
   11   HG12  DVA   2          2HG1      DVA   2  18.316  25.774  31.384
   12   HG13  DVA   2          3HG1      DVA   2  20.022  26.097  31.336
   13   HG21  DVA   2          1HG2      DVA   2  17.746  24.851  33.459
   14   HG22  DVA   2          2HG2      DVA   2  18.601  25.325  34.847
   15   HG23  DVA   2          3HG2      DVA   2  19.438  24.529  33.549
   16    H    ASP   3           H        ASP   3  21.237  28.661  31.864
   17    HA   ASP   3           HA       ASP   3  21.608  31.128  32.819
   18    HB2  ASP   3           HB2      ASP   3  22.814  30.403  30.877
   19    HB3  ASP   3           HB1      ASP   3  21.363  30.229  30.003
   20    HA   PRO   4           HA       PRO   4  17.524  32.665  33.336
   21    HB2  PRO   4           HB2      PRO   4  18.798  35.422  33.352
   22    HB3  PRO   4           HB1      PRO   4  17.470  34.757  34.308
   23    HG2  PRO   4           HG2      PRO   4  20.099  34.620  35.301
   24    HG3  PRO   4           HG1      PRO   4  18.955  33.360  35.581
   25    HD2  PRO   4           HD2      PRO   4  21.230  33.381  33.648
   26    HD3  PRO   4           HD1      PRO   4  20.445  31.995  34.485
   27    H    DGL   5           H        DGU   5  15.985  33.225  31.908
   28    HA   DGL   5           HA       DGU   5  16.408  34.724  29.575
   29    HB2  DGL   5           HB1      DGU   5  14.086  33.177  30.766
   30    HB3  DGL   5           HB2      DGU   5  13.881  34.102  29.281
   31    HG2  DGL   5           HG1      DGU   5  14.623  36.204  30.618
   32    HG3  DGL   5           HG2      DGU   5  14.720  35.258  32.034
   33    H    DHI   6           H        DHI   6  17.635  31.771  29.819
   34    HA   DHI   6           HA       DHI   6  16.361  30.599  27.407
   35    HB2  DHI   6           HB1      DHI   6  17.966  29.208  29.484
   36    HB3  DHI   6           HB2      DHI   6  16.914  28.530  28.232
   37    HD1  DHI   6           HD1      DHI   6  14.270  28.966  28.227
   38    HD2  DHI   6           HD2      DHI   6  16.410  30.124  31.651
   39    HE1  DHI   6           HE1      DHI   6  12.517  29.402  30.040
   40    HE2  DHI   6           HE2      DHI   6  13.844  29.860  32.212
   41    HA   DPR   7           HA       DPR   7  20.522  32.117  26.235
   42    HB2  DPR   7           HB1      DPR   7  20.064  32.415  23.465
   43    HB3  DPR   7           HB2      DPR   7  19.874  33.711  24.663
   44    HG2  DPR   7           HG1      DPR   7  17.772  31.872  23.468
   45    HG3  DPR   7           HG2      DPR   7  17.823  33.654  23.901
   46    HD2  DPR   7           HD1      DPR   7  16.649  31.689  25.465
   47    HD3  DPR   7           HD2      DPR   7  17.348  33.256  26.133
   48    H    ASN   8           H        ASN   8  22.160  30.937  25.688
   49    HA   ASN   8           HA       ASN   8  21.961  28.778  23.737
   50    HB2  ASN   8           HB2      ASN   8  23.977  30.469  24.437
   51    HB3  ASN   8           HB1      ASN   8  24.481  29.026  25.213
   52   HD21  ASN   8          1HD2      ASN   8  23.260  30.216  22.058
   53   HD22  ASN   8          2HD2      ASN   8  24.084  29.099  21.034
   54    H    DAL   9           H        DAL   9  20.714  28.661  26.837
   55    HA   DAL   9           HA       DAL   9  21.067  25.791  26.942
   56    HB1  DAL   9           HB1      DAL   9  19.324  26.113  28.672
   57    HB2  DAL   9           HB2      DAL   9  18.948  27.019  27.288
   58    HB3  DAL   9           HB3      DAL   9  19.687  27.909  28.655
   59    HA   DPR  10           HA       DPR  10  24.449  25.786  29.639
   60    HB2  DPR  10           HB1      DPR  10  24.586  23.293  30.259
   61    HB3  DPR  10           HB2      DPR  10  24.795  23.906  28.567
   62    HG2  DPR  10           HG1      DPR  10  22.350  22.507  29.708
   63    HG3  DPR  10           HG2      DPR  10  23.154  22.097  28.175
   64    HD2  DPR  10           HD1      DPR  10  21.060  23.861  28.267
   65    HD3  DPR  10           HD2      DPR  10  22.572  24.064  27.233
  Start of MODEL   20
    1    H1   GLU   1           H1       GLU   1  24.597  26.900  32.771
    2    HA   GLU   1           HA       GLU   1  23.376  24.320  33.517
    3    HB2  GLU   1           HB2      GLU   1  25.110  25.182  34.567
    4    HB3  GLU   1           HB1      GLU   1  24.410  26.661  34.989
    5    HG2  GLU   1           HG2      GLU   1  22.909  25.426  36.625
