*HEADER    ANTIBIOTIC                              26-MAR-20   6YFY              
*TITLE     SOLID-STATE NMR STRUCTURE OF THE D-ARG4,L10-TEIXOBACTIN - LIPID II    
*TITLE    2 COMPLEX IN LIPID BILAYERS                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: D-ARG4,LEU10-TEIXOBACTIN;                                  
*COMPND   3 CHAIN: A, B, E, F;                                                   
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES;                                                       
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: LIPID II;                                                  
*COMPND   8 CHAIN: C, D, G, H                                                    
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ELEFTHERIA TERRAE;                              
*SOURCE   4 ORGANISM_TAXID: 1597781;                                             
*SOURCE   5 MOL_ID: 2;                                                           
*SOURCE   6 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS SIMULANS;                        
*SOURCE   7 ORGANISM_TAXID: 1286                                                 
*KEYWDS    TEIXOBACTIN LIPID II COMPLEX ANTIMICROBIAL PEPTIDE, ANTIBIOTIC        
*EXPDTA    SOLID-STATE NMR                                                       
*NUMMDL    26                                                                    
*AUTHOR    M.H.WEINGARTH,R.SHUKLA                                                
*REVDAT   2   15-NOV-23 6YFY    1
*REVDAT   1   10-JUN-20 6YFY    0                                                
# Restraints file 1: Restraints.tbl

!>>>>>>>>>>>>>>>>>>>>>>
!<<<<<<<<<<<<<<<<<<<<<<

! TORSIONAL ANGLES

!<<<<<<<<<<<<<<<<<<<<<<


! Phi torsional restraints 
!! I2
  assign (resid  1  and name c and segid A) (resid  2  and name n and segid A)
        (resid  2  and name ca and segid A) (resid  2  and name c and segid A)   1.0  -104.45 20.00 2
!! S3
  assign (resid  2  and name c and segid A) (resid  3  and name n and segid A)
        (resid  3  and name ca and segid A) (resid  3  and name c and segid A)   1.0  -128.37 20.00 2
!! DAR4
  assign (resid  3  and name c and segid A) (resid  4  and name n and segid A)
        (resid  4  and name ca and segid A) (resid  4  and name c and segid A)   1.0  127.15 20.00 2
!! 28J5
  assign (resid  4  and name c and segid A) (resid  5  and name n and segid A)
        (resid  5  and name ca and segid A) (resid  5  and name c and segid A)   1.0  127.12 20.00 2
!! I6
  assign (resid  5  and name c and segid A) (resid  6  and name n and segid A)
        (resid  6  and name ca and segid A) (resid  6  and name c and segid A)   1.0  -133.31 20.00 2
!! S7
  assign (resid  6  and name c and segid A) (resid  7  and name n and segid A)
        (resid  7  and name ca and segid A) (resid  7  and name c and segid A)   1.0  -131.52 20.00 2
 
! Psi torsional restraints
!! I2
 assign (resid 2 and name n and segid A) (resid 2 and name ca and segid A)
        (resid 2 and name c and segid A) (resid 3 and name n and segid A)   1.0  129.77 20.0 2
!! S3
 assign (resid 3 and name n and segid A) (resid 3 and name ca and segid A)
        (resid 3 and name c and segid A) (resid 4 and name n and segid A)   1.0  161.79 20.0 2
!! DAR4
 assign (resid 4 and name n and segid A) (resid 4 and name ca and segid A)
        (resid 4 and name c and segid A) (resid 5 and name n and segid A)   1.0  -140.04 20.0 2
!! 28J5
 assign (resid 5 and name n and segid A) (resid 5 and name ca and segid A)
        (resid 5 and name c and segid A) (resid 6 and name n and segid A)   1.0  -160.1 20.0 2
!! I6
 assign (resid 6 and name n and segid A) (resid 6 and name ca and segid A)
        (resid 6 and name c and segid A) (resid 7 and name n and segid A)   1.0  132.80 20.0 2
!! S7
 assign (resid 7 and name n and segid A) (resid 7 and name ca and segid A)
        (resid 7 and name c and segid A) (resid 8 and name n and segid A)   1.0  173.31 20.0 2


! SEGID B TEIXO-B

! Phi torsional restraints
!! I2
  assign (resid  1  and name c and segid B) (resid  2  and name n and segid B)
        (resid  2  and name ca and segid B) (resid  2  and name c and segid B)   1.0  -104.45 20.00 2
!! S3
  assign (resid  2  and name c and segid B) (resid  3  and name n and segid B)
        (resid  3  and name ca and segid B) (resid  3  and name c and segid B)   1.0  -128.37 20.00 2
!! DAR4
  assign (resid  3  and name c and segid B) (resid  4  and name n and segid B)
        (resid  4  and name ca and segid B) (resid  4  and name c and segid B)   1.0  127.15 20.00 2
!! 28J5
  assign (resid  4  and name c and segid B) (resid  5  and name n and segid B)
        (resid  5  and name ca and segid B) (resid  5  and name c and segid B)   1.0  127.12 20.00 2
!! I6
  assign (resid  5  and name c and segid B) (resid  6  and name n and segid B)
        (resid  6  and name ca and segid B) (resid  6  and name c and segid B)   1.0  -133.31 20.00 2
!! S7
  assign (resid  6  and name c and segid B) (resid  7  and name n and segid B)
        (resid  7  and name ca and segid B) (resid  7  and name c and segid B)   1.0  -131.52 20.00 2

! Psi torsional restraints
!! I2
 assign (resid 2 and name n and segid B) (resid 2 and name ca and segid B)
        (resid 2 and name c and segid B) (resid 3 and name n and segid B)   1.0  129.77 20.0 2
!! S3
 assign (resid 3 and name n and segid B) (resid 3 and name ca and segid B)
        (resid 3 and name c and segid B) (resid 4 and name n and segid B)   1.0  161.79 20.0 2
!! DAR4
 assign (resid 4 and name n and segid B) (resid 4 and name ca and segid B)
        (resid 4 and name c and segid B) (resid 5 and name n and segid B)   1.0  -140.04 20.0 2
!! 28J5
 assign (resid 5 and name n and segid B) (resid 5 and name ca and segid B)
        (resid 5 and name c and segid B) (resid 6 and name n and segid B)   1.0  -160.1 20.0 2
!! I6
 assign (resid 6 and name n and segid B) (resid 6 and name ca and segid B)
        (resid 6 and name c and segid B) (resid 7 and name n and segid B)   1.0  132.80 20.0 2
!! S7
 assign (resid 7 and name n and segid B) (resid 7 and name ca and segid B)
        (resid 7 and name c and segid B) (resid 8 and name n and segid B)   1.0  173.31 20.0 2


! segid E TEIXO-C


! Phi torsional restraints
!! I2
  assign (resid  1  and name c and segid E) (resid  2  and name n and segid E)
        (resid  2  and name ca and segid E) (resid  2  and name c and segid E)   1.0  -104.45 20.00 2
!! S3
  assign (resid  2  and name c and segid E) (resid  3  and name n and segid E)
        (resid  3  and name ca and segid E) (resid  3  and name c and segid E)   1.0  -128.37 20.00 2
!! DAR4
  assign (resid  3  and name c and segid E) (resid  4  and name n and segid E)
        (resid  4  and name ca and segid E) (resid  4  and name c and segid E)   1.0  127.15 20.00 2
!! 28J5
  assign (resid  4  and name c and segid E) (resid  5  and name n and segid E)
        (resid  5  and name ca and segid E) (resid  5  and name c and segid E)   1.0  127.12 20.00 2
!! I6
  assign (resid  5  and name c and segid E) (resid  6  and name n and segid E)
        (resid  6  and name ca and segid E) (resid  6  and name c and segid E)   1.0  -133.31 20.00 2
!! S7
  assign (resid  6  and name c and segid E) (resid  7  and name n and segid E)
        (resid  7  and name ca and segid E) (resid  7  and name c and segid E)   1.0  -131.52 20.00 2

! Psi torsional restraints
!! I2
 assign (resid 2 and name n and segid E) (resid 2 and name ca and segid E)
        (resid 2 and name c and segid E) (resid 3 and name n and segid E)   1.0  129.77 20.0 2
!! S3
 assign (resid 3 and name n and segid E) (resid 3 and name ca and segid E)
        (resid 3 and name c and segid E) (resid 4 and name n and segid E)   1.0  161.79 20.0 2
!! DAR4
 assign (resid 4 and name n and segid E) (resid 4 and name ca and segid E)
        (resid 4 and name c and segid E) (resid 5 and name n and segid E)   1.0  -140.04 20.0 2
!! 28J5
 assign (resid 5 and name n and segid E) (resid 5 and name ca and segid E)
        (resid 5 and name c and segid E) (resid 6 and name n and segid E)   1.0  -160.1 20.0 2
!! I6
 assign (resid 6 and name n and segid E) (resid 6 and name ca and segid E)
        (resid 6 and name c and segid E) (resid 7 and name n and segid E)   1.0  132.80 20.0 2
!! S7
 assign (resid 7 and name n and segid E) (resid 7 and name ca and segid E)
        (resid 7 and name c and segid E) (resid 8 and name n and segid E)   1.0  173.31 20.0 2


! segid F TEIXO-D

! Phi torsional restraints
!! I2
  assign (resid  1  and name c and segid F) (resid  2  and name n and segid F)
        (resid  2  and name ca and segid F) (resid  2  and name c and segid F)   1.0  -104.45 20.00 2
!! S3
  assign (resid  2  and name c and segid F) (resid  3  and name n and segid F)
        (resid  3  and name ca and segid F) (resid  3  and name c and segid F)   1.0  -128.37 20.00 2
!! DAR4
  assign (resid  3  and name c and segid F) (resid  4  and name n and segid F)
        (resid  4  and name ca and segid F) (resid  4  and name c and segid F)   1.0  127.15 20.00 2
!! 28J5
  assign (resid  4  and name c and segid F) (resid  5  and name n and segid F)
        (resid  5  and name ca and segid F) (resid  5  and name c and segid F)   1.0  127.12 20.00 2
!! I6
  assign (resid  5  and name c and segid F) (resid  6  and name n and segid F)
        (resid  6  and name ca and segid F) (resid  6  and name c and segid F)   1.0  -133.31 20.00 2
!! S7
  assign (resid  6  and name c and segid F) (resid  7  and name n and segid F)
        (resid  7  and name ca and segid F) (resid  7  and name c and segid F)   1.0  -131.52 20.00 2

! Psi torsional restraints
!! I2
 assign (resid 2 and name n and segid F) (resid 2 and name ca and segid F)
        (resid 2 and name c and segid F) (resid 3 and name n and segid F)   1.0  129.77 20.0 2
!! S3
 assign (resid 3 and name n and segid F) (resid 3 and name ca and segid F)
        (resid 3 and name c and segid F) (resid 4 and name n and segid F)   1.0  161.79 20.0 2
!! DAR4
 assign (resid 4 and name n and segid F) (resid 4 and name ca and segid F)
        (resid 4 and name c and segid F) (resid 5 and name n and segid F)   1.0  -140.04 20.0 2
!! 28J5
 assign (resid 5 and name n and segid F) (resid 5 and name ca and segid F)
        (resid 5 and name c and segid F) (resid 6 and name n and segid F)   1.0  -160.1 20.0 2
!! I6
 assign (resid 6 and name n and segid F) (resid 6 and name ca and segid F)
        (resid 6 and name c and segid F) (resid 7 and name n and segid F)   1.0  132.80 20.0 2
!! S7
 assign (resid 7 and name n and segid F) (resid 7 and name ca and segid F)
        (resid 7 and name c and segid F) (resid 8 and name n and segid F)   1.0  173.31 20.0 2






!>>>>>>>>>>>>>>>>>>>>>>
!<<<<<<<<<<<<<<<<<<<<<<

! DISTANCE restraints

! 1. Intramolecular teixobactin and intermolecular teixobactin - teixobactin Distance restraints 

!<<<<<<<<<<<<<<<<<<<<<<



!Teixo A / TeixoB
!unambig inter
assign (resid 2 and name CA and segid A) (resid 6 and name CB and segid B) 5.0 3.0 2.0
assign (resid 2 and name CA and segid A) (resid 7 and name CB and segid B) 5.0 3.0 2.0
assign (resid 2 and name CA and segid A) (resid 7 and name CA and segid B) 5.0 3.0 2.0
assign (resid 2 and name CB and segid A) (resid 7 and name CA and segid B) 5.0 3.0 2.0
assign (resid 3 and name CB and segid A) (resid 6 and name CB and segid B) 6.0 3.0 2.0
assign (resid 3 and name CB and segid A) (resid 7 and name CB and segid B) 5.0 3.0 2.0
assign (resid 3 and name CB and segid A) (resid 7 and name CA and segid B) 6.0 3.0 2.0
assign (resid 2 and name CG2 and segid A) (resid 7 and name CB and segid B) 6.0 3.0 2.5
assign (resid 2 and name CG2 and segid A) (resid 6 and name CA and segid B) 5.0 3.0 2.0

assign (resid 2 and name CA and segid B) (resid 6 and name CB and segid A) 5.0 3.0 2.0
assign (resid 2 and name CA and segid B) (resid 7 and name CB and segid A) 5.0 3.0 2.0
assign (resid 2 and name CA and segid B) (resid 7 and name CA and segid A) 5.0 3.0 2.0
assign (resid 2 and name CB and segid B) (resid 7 and name CA and segid A) 5.0 3.0 2.0
assign (resid 3 and name CB and segid B) (resid 6 and name CB and segid A) 6.0 3.0 2.0
assign (resid 3 and name CB and segid B) (resid 7 and name CB and segid A) 5.0 3.0 2.0
assign (resid 3 and name CB and segid B) (resid 7 and name CA and segid A) 6.0 3.0 2.0
assign (resid 2 and name CG2 and segid B) (resid 7 and name CB and segid A) 6.0 3.0 2.5
assign (resid 2 and name CG2 and segid B) (resid 6 and name CA and segid A) 5.0 3.0 2.0

!assign (resid 2 and name CG2 and segid A) (resid 6 and name C and segid B) 5.0 3.0 2.0 ! 
!assign (resid 3 and name CB and segid A) (resid 6 and name C and segid B) 6.0 3.0 1.5 ! 
!assign (resid 3 and name CA and segid A) (resid 10 and name CD and segid B) 5.0 3.0 2.0 ! 

! Teixo A
!unambig intra 
assign (resid 7 and name CB and segid A) (resid 9 and name CA and segid A) 6.0 3.0 2.0
or (resid 7 and name CB and segid A) (resid 10 and name CA and segid A)
assign (resid 7 and name CA and segid A) (resid 9 and name CA and segid A) 6.0 3.0 2.0
or (resid 7 and name CA and segid A) (resid 10 and name CA and segid A)
assign (resid 7 and name CA and segid A) (resid 9 and name CA and segid A) 6.0 3.0 2.0
assign (resid 7 and name CA and segid A) (resid 10 and name CD1 and segid A) 6.0 3.0 2.0
assign (resid 7 and name CB and segid A) (resid 10 and name CD1 and segid A) 6.0 3.0 2.0
assign (resid 7 and name CA and segid A) (resid 10 and name CD2 and segid A) 6.0 3.0 2.0 ! weak
assign (resid 7 and name CB and segid A) (resid 10 and name CD2 and segid A) 6.0 3.0 2.0 ! weak

! Teixo B
!unambig intra 
assign (resid 7 and name CB and segid B) (resid 9 and name CA and segid B) 6.0 3.0 2.0
or (resid 7 and name CB and segid B) (resid 10 and name CA and segid B)
assign (resid 7 and name CA and segid B) (resid 9 and name CA and segid B) 6.0 3.0 2.0
or (resid 7 and name CA and segid A) (resid 10 and name CA and segid B)
assign (resid 7 and name CA and segid B) (resid 9 and name CA and segid B) 6.0 3.0 2.0
assign (resid 7 and name CA and segid B) (resid 10 and name CD1 and segid B) 6.0 3.0 2.0
assign (resid 7 and name CB and segid B) (resid 10 and name CD1 and segid B) 6.0 3.0 2.0
assign (resid 7 and name CA and segid B) (resid 10 and name CD2 and segid B) 6.0 3.0 2.0 ! weak
assign (resid 7 and name CB and segid B) (resid 10 and name CD2 and segid B) 6.0 3.0 2.0 ! weak

! ambig Teixo A / TeixoB
assign (resid 2 and name C and segid A) (resid 7 and name CB and segid B) 5.0 3.0 2.0
or (resid 3 and name C and segid A) (resid 7 and name CB and segid B)
assign (resid 2 and name C and segid B) (resid 7 and name CB and segid A) 5.0 3.0 2.0
or (resid 3 and name C and segid B) (resid 7 and name CB and segid A)

assign (resid 2 and name CA and segid A) (resid 6 and name C and segid B) 6.0 3.0 2.0
or (resid 2 and name CA and segid A) (resid 10 and name C and segid B) ! weak
assign (resid 2 and name CA and segid B) (resid 6 and name C and segid A) 6.0 3.0 2.0
or (resid 2 and name CA and segid B) (resid 10 and name C and segid A) ! weak

assign (resid 2 and name C and segid A) (resid 6 and name CD1 and segid B) 6.0 3.0 2.0
or (resid 3 and name C and segid A) (resid 6 and name CD1 and segid B) ! weak
assign (resid 2 and name C and segid B) (resid 6 and name CD1 and segid A) 6.0 3.0 2.0 
or (resid 3 and name C and segid B) (resid 6 and name CD1 and segid A) !

assign (resid 2 and name C and segid A) (resid 6 and name CB and segid B) 6.0 3.0 2.0
or (resid 3 and name C and segid A) (resid 6 and name CB and segid B) ! weak
assign (resid 2 and name C and segid B) (resid 6 and name CB and segid A) 6.0 3.0 2.0
or (resid 3 and name C and segid B) (resid 6 and name CB and segid A) ! weak



! Hydrogen bonding Teixo A and B
assign (resid 3 and name HN and segid A) (resid 7 and name O and segid B) 2.0 0.5 0.3
assign (resid 3 and name O and segid A) (resid 7 and name HN and segid B) 2.0 0.5 0.3
assign (resid 7 and name HN and segid A) (resid 3 and name O and segid B) 2.0 0.5 0.3
assign (resid 7 and name O and segid A) (resid 3 and name HN and segid B) 2.0 0.5 0.3

assign (resid 3 and name HN and segid A) (resid 7 and name O and segid B) 2.0 0.5 0.3
assign (resid 3 and name O and segid A) (resid 7 and name HN and segid B) 2.0 0.5 0.3
assign (resid 7 and name HN and segid A) (resid 3 and name O and segid B) 2.0 0.5 0.3
assign (resid 7 and name O and segid A) (resid 3 and name HN and segid B) 2.0 0.5 0.3

assign (resid 3 and name HN and segid A) (resid 7 and name O and segid B) 2.0 0.5 0.3
assign (resid 3 and name O and segid A) (resid 7 and name HN and segid B) 2.0 0.5 0.3
assign (resid 7 and name HN and segid A) (resid 3 and name O and segid B) 2.0 0.5 0.3
assign (resid 7 and name O and segid A) (resid 3 and name HN and segid B) 2.0 0.5 0.3

assign (resid 5 and name HN and segid A) (resid 5 and name O and segid B) 2.0 0.5 0.3
assign (resid 5 and name O and segid A) (resid 5 and name HN and segid B) 2.0 0.5 0.3
assign (resid 5 and name HN and segid A) (resid 5 and name O and segid B) 2.0 0.5 0.3
assign (resid 5 and name O and segid A) (resid 5 and name HN and segid B) 2.0 0.5 0.3 

assign (resid 5 and name HN and segid A) (resid 5 and name O and segid B) 2.0 0.5 0.3
assign (resid 5 and name O and segid A) (resid 5 and name HN and segid B) 2.0 0.5 0.3
assign (resid 5 and name HN and segid A) (resid 5 and name O and segid B) 2.0 0.5 0.3
assign (resid 5 and name O and segid A) (resid 5 and name HN and segid B) 2.0 0.5 0.3

assign (resid 5 and name HN and segid A) (resid 5 and name O and segid B) 2.0 0.5 0.3
assign (resid 5 and name O and segid A) (resid 5 and name HN and segid B) 2.0 0.5 0.3
assign (resid 5 and name HN and segid A) (resid 5 and name O and segid B) 2.0 0.5 0.3
assign (resid 5 and name O and segid A) (resid 5 and name HN and segid B) 2.0 0.5 0.3

!>>>>>>>>>>>>>>>>>>>>>>>>
!>>>>>>>>>>>>>>>>>>>>>>>>

!C O P Y of A & B to E & F

!>>>>>>>>>>>>>>>>>>>>
!>>>>>>>>>>>>>>>>>>>>>

!Teixo A / TeixoB
!unambig inter
assign (resid 2 and name CA and segid E) (resid 6 and name CB and segid F) 5.0 3.0 2.0
assign (resid 2 and name CA and segid E) (resid 7 and name CB and segid F) 5.0 3.0 2.0
assign (resid 2 and name CA and segid E) (resid 7 and name CA and segid F) 5.0 3.0 2.0
assign (resid 2 and name CB and segid E) (resid 7 and name CA and segid F) 5.0 3.0 2.0
assign (resid 3 and name CB and segid E) (resid 6 and name CB and segid F) 6.0 3.0 2.0
assign (resid 3 and name CB and segid E) (resid 7 and name CB and segid F) 5.0 3.0 2.0
assign (resid 3 and name CB and segid E) (resid 7 and name CA and segid F) 6.0 3.0 2.0
assign (resid 2 and name CG2 and segid E) (resid 7 and name CB and segid F) 6.0 3.0 2.5
assign (resid 2 and name CG2 and segid E) (resid 6 and name CA and segid F) 5.0 3.0 2.0

assign (resid 2 and name CA and segid F) (resid 6 and name CB and segid E) 5.0 3.0 2.0
assign (resid 2 and name CA and segid F) (resid 7 and name CB and segid E) 5.0 3.0 2.0
assign (resid 2 and name CA and segid F) (resid 7 and name CA and segid E) 5.0 3.0 2.0
assign (resid 2 and name CB and segid F) (resid 7 and name CA and segid E) 5.0 3.0 2.0
assign (resid 3 and name CB and segid F) (resid 6 and name CB and segid E) 6.0 3.0 2.0
assign (resid 3 and name CB and segid F) (resid 7 and name CB and segid E) 5.0 3.0 2.0
assign (resid 3 and name CB and segid F) (resid 7 and name CA and segid E) 6.0 3.0 2.0
assign (resid 2 and name CG2 and segid F) (resid 7 and name CB and segid E) 6.0 3.0 2.5
assign (resid 2 and name CG2 and segid F) (resid 6 and name CA and segid E) 5.0 3.0 2.0

!assign (resid 2 and name CG2 and segid E) (resid 6 and name C and segid F) 5.0 3.0 2.0 ! 
!assign (resid 3 and name CB and segid E) (resid 6 and name C and segid F) 6.0 3.0 1.5 ! 
!assign (resid 3 and name CA and segid E) (resid 10 and name CD and segid F) 5.0 3.0 2.0 ! 

! Teixo A
!unambig intra 
assign (resid 7 and name CB and segid E) (resid 9 and name CA and segid E) 6.0 3.0 2.0
or (resid 7 and name CB and segid E) (resid 10 and name CA and segid E)
assign (resid 7 and name CA and segid E) (resid 9 and name CA and segid E) 6.0 3.0 2.0
or (resid 7 and name CA and segid E) (resid 10 and name CA and segid E)
assign (resid 7 and name CA and segid E) (resid 9 and name CA and segid E) 6.0 3.0 2.0
assign (resid 7 and name CA and segid E) (resid 10 and name CD1 and segid E) 6.0 3.0 2.0
assign (resid 7 and name CB and segid E) (resid 10 and name CD1 and segid E) 6.0 3.0 2.0
assign (resid 7 and name CA and segid E) (resid 10 and name CD2 and segid E) 6.0 3.0 2.0 ! weak
assign (resid 7 and name CB and segid E) (resid 10 and name CD2 and segid E) 6.0 3.0 2.0 ! weak

! Teixo B
!unambig intra 
assign (resid 7 and name CB and segid F) (resid 9 and name CA and segid F) 6.0 3.0 2.0
or (resid 7 and name CB and segid F) (resid 10 and name CA and segid F)
assign (resid 7 and name CA and segid F) (resid 9 and name CA and segid F) 6.0 3.0 2.0
or (resid 7 and name CA and segid E) (resid 10 and name CA and segid F)
assign (resid 7 and name CA and segid F) (resid 9 and name CA and segid F) 6.0 3.0 2.0
assign (resid 7 and name CA and segid F) (resid 10 and name CD1 and segid F) 6.0 3.0 2.0
assign (resid 7 and name CB and segid F) (resid 10 and name CD1 and segid F) 6.0 3.0 2.0
assign (resid 7 and name CA and segid F) (resid 10 and name CD2 and segid F) 6.0 3.0 2.0 ! weak
assign (resid 7 and name CB and segid F) (resid 10 and name CD2 and segid F) 6.0 3.0 2.0 ! weak

! ambig Teixo A / TeixoB
assign (resid 2 and name C and segid E) (resid 7 and name CB and segid F) 5.0 3.0 2.0
or (resid 3 and name C and segid E) (resid 7 and name CB and segid F)
assign (resid 2 and name C and segid F) (resid 7 and name CB and segid E) 5.0 3.0 2.0
or (resid 3 and name C and segid F) (resid 7 and name CB and segid E)

assign (resid 2 and name CA and segid E) (resid 6 and name C and segid F) 6.0 3.0 2.0
or (resid 2 and name CA and segid E) (resid 10 and name C and segid F) ! weak
assign (resid 2 and name CA and segid F) (resid 6 and name C and segid E) 6.0 3.0 2.0
or (resid 2 and name CA and segid F) (resid 10 and name C and segid E) ! weak

assign (resid 2 and name C and segid E) (resid 6 and name CD1 and segid F) 6.0 3.0 2.0
or (resid 3 and name C and segid E) (resid 6 and name CD1 and segid F) ! weak
assign (resid 2 and name C and segid F) (resid 6 and name CD1 and segid E) 6.0 3.0 2.0 
or (resid 3 and name C and segid F) (resid 6 and name CD1 and segid E) !

assign (resid 2 and name C and segid E) (resid 6 and name CB and segid F) 6.0 3.0 2.0
or (resid 3 and name C and segid E) (resid 6 and name CB and segid F) ! weak
assign (resid 2 and name C and segid F) (resid 6 and name CB and segid E) 6.0 3.0 2.0
or (resid 3 and name C and segid F) (resid 6 and name CB and segid E) ! weak



! Hydrogen bonding Teixo A and B
assign (resid 3 and name HN and segid E) (resid 7 and name O and segid F) 2.0 0.5 0.3
assign (resid 3 and name O and segid E) (resid 7 and name HN and segid F) 2.0 0.5 0.3
assign (resid 7 and name HN and segid E) (resid 3 and name O and segid F) 2.0 0.5 0.3
assign (resid 7 and name O and segid E) (resid 3 and name HN and segid F) 2.0 0.5 0.3

assign (resid 3 and name HN and segid E) (resid 7 and name O and segid F) 2.0 0.5 0.3
assign (resid 3 and name O and segid E) (resid 7 and name HN and segid F) 2.0 0.5 0.3
assign (resid 7 and name HN and segid E) (resid 3 and name O and segid F) 2.0 0.5 0.3
assign (resid 7 and name O and segid E) (resid 3 and name HN and segid F) 2.0 0.5 0.3

assign (resid 3 and name HN and segid E) (resid 7 and name O and segid F) 2.0 0.5 0.3
assign (resid 3 and name O and segid E) (resid 7 and name HN and segid F) 2.0 0.5 0.3
assign (resid 7 and name HN and segid E) (resid 3 and name O and segid F) 2.0 0.5 0.3
assign (resid 7 and name O and segid E) (resid 3 and name HN and segid F) 2.0 0.5 0.3

assign (resid 5 and name HN and segid E) (resid 5 and name O and segid F) 2.0 0.5 0.3
assign (resid 5 and name O and segid E) (resid 5 and name HN and segid F) 2.0 0.5 0.3
assign (resid 5 and name HN and segid E) (resid 5 and name O and segid F) 2.0 0.5 0.3
assign (resid 5 and name O and segid E) (resid 5 and name HN and segid F) 2.0 0.5 0.3
assign (resid 5 and name HN and segid E) (resid 5 and name O and segid F) 2.0 0.5 0.3
assign (resid 5 and name O and segid E) (resid 5 and name HN and segid F) 2.0 0.5 0.3


!>>>>>>>>>>>>>>>>>>>>>>>>
!>>>>>>>>>>>>>>>>>>>>>>>>

!HBs between B & E

!>>>>>>>>>>>>>>>>>>>>
!>>>>>>>>>>>>>>>>>>>>>

assign (resid 2 and name HN and segid B) (resid 6 and name O and segid E) 2.0 0.5 0.3
assign (resid 2 and name O and segid B) (resid 6 and name HN and segid E) 2.0 0.5 0.3
assign (resid 4 and name HN and segid B) (resid 4 and name O and segid E) 2.0 0.5 0.3
assign (resid 4 and name O and segid B) (resid 4 and name HN and segid E) 2.0 0.5 0.3
assign (resid 6 and name HN and segid B) (resid 2 and name O and segid E) 2.0 0.5 0.3
assign (resid 6 and name O and segid B) (resid 2 and name HN and segid E) 2.0 0.5 0.3

assign (resid 2 and name HN and segid B) (resid 6 and name O and segid E) 2.0 0.5 0.3
assign (resid 2 and name O and segid B) (resid 6 and name HN and segid E) 2.0 0.5 0.3
assign (resid 4 and name HN and segid B) (resid 4 and name O and segid E) 2.0 0.5 0.3
assign (resid 4 and name O and segid B) (resid 4 and name HN and segid E) 2.0 0.5 0.3
assign (resid 6 and name HN and segid B) (resid 2 and name O and segid E) 2.0 0.5 0.3
assign (resid 6 and name O and segid B) (resid 2 and name HN and segid E) 2.0 0.5 0.3

assign (resid 2 and name HN and segid B) (resid 6 and name O and segid E) 2.0 0.5 0.3
assign (resid 2 and name O and segid B) (resid 6 and name HN and segid E) 2.0 0.5 0.3
assign (resid 4 and name HN and segid B) (resid 4 and name O and segid E) 2.0 0.5 0.3
assign (resid 4 and name O and segid B) (resid 4 and name HN and segid E) 2.0 0.5 0.3
assign (resid 6 and name HN and segid B) (resid 2 and name O and segid E) 2.0 0.5 0.3
assign (resid 6 and name O and segid B) (resid 2 and name HN and segid E) 2.0 0.5 0.3













!>>>>>>>>>>>>>>>>>>>>>>
!<<<<<<<<<<<<<<<<<<<<<<

! DISTANCE restraints

! 2. teixobactin - Lipid II distance restraints 

!<<<<<<<<<<<<<<<<<<<<<<





! Lipid II - sugar
!from PARIS 600ms at 950Mhz 
!Unambiguous
assign (resid 7 and name C1 and segid C) (resid 6 and name C2 and segid C) 4.5 3.0 1.5
assign (resid 7 and name C1 and segid C) (resid 6 and name C9 and segid C) 4.5 3.0 1.5
assign (resid 7 and name C2 and segid C) (resid 6 and name C1 and segid C) 4.5 3.0 1.5
assign (resid 7 and name C2 and segid C) (resid 6 and name C6 and segid C) 4.5 3.0 1.5
assign (resid 7 and name C5 and segid C) (resid 6 and name C1 and segid C) 4.5 3.0 1.5
assign (resid 7 and name C5 and segid C) (resid 6 and name C2 and segid C) 4.5 3.0 1.5
assign (resid 7 and name C5 and segid C) (resid 6 and name C6 and segid C) 4.5 3.0 1.5
assign (resid 7 and name C6 and segid C) (resid 6 and name C2 and segid C) 4.5 3.0 1.5

!Ambiguous
assign (resid 7 and name C4 and segid C) (resid 7 and name C1 and segid C) 4.5 3.0 1.5
or (resid 6 and name C4 and segid C) (resid 7 and name C1 and segid C)
assign (resid 7 and name C5 and segid C) (resid 6 and name C11 and segid C) 4.5 3.0 1.5
or (resid 7 and name C5 and segid C) (resid 6 and name C3 and segid C)
assign (resid 7 and name C4 and segid C) (resid 7 and name C8 and segid C) 4.5 3.0 1.5
or (resid 7 and name C4 and segid C) (resid 6 and name C8 and segid C)
or (resid 6 and name C4 and segid C) (resid 7 and name C8 and segid C)
or (resid 6 and name C4 and segid C) (resid 6 and name C8 and segid C)
assign (resid 6 and name C4 and segid C) (resid 6 and name C1 and segid C) 4.5 3.0 1.5
or (resid 7 and name C4 and segid C) (resid 6 and name C1 and segid C)
assign (resid 6 and name C4 and segid C) (resid 6 and name C9 and segid C) 4.5 3.0 1.5
or (resid 7 and name C4 and segid C) (resid 6 and name C9 and segid C)
assign (resid 6 and name C3 and segid C) (resid 7 and name C1 and segid C) 4.5 3.0 1.5
or (resid 6 and name C11 and segid C) (resid 7 and name C1 and segid C)
assign (resid 6 and name C3 and segid C) (resid 7 and name C2 and segid C) 4.5 3.0 1.5
or (resid 6 and name C11 and segid C) (resid 7 and name C2 and segid C)
assign (resid 6 and name C3 and segid C) (resid 7 and name C6 and segid C) 4.5 3.0 1.5
or (resid 6 and name C11 and segid C) (resid 7 and name C6 and segid C)
assign (resid 7 and name C7 and segid C) (resid 6 and name C11 and segid C) 4.5 3.0 1.5
or (resid 7 and name C7 and segid C) (resid 6 and name C3 and segid C)


!Lipid II sugar-pentapeptide contacts
!from PARIS 600ms at 950Mhz 

assign (resid 1 and name CA and segid C) (resid 6 and name C9 and segid C) 4.5 3.0 1.5
assign (resid 1 and name CA and segid C) (resid 6 and name C8 and segid C) 4.5 3.0 1.5
or (resid 1 and name CA and segid C) (resid 7 and name C8 and segid C)

!Teixo-Lipid II contacts
!from PARIS 600ms at 950Mhz 

assign (resid 10 and name CD2 and segid A) (resid 6 and name C1 and segid C) 6.5 5.5 1.5
assign (resid 9 and name CB and segid A) (resid 6 and name C1 and segid C) 6.5 5.5 1.5
assign (resid 10 and name CD2 and segid A) (resid 7 and name C5 and segid C) 7.5 5.5 1.5
assign (resid 9 and name CB and segid A) (resid 6 and name C6 and segid C) 6.5 5.5 1.5
assign (resid 10 and name CD2 and segid A) (resid 6 and name C11 and segid C) 6.5 5.5 1.5
assign (resid 9 and name CA and segid A) (resid 6 and name C1 and segid C) 6.5 5.5 1.5
or  (resid 10 and name CA and segid A) (resid 6 and name C1 and segid C)
assign (resid 9 and name CA and segid A) (resid 6 and name C5 and segid C) 6.5 5.5 1.5
or (resid 10 and name CA and segid A) (resid 6 and name C5 and segid C)
or (resid 9 and name CA and segid A) (resid 7 and name C3 and segid C)
or (resid 10 and name CA and segid A) (resid 7 and name C3 and segid C)
assign (resid 9 and name CA and segid A) (resid 6 and name C6 and segid C) 6.5 5.5 1.5
or (resid 10 and name CA and segid A) (resid 6 and name C6 and segid C)
assign (resid 9 and name CA and segid A) (resid 6 and name C4 and segid C) 6.5 5.5 1.5
or (resid 10 and name CA and segid A) (resid 6 and name C4 and segid C)
or (resid 9 and name CA and segid A) (resid 7 and name C4 and segid C)
or (resid 10 and name CA and segid A) (resid 7 and name C4 and segid C)
assign (resid 9 and name CA and segid A) (resid 6 and name C3 and segid C) 6.5 5.5 1.5
or (resid 10 and name CA and segid A) (resid 6 and name C9 and segid C)
or (resid 9 and name CA and segid A) (resid 6 and name C3 and segid C)
or (resid 10 and name CA and segid A) (resid 6 and name C9 and segid C)
assign (resid 9 and name CB and segid A) (resid 6 and name C3 and segid C) 6.5 5.5 1.5
or (resid 9 and name CB and segid A) (resid 6 and name C9 and segid C)
assign (resid 9 and name CB and segid A) (resid 6 and name C3 and segid C) 6.5 5.5 1.5
or (resid 9 and name CB and segid A) (resid 6 and name C9 and segid C)
assign (resid 9 and name CB and segid A) (resid 6 and name C4 and segid C) 6.5 5.5 1.5
or (resid 9 and name CB and segid A) (resid 7 and name C4 and segid C)
assign (resid 10 and name CD2 and segid A) (resid 6 and name C4 and segid C) 6.5 5.5 1.5
or (resid 10 and name CD2 and segid A) (resid 7 and name C4 and segid C)
assign (resid 10 and name CD2 and segid A) (resid 6 and name C3 and segid C) 6.5 5.5 1.5
or (resid 10 and name CD2 and segid A) (resid 6 and name C9 and segid C)
assign (resid 10 and name CD2 and segid A) (resid 6 and name C5 and segid C) 6.5 5.5 1.5
or (resid 10 and name CD2 and segid A) (resid 7 and name C3 and segid C)
assign (resid 9 and name CA and segid A) (resid 6 and name C8 and segid C) 7.5 5.5 1.5
or (resid 10 and name CA and segid A) (resid 6 and name C8 and segid C)
or (resid 9 and name CA and segid A) (resid 7 and name C8 and segid C)
or (resid 10 and name CA and segid A) (resid 7 and name C8 and segid C)
assign (resid 9 and name CA and segid A) (resid 6 and name C11 and segid C) 7.5 5.5 1.5
or  (resid 10 and name CA and segid A) (resid 6 and name C11 and segid C)

!PPI
assign (segid "A" and resid  8 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
!or (segid "A" and resid  8 and name   HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "A" and resid  9 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "A" and resid  9 and name   HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "A" and resid  10 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "A" and resid  10 and name   HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "A" and resid  11 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "A" and resid  11 and name   HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3))

assign (segid "A" and resid  8 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
!or (segid "A" and resid  8 and name   HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "A" and resid  9 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "A" and resid  9 and name   HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "A" and resid  10 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "A" and resid  10 and name   HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "A" and resid  11 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "A" and resid  11 and name   HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3))

assign (segid "A" and resid  8 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
!or (segid "A" and resid  8 and name   HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "A" and resid  9 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "A" and resid  9 and name   HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "A" and resid  10 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "A" and resid  10 and name   HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "A" and resid  11 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "A" and resid  11 and name   HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3))

assign (segid "A" and resid  8 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
!or (segid "A" and resid  8 and name   HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "A" and resid  9 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "A" and resid  9 and name   HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "A" and resid  10 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "A" and resid  10 and name   HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "A" and resid  11 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "A" and resid  11 and name   HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3))

!PPi to include residue 9 / second Pi with certainty

assign (segid "A" and resid  9 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "A" and resid  10 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 
!or (segid "A" and resid  10 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 
!or (segid "A" and resid  11 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 

assign (segid "A" and resid  9 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "A" and resid  10 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 
!or (segid "A" and resid  10 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 
!or (segid "A" and resid  11 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 

assign (segid "A" and resid  9 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "A" and resid  10 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 
!or (segid "A" and resid  10 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 
!or (segid "A" and resid  11 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 

assign (segid "A" and resid  9 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "A" and resid  10 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 
!or (segid "A" and resid  10 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 
!or (segid "A" and resid  11 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 



!assign (resid 11 and name HN and segid A) (resid 8 and name P and segid C) 4.0 1.5 2.0
!or (resid 10 and name HN and segid A) (resid 8 and name P and segid C)
!or (resid 9 and name HN and segid A) (resid 8 and name P and segid C)
!or (resid 8 and name HN and segid A) (resid 8 and name P and segid C)

!assign (resid 11 and name HN and segid A) (resid 8 and name P and segid C) 4.0 1.5 2.0
!or (resid 10 and name HN and segid A) (resid 8 and name P and segid C)
!or (resid 9 and name HN and segid A) (resid 8 and name P and segid C)
!or (resid 8 and name HN and segid A) (resid 8 and name P and segid C)

!assign (resid 11 and name HN and segid A) (resid 9 and name P and segid C) 4.0 1.5 2.0
!or (resid 10 and name HN and segid A) (resid 9 and name P and segid C)
!or (resid 9 and name HN and segid A) (resid 9 and name P and segid C)
!or (resid 8 and name HN and segid A) (resid 9 and name P and segid C)

!assign (resid 11 and name HN and segid A) (resid 9 and name P and segid C) 4.0 1.5 2.0
!or (resid 10 and name HN and segid A) (resid 9 and name P and segid C)
!or (resid 9 and name HN and segid A) (resid 9 and name P and segid C)
!or (resid 8 and name HN and segid A) (resid 9 and name P and segid C)


!>>>>>>>>>>>>>>>>>>>>>>
!<<<<<<<<<<<<<<<<<<<<<<

! SECOND PAIR (B + D)

!<<<<<<<<<<<<<<<<<<<<<<
!>>>>>>>>>>>>>>>>>>>>>>


! Lipid II - sugar
!from PARIS 600ms at 950Mhz 
!Unambiguous
assign (resid 7 and name C1 and segid D) (resid 6 and name C2 and segid D) 4.5 3.0 1.5
assign (resid 7 and name C1 and segid D) (resid 6 and name C9 and segid D) 4.5 3.0 1.5
assign (resid 7 and name C2 and segid D) (resid 6 and name C1 and segid D) 4.5 3.0 1.5
assign (resid 7 and name C2 and segid D) (resid 6 and name C6 and segid D) 4.5 3.0 1.5
assign (resid 7 and name C5 and segid D) (resid 6 and name C1 and segid D) 4.5 3.0 1.5
assign (resid 7 and name C5 and segid D) (resid 6 and name C2 and segid D) 4.5 3.0 1.5
assign (resid 7 and name C5 and segid D) (resid 6 and name C6 and segid D) 4.5 3.0 1.5
assign (resid 7 and name C6 and segid D) (resid 6 and name C2 and segid D) 4.5 3.0 1.5

!Ambiguous
assign (resid 7 and name C4 and segid D) (resid 7 and name C1 and segid D) 4.5 3.0 1.5
or (resid 6 and name C4 and segid D) (resid 7 and name C1 and segid D)
assign (resid 7 and name C5 and segid D) (resid 6 and name C11 and segid D) 4.5 3.0 1.5
or (resid 7 and name C5 and segid D) (resid 6 and name C3 and segid D)
assign (resid 7 and name C4 and segid D) (resid 7 and name C8 and segid D) 4.5 3.0 1.5
or (resid 7 and name C4 and segid D) (resid 6 and name C8 and segid D)
or (resid 6 and name C4 and segid D) (resid 7 and name C8 and segid D)
or (resid 6 and name C4 and segid D) (resid 6 and name C8 and segid D)
assign (resid 6 and name C4 and segid D) (resid 6 and name C1 and segid D) 4.5 3.0 1.5
or (resid 7 and name C4 and segid D) (resid 6 and name C1 and segid D)
assign (resid 6 and name C4 and segid D) (resid 6 and name C9 and segid D) 4.5 3.0 1.5
or (resid 7 and name C4 and segid D) (resid 6 and name C9 and segid D)
assign (resid 6 and name C3 and segid D) (resid 7 and name C1 and segid D) 4.5 3.0 1.5
or (resid 6 and name C11 and segid D) (resid 7 and name C1 and segid D)
assign (resid 6 and name C3 and segid D) (resid 7 and name C2 and segid D) 4.5 3.0 1.5
or (resid 6 and name C11 and segid D) (resid 7 and name C2 and segid D)
assign (resid 6 and name C3 and segid D) (resid 7 and name C6 and segid D) 4.5 3.0 1.5
or (resid 6 and name C11 and segid D) (resid 7 and name C6 and segid D)
assign (resid 7 and name C7 and segid D) (resid 6 and name C11 and segid D) 4.5 3.0 1.5
or (resid 7 and name C7 and segid D) (resid 6 and name C3 and segid D)


!Lipid II sugar-pentapeptide contacts
!from PARIS 600ms at 950Mhz 

assign (resid 1 and name CA and segid D) (resid 6 and name C9 and segid D) 4.5 3.0 1.5
assign (resid 1 and name CA and segid D) (resid 6 and name C8 and segid D) 4.5 3.0 1.5
or (resid 1 and name CA and segid D) (resid 7 and name C8 and segid D)

!Teixo-Lipid II contacts
!from PARIS 600ms at 950Mhz 

assign (resid 10 and name CD2 and segid B) (resid 6 and name C1 and segid D) 6.5 5.5 1.5
assign (resid 9 and name CB and segid B) (resid 6 and name C1 and segid D) 6.5 5.5 1.5
assign (resid 10 and name CD2 and segid B) (resid 7 and name C5 and segid D) 7.5 5.5 1.5
assign (resid 9 and name CB and segid B) (resid 6 and name C6 and segid D) 6.5 5.5 1.5
assign (resid 10 and name CD2 and segid B) (resid 6 and name C11 and segid D) 6.5 5.5 1.5
assign (resid 9 and name CA and segid B) (resid 6 and name C1 and segid D) 6.5 5.5 1.5
or  (resid 10 and name CA and segid B) (resid 6 and name C1 and segid D)
assign (resid 9 and name CA and segid B) (resid 6 and name C5 and segid D) 6.5 5.5 1.5
or (resid 10 and name CA and segid B) (resid 6 and name C5 and segid D)
or (resid 9 and name CA and segid B) (resid 7 and name C3 and segid D)
or (resid 10 and name CA and segid B) (resid 7 and name C3 and segid D)
assign (resid 9 and name CA and segid B) (resid 6 and name C6 and segid D) 6.5 5.5 1.5
or (resid 10 and name CA and segid B) (resid 6 and name C6 and segid D)
assign (resid 9 and name CA and segid B) (resid 6 and name C4 and segid D) 6.5 5.5 1.5
or (resid 10 and name CA and segid B) (resid 6 and name C4 and segid D)
or (resid 9 and name CA and segid B) (resid 7 and name C4 and segid D)
or (resid 10 and name CA and segid B) (resid 7 and name C4 and segid D)
assign (resid 9 and name CA and segid B) (resid 6 and name C3 and segid D) 6.5 5.5 1.5
or (resid 10 and name CA and segid B) (resid 6 and name C9 and segid D)
or (resid 9 and name CA and segid B) (resid 6 and name C3 and segid D)
or (resid 10 and name CA and segid B) (resid 6 and name C9 and segid D)
assign (resid 9 and name CB and segid B) (resid 6 and name C3 and segid D) 6.5 5.5 1.5
or (resid 9 and name CB and segid B) (resid 6 and name C9 and segid D)
assign (resid 9 and name CB and segid B) (resid 6 and name C3 and segid D) 6.5 5.5 1.5
or (resid 9 and name CB and segid B) (resid 6 and name C9 and segid D)
assign (resid 9 and name CB and segid B) (resid 6 and name C4 and segid D) 6.5 5.5 1.5
or (resid 9 and name CB and segid B) (resid 7 and name C4 and segid D)
assign (resid 10 and name CD2 and segid B) (resid 6 and name C4 and segid D) 6.5 5.5 1.5
or (resid 10 and name CD2 and segid B) (resid 7 and name C4 and segid D)
assign (resid 10 and name CD2 and segid B) (resid 6 and name C3 and segid D) 6.5 5.5 1.5
or (resid 10 and name CD2 and segid B) (resid 6 and name C9 and segid D)
assign (resid 10 and name CD2 and segid B) (resid 6 and name C5 and segid D) 6.5 5.5 1.5
or (resid 10 and name CD2 and segid B) (resid 7 and name C3 and segid D)
assign (resid 9 and name CA and segid B) (resid 6 and name C8 and segid D) 7.5 5.5 1.5
or (resid 10 and name CA and segid B) (resid 6 and name C8 and segid D)
or (resid 9 and name CA and segid B) (resid 7 and name C8 and segid D)
or (resid 10 and name CA and segid B) (resid 7 and name C8 and segid D)
assign (resid 9 and name CA and segid B) (resid 6 and name C11 and segid D) 7.5 5.5 1.5
or  (resid 10 and name CA and segid B) (resid 6 and name C11 and segid D)

!PPI
assign (segid "B" and resid  8 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
!or (segid "B" and resid  8 and name   HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "B" and resid  9 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "B" and resid  9 and name   HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "B" and resid  10 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "B" and resid  10 and name   HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "B" and resid  11 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "B" and resid  11 and name   HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))

assign (segid "B" and resid  8 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
!or (segid "B" and resid  8 and name   HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "B" and resid  9 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "B" and resid  9 and name   HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "B" and resid  10 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "B" and resid  10 and name   HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "B" and resid  11 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "B" and resid  11 and name   HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))

assign (segid "B" and resid  8 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
!or (segid "B" and resid  8 and name   HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "B" and resid  9 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "B" and resid  9 and name   HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "B" and resid  10 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "B" and resid  10 and name   HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "B" and resid  11 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "B" and resid  11 and name   HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))

assign (segid "B" and resid  8 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
!or (segid "B" and resid  8 and name   HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "B" and resid  9 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "B" and resid  9 and name   HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "B" and resid  10 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "B" and resid  10 and name   HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "B" and resid  11 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "B" and resid  11 and name   HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))

assign (segid "B" and resid  9 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "B" and resid  10 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))
!or (segid "B" and resid  10 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))
!or (segid "B" and resid  11 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))

assign (segid "B" and resid  9 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "B" and resid  10 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))
!or (segid "B" and resid  10 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))
!or (segid "B" and resid  11 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))

assign (segid "B" and resid  9 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "B" and resid  10 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))
!or (segid "B" and resid  10 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))
!or (segid "B" and resid  11 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))

assign (segid "B" and resid  9 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "B" and resid  10 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))
!or (segid "B" and resid  10 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))
!or (segid "B" and resid  11 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3))


!! ILE2/6 with TPL. Restraints to get the hydrophobic sidechains and TPL pointing into the same direction, as shown by T2-edited H(H)C experiment 

assign (resid 6 and name CD1 and segid B) (resid 10 and name C3 and segid D) 7.5 7.5 1.0
assign (resid 6 and name CD1 and segid B) (resid 11 and name C3 and segid D) 6 6 1.0
assign (resid 6 and name CD1 and segid B) (resid 12 and name C3 and segid D) 9 9 2.0
assign (resid 6 and name CD1 and segid B) (resid 10 and name C3 and segid D) 7.5 7.5 1.0
assign (resid 6 and name CD1 and segid B) (resid 11 and name C3 and segid D) 6 6 1.0
assign (resid 6 and name CD1 and segid B) (resid 12 and name C3 and segid D) 9 9 2.0


assign (resid 6 and name CD1 and segid F) (resid 10 and name C3 and segid H) 7.5 7.5 1.0
assign (resid 6 and name CD1 and segid F) (resid 11 and name C3 and segid H) 6 6 1.0
assign (resid 6 and name CD1 and segid F) (resid 12 and name C3 and segid H) 9 9 2.0
assign (resid 6 and name CD1 and segid F) (resid 10 and name C3 and segid H) 7.5 7.5 1.0
assign (resid 6 and name CD1 and segid F) (resid 11 and name C3 and segid H) 6 6 1.0
assign (resid 6 and name CD1 and segid F) (resid 12 and name C3 and segid H) 9 9 2.0

assign (resid 6 and name CD1 and segid A) (resid 10 and name C3 and segid C) 7.5 7.5 1.0
assign (resid 6 and name CD1 and segid A) (resid 11 and name C3 and segid C) 6 6 1.0
assign (resid 6 and name CD1 and segid A) (resid 12 and name C3 and segid C) 9 9 2.0
assign (resid 6 and name CD1 and segid A) (resid 10 and name C3 and segid C) 7.5 7.5 1.0
assign (resid 6 and name CD1 and segid A) (resid 11 and name C3 and segid C) 6 6 1.0
assign (resid 6 and name CD1 and segid A) (resid 12 and name C3 and segid C) 9 9 2.0

assign (resid 6 and name CD1 and segid E) (resid 10 and name C3 and segid G) 7.5 7.5 1.0
assign (resid 6 and name CD1 and segid E) (resid 11 and name C3 and segid G) 6 6 1.0
assign (resid 6 and name CD1 and segid E) (resid 12 and name C3 and segid G) 9 9 2.0
assign (resid 6 and name CD1 and segid E) (resid 10 and name C3 and segid G) 7.5 7.5 1.0
assign (resid 6 and name CD1 and segid E) (resid 11 and name C3 and segid G) 6 6 1.0
assign (resid 6 and name CD1 and segid E) (resid 12 and name C3 and segid G) 9 9 2.0

!>>>>>>>>>>>>>>>>>>>>>>
!<<<<<<<<<<<<<<<<<<<<<<

! !  ! PAIRS E - G & F - H

!<<<<<<<<<<<<<<<<<<<<<<
!>>>>>>>>>>>>>>>>>>>>>>


! Lipid II - sugar
!from PARIS 600ms at 950Mhz 
!Unambiguous
assign (resid 7 and name C1 and segid G) (resid 6 and name C2 and segid G) 4.5 3.0 1.5
assign (resid 7 and name C1 and segid G) (resid 6 and name C9 and segid G) 4.5 3.0 1.5
assign (resid 7 and name C2 and segid G) (resid 6 and name C1 and segid G) 4.5 3.0 1.5
assign (resid 7 and name C2 and segid G) (resid 6 and name C6 and segid G) 4.5 3.0 1.5
assign (resid 7 and name C5 and segid G) (resid 6 and name C1 and segid G) 4.5 3.0 1.5
assign (resid 7 and name C5 and segid G) (resid 6 and name C2 and segid G) 4.5 3.0 1.5
assign (resid 7 and name C5 and segid G) (resid 6 and name C6 and segid G) 4.5 3.0 1.5
assign (resid 7 and name C6 and segid G) (resid 6 and name C2 and segid G) 4.5 3.0 1.5

!Ambiguous
assign (resid 7 and name C4 and segid G) (resid 7 and name C1 and segid G) 4.5 3.0 1.5
or (resid 6 and name C4 and segid G) (resid 7 and name C1 and segid G)
assign (resid 7 and name C5 and segid G) (resid 6 and name C11 and segid G) 4.5 3.0 1.5
or (resid 7 and name C5 and segid G) (resid 6 and name C3 and segid G)
assign (resid 7 and name C4 and segid G) (resid 7 and name C8 and segid G) 4.5 3.0 1.5
or (resid 7 and name C4 and segid G) (resid 6 and name C8 and segid G)
or (resid 6 and name C4 and segid G) (resid 7 and name C8 and segid G)
or (resid 6 and name C4 and segid G) (resid 6 and name C8 and segid G)
assign (resid 6 and name C4 and segid G) (resid 6 and name C1 and segid G) 4.5 3.0 1.5
or (resid 7 and name C4 and segid G) (resid 6 and name C1 and segid G)
assign (resid 6 and name C4 and segid G) (resid 6 and name C9 and segid G) 4.5 3.0 1.5
or (resid 7 and name C4 and segid G) (resid 6 and name C9 and segid G)
assign (resid 6 and name C3 and segid G) (resid 7 and name C1 and segid G) 4.5 3.0 1.5
or (resid 6 and name C11 and segid G) (resid 7 and name C1 and segid G)
assign (resid 6 and name C3 and segid G) (resid 7 and name C2 and segid G) 4.5 3.0 1.5
or (resid 6 and name C11 and segid G) (resid 7 and name C2 and segid G)
assign (resid 6 and name C3 and segid G) (resid 7 and name C6 and segid G) 4.5 3.0 1.5
or (resid 6 and name C11 and segid G) (resid 7 and name C6 and segid G)
assign (resid 7 and name C7 and segid G) (resid 6 and name C11 and segid G) 4.5 3.0 1.5
or (resid 7 and name C7 and segid G) (resid 6 and name C3 and segid G)


!Lipid II sugar-pentapeptide contacts
!from PARIS 600ms at 950Mhz 

assign (resid 1 and name CA and segid G) (resid 6 and name C9 and segid G) 4.5 3.0 1.5
assign (resid 1 and name CA and segid G) (resid 6 and name C8 and segid G) 4.5 3.0 1.5
or (resid 1 and name CA and segid G) (resid 7 and name C8 and segid G)

!Teixo-Lipid II contacts
!from PARIS 600ms at 950Mhz 

assign (resid 10 and name CD2 and segid E) (resid 6 and name C1 and segid G) 6.5 5.5 1.5
assign (resid 9 and name CB and segid E) (resid 6 and name C1 and segid G) 6.5 5.5 1.5
assign (resid 10 and name CD2 and segid E) (resid 7 and name C5 and segid G) 7.5 5.5 1.5
assign (resid 9 and name CB and segid E) (resid 6 and name C6 and segid G) 6.5 5.5 1.5
assign (resid 10 and name CD2 and segid E) (resid 6 and name C11 and segid G) 6.5 5.5 1.5
assign (resid 9 and name CA and segid E) (resid 6 and name C1 and segid G) 6.5 5.5 1.5
or  (resid 10 and name CA and segid E) (resid 6 and name C1 and segid G)
assign (resid 9 and name CA and segid E) (resid 6 and name C5 and segid G) 6.5 5.5 1.5
or (resid 10 and name CA and segid E) (resid 6 and name C5 and segid G)
or (resid 9 and name CA and segid E) (resid 7 and name C3 and segid G)
or (resid 10 and name CA and segid E) (resid 7 and name C3 and segid G)
assign (resid 9 and name CA and segid E) (resid 6 and name C6 and segid G) 6.5 5.5 1.5
or (resid 10 and name CA and segid E) (resid 6 and name C6 and segid G)
assign (resid 9 and name CA and segid E) (resid 6 and name C4 and segid G) 6.5 5.5 1.5
or (resid 10 and name CA and segid E) (resid 6 and name C4 and segid G)
or (resid 9 and name CA and segid E) (resid 7 and name C4 and segid G)
or (resid 10 and name CA and segid E) (resid 7 and name C4 and segid G)
assign (resid 9 and name CA and segid E) (resid 6 and name C3 and segid G) 6.5 5.5 1.5
or (resid 10 and name CA and segid E) (resid 6 and name C9 and segid G)
or (resid 9 and name CA and segid E) (resid 6 and name C3 and segid G)
or (resid 10 and name CA and segid E) (resid 6 and name C9 and segid G)
assign (resid 9 and name CB and segid E) (resid 6 and name C3 and segid G) 6.5 5.5 1.5
or (resid 9 and name CB and segid E) (resid 6 and name C9 and segid G)
assign (resid 9 and name CB and segid E) (resid 6 and name C3 and segid G) 6.5 5.5 1.5
or (resid 9 and name CB and segid E) (resid 6 and name C9 and segid G)
assign (resid 9 and name CB and segid E) (resid 6 and name C4 and segid G) 6.5 5.5 1.5
or (resid 9 and name CB and segid E) (resid 7 and name C4 and segid G)
assign (resid 10 and name CD2 and segid E) (resid 6 and name C4 and segid G) 6.5 5.5 1.5
or (resid 10 and name CD2 and segid E) (resid 7 and name C4 and segid G)
assign (resid 10 and name CD2 and segid E) (resid 6 and name C3 and segid G) 6.5 5.5 1.5
or (resid 10 and name CD2 and segid E) (resid 6 and name C9 and segid G)
assign (resid 10 and name CD2 and segid E) (resid 6 and name C5 and segid G) 6.5 5.5 1.5
or (resid 10 and name CD2 and segid E) (resid 7 and name C3 and segid G)
assign (resid 9 and name CA and segid E) (resid 6 and name C8 and segid G) 7.5 5.5 1.5
or (resid 10 and name CA and segid E) (resid 6 and name C8 and segid G)
or (resid 9 and name CA and segid E) (resid 7 and name C8 and segid G)
or (resid 10 and name CA and segid E) (resid 7 and name C8 and segid G)
assign (resid 9 and name CA and segid E) (resid 6 and name C11 and segid G) 7.5 5.5 1.5
or  (resid 10 and name CA and segid E) (resid 6 and name C11 and segid G)

!PPI
assign (segid "E" and resid  8 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
!or (segid "E" and resid  8 and name   HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "E" and resid  9 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "E" and resid  9 and name   HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "E" and resid  10 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "E" and resid  10 and name   HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "E" and resid  11 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "E" and resid  11 and name   HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3))

assign (segid "E" and resid  8 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
!or (segid "E" and resid  8 and name   HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "E" and resid  9 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "E" and resid  9 and name   HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "E" and resid  10 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "E" and resid  10 and name   HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "E" and resid  11 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "E" and resid  11 and name   HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3))

assign (segid "E" and resid  8 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
!or (segid "E" and resid  8 and name   HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "E" and resid  9 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "E" and resid  9 and name   HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "E" and resid  10 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "E" and resid  10 and name   HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "E" and resid  11 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "E" and resid  11 and name   HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3))

assign (segid "E" and resid  8 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
!or (segid "E" and resid  8 and name   HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "E" and resid  9 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "E" and resid  9 and name   HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "E" and resid  10 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "E" and resid  10 and name   HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "E" and resid  11 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "E" and resid  11 and name   HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3))

!PPi to include residue 9 / second Pi with certainty

assign (segid "E" and resid  9 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "E" and resid  10 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 
!or (segid "E" and resid  10 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 
!or (segid "E" and resid  11 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 

assign (segid "E" and resid  9 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "E" and resid  10 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 
!or (segid "E" and resid  10 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 
!or (segid "E" and resid  11 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 

assign (segid "E" and resid  9 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "E" and resid  10 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 
!or (segid "E" and resid  10 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 
!or (segid "E" and resid  11 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 

assign (segid "E" and resid  9 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "E" and resid  10 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 
!or (segid "E" and resid  10 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 
!or (segid "E" and resid  11 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 



!assign (resid 11 and name HN and segid E) (resid 8 and name P and segid G) 4.0 1.5 2.0
!or (resid 10 and name HN and segid E) (resid 8 and name P and segid G)
!or (resid 9 and name HN and segid E) (resid 8 and name P and segid G)
!or (resid 8 and name HN and segid E) (resid 8 and name P and segid G)

!assign (resid 11 and name HN and segid E) (resid 8 and name P and segid G) 4.0 1.5 2.0
!or (resid 10 and name HN and segid E) (resid 8 and name P and segid G)
!or (resid 9 and name HN and segid E) (resid 8 and name P and segid G)
!or (resid 8 and name HN and segid E) (resid 8 and name P and segid G)

!assign (resid 11 and name HN and segid E) (resid 9 and name P and segid G) 4.0 1.5 2.0
!or (resid 10 and name HN and segid E) (resid 9 and name P and segid G)
!or (resid 9 and name HN and segid E) (resid 9 and name P and segid G)
!or (resid 8 and name HN and segid E) (resid 9 and name P and segid G)

!assign (resid 11 and name HN and segid E) (resid 9 and name P and segid G) 4.0 1.5 2.0
!or (resid 10 and name HN and segid E) (resid 9 and name P and segid G)
!or (resid 9 and name HN and segid E) (resid 9 and name P and segid G)
!or (resid 8 and name HN and segid E) (resid 9 and name P and segid G)


!>>>>>>>>>>>>>>>>>>>>>>
!<<<<<<<<<<<<<<<<<<<<<<

! SECOND PAIR (F + H)

!<<<<<<<<<<<<<<<<<<<<<<


! Lipid II - sugar
!from PARIS 600ms at 950Mhz 
!Unambiguous
assign (resid 7 and name C1 and segid H) (resid 6 and name C2 and segid H) 4.5 3.0 1.5
assign (resid 7 and name C1 and segid H) (resid 6 and name C9 and segid H) 4.5 3.0 1.5
assign (resid 7 and name C2 and segid H) (resid 6 and name C1 and segid H) 4.5 3.0 1.5
assign (resid 7 and name C2 and segid H) (resid 6 and name C6 and segid H) 4.5 3.0 1.5
assign (resid 7 and name C5 and segid H) (resid 6 and name C1 and segid H) 4.5 3.0 1.5
assign (resid 7 and name C5 and segid H) (resid 6 and name C2 and segid H) 4.5 3.0 1.5
assign (resid 7 and name C5 and segid H) (resid 6 and name C6 and segid H) 4.5 3.0 1.5
assign (resid 7 and name C6 and segid H) (resid 6 and name C2 and segid H) 4.5 3.0 1.5

!Ambiguous
assign (resid 7 and name C4 and segid H) (resid 7 and name C1 and segid H) 4.5 3.0 1.5
or (resid 6 and name C4 and segid H) (resid 7 and name C1 and segid H)
assign (resid 7 and name C5 and segid H) (resid 6 and name C11 and segid H) 4.5 3.0 1.5
or (resid 7 and name C5 and segid H) (resid 6 and name C3 and segid H)
assign (resid 7 and name C4 and segid H) (resid 7 and name C8 and segid H) 4.5 3.0 1.5
or (resid 7 and name C4 and segid H) (resid 6 and name C8 and segid H)
or (resid 6 and name C4 and segid H) (resid 7 and name C8 and segid H)
or (resid 6 and name C4 and segid H) (resid 6 and name C8 and segid H)
assign (resid 6 and name C4 and segid H) (resid 6 and name C1 and segid H) 4.5 3.0 1.5
or (resid 7 and name C4 and segid H) (resid 6 and name C1 and segid H)
assign (resid 6 and name C4 and segid H) (resid 6 and name C9 and segid H) 4.5 3.0 1.5
or (resid 7 and name C4 and segid H) (resid 6 and name C9 and segid H)
assign (resid 6 and name C3 and segid H) (resid 7 and name C1 and segid H) 4.5 3.0 1.5
or (resid 6 and name C11 and segid H) (resid 7 and name C1 and segid H)
assign (resid 6 and name C3 and segid H) (resid 7 and name C2 and segid H) 4.5 3.0 1.5
or (resid 6 and name C11 and segid H) (resid 7 and name C2 and segid H)
assign (resid 6 and name C3 and segid H) (resid 7 and name C6 and segid H) 4.5 3.0 1.5
or (resid 6 and name C11 and segid H) (resid 7 and name C6 and segid H)
assign (resid 7 and name C7 and segid H) (resid 6 and name C11 and segid H) 4.5 3.0 1.5
or (resid 7 and name C7 and segid H) (resid 6 and name C3 and segid H)


!Lipid II sugar-pentapeptide contacts
!from PARIS 600ms at 950Mhz 

assign (resid 1 and name CA and segid H) (resid 6 and name C9 and segid H) 4.5 3.0 1.5
assign (resid 1 and name CA and segid H) (resid 6 and name C8 and segid H) 4.5 3.0 1.5
or (resid 1 and name CA and segid H) (resid 7 and name C8 and segid H)

!Teixo-Lipid II contacts
!from PARIS 600ms at 950Mhz 

assign (resid 10 and name CD2 and segid F) (resid 6 and name C1 and segid H) 6.5 5.5 1.5
assign (resid 9 and name CB and segid F) (resid 6 and name C1 and segid H) 6.5 5.5 1.5
assign (resid 10 and name CD2 and segid F) (resid 7 and name C5 and segid H) 7.5 5.5 1.5
assign (resid 9 and name CB and segid F) (resid 6 and name C6 and segid H) 6.5 5.5 1.5
assign (resid 10 and name CD2 and segid F) (resid 6 and name C11 and segid H) 6.5 5.5 1.5
assign (resid 9 and name CA and segid F) (resid 6 and name C1 and segid H) 6.5 5.5 1.5
or  (resid 10 and name CA and segid F) (resid 6 and name C1 and segid H)
assign (resid 9 and name CA and segid F) (resid 6 and name C5 and segid H) 6.5 5.5 1.5
or (resid 10 and name CA and segid F) (resid 6 and name C5 and segid H)
or (resid 9 and name CA and segid F) (resid 7 and name C3 and segid H)
or (resid 10 and name CA and segid F) (resid 7 and name C3 and segid H)
assign (resid 9 and name CA and segid F) (resid 6 and name C6 and segid H) 6.5 5.5 1.5
or (resid 10 and name CA and segid F) (resid 6 and name C6 and segid H)
assign (resid 9 and name CA and segid F) (resid 6 and name C4 and segid H) 6.5 5.5 1.5
or (resid 10 and name CA and segid F) (resid 6 and name C4 and segid H)
or (resid 9 and name CA and segid F) (resid 7 and name C4 and segid H)
or (resid 10 and name CA and segid F) (resid 7 and name C4 and segid H)
assign (resid 9 and name CA and segid F) (resid 6 and name C3 and segid H) 6.5 5.5 1.5
or (resid 10 and name CA and segid F) (resid 6 and name C9 and segid H)
or (resid 9 and name CA and segid F) (resid 6 and name C3 and segid H)
or (resid 10 and name CA and segid F) (resid 6 and name C9 and segid H)
assign (resid 9 and name CB and segid F) (resid 6 and name C3 and segid H) 6.5 5.5 1.5
or (resid 9 and name CB and segid F) (resid 6 and name C9 and segid H)
assign (resid 9 and name CB and segid