    6    HG3  GLU   1           HG1      GLU   1  23.658  23.891  36.118
    7    H    DVA   2           H        DVA   2  21.891  27.162  32.375
    8    HA   DVA   2           HA       DVA   2  19.523  26.903  34.064
    9    HB   DVA   2           HB       DVA   2  19.113  26.891  31.151
   10   HG11  DVA   2          1HG1      DVA   2  20.503  24.870  31.690
   11   HG12  DVA   2          2HG1      DVA   2  18.891  24.508  30.925
   12   HG13  DVA   2          3HG1      DVA   2  19.310  24.286  32.649
   13   HG21  DVA   2          1HG2      DVA   2  16.967  25.689  31.951
   14   HG22  DVA   2          2HG2      DVA   2  17.094  27.371  32.034
   15   HG23  DVA   2          3HG2      DVA   2  17.455  26.463  33.556
   16    H    ASP   3           H        ASP   3  21.103  28.622  31.383
   17    HA   ASP   3           HA       ASP   3  21.680  30.715  32.882
   18    HB2  ASP   3           HB2      ASP   3  22.936  30.322  31.073
   19    HB3  ASP   3           HB1      ASP   3  21.571  30.237  29.944
   20    HA   PRO   4           HA       PRO   4  17.494  32.378  33.202
   21    HB2  PRO   4           HB2      PRO   4  18.846  34.939  33.943
   22    HB3  PRO   4           HB1      PRO   4  17.445  34.160  34.658
   23    HG2  PRO   4           HG2      PRO   4  19.923  33.826  35.752
   24    HG3  PRO   4           HG1      PRO   4  18.688  32.495  35.766
   25    HD2  PRO   4           HD2      PRO   4  21.181  32.733  34.198
   26    HD3  PRO   4           HD1      PRO   4  20.221  31.319  34.688
   27    H    DGL   5           H        DGU   5  16.035  33.119  31.753
   28    HA   DGL   5           HA       DGU   5  16.991  34.926  29.626
   29    HB2  DGL   5           HB1      DGU   5  14.384  34.099  30.826
   30    HB3  DGL   5           HB2      DGU   5  14.450  34.984  29.198
   31    HG2  DGL   5           HG1      DGU   5  15.572  36.871  30.282
   32    HG3  DGL   5           HG2      DGU   5  15.279  36.007  31.855
   33    H    DHI   6           H        DHI   6  17.663  31.883  29.754
   34    HA   DHI   6           HA       DHI   6  16.163  30.836  27.493
   35    HB2  DHI   6           HB1      DHI   6  17.602  29.453  29.777
   36    HB3  DHI   6           HB2      DHI   6  16.987  28.738  28.467
   37    HD1  DHI   6           HD1      DHI   6  14.059  29.252  28.192
   38    HD2  DHI   6           HD2      DHI   6  15.821  30.492  31.799
   39    HE1  DHI   6           HE1      DHI   6  12.235  29.545  29.906
   40    HE2  DHI   6           HE2      DHI   6  13.349  30.224  32.034
   41    HA   DPR   7           HA       DPR   7  20.525  31.801  25.976
   42    HB2  DPR   7           HB1      DPR   7  19.562  31.993  23.360
   43    HB3  DPR   7           HB2      DPR   7  20.039  33.396  24.331
   44    HG2  DPR   7           HG1      DPR   7  17.345  32.257  23.718
   45    HG3  DPR   7           HG2      DPR   7  17.821  33.968  24.098
   46    HD2  DPR   7           HD1      DPR   7  16.543  32.408  25.887
   47    HD3  DPR   7           HD2      DPR   7  18.008  33.433  26.433
   48    H    ASN   8           H        ASN   8  21.984  30.363  25.344
   49    HA   ASN   8           HA       ASN   8  21.390  28.137  23.586
   50    HB2  ASN   8           HB2      ASN   8  23.981  28.740  25.126
   51    HB3  ASN   8           HB1      ASN   8  23.691  27.721  23.810
   52   HD21  ASN   8          1HD2      ASN   8  25.187  30.387  24.188
   53   HD22  ASN   8          2HD2      ASN   8  24.750  31.264  22.733
   54    H    DAL   9           H        DAL   9  21.498  28.677  27.097
   55    HA   DAL   9           HA       DAL   9  21.427  25.738  27.515
   56    HB1  DAL   9           HB1      DAL   9  19.443  27.633  28.618
   57    HB2  DAL   9           HB2      DAL   9  19.657  25.937  29.077
   58    HB3  DAL   9           HB3      DAL   9  19.158  26.356  27.426
   59    HA   DPR  10           HA       DPR  10  24.170  27.611  30.566
   60    HB2  DPR  10           HB1      DPR  10  26.273  25.967  30.288
   61    HB3  DPR  10           HB2      DPR  10  26.040  27.611  29.456
   62    HG2  DPR  10           HG1      DPR  10  25.724  24.750  28.535
   63    HG3  DPR  10           HG2      DPR  10  26.433  26.027  27.631
   64    HD2  DPR  10           HD1      DPR  10  23.648  25.190  27.466
   65    HD3  DPR  10           HD2      DPR  10  24.130  26.829  27.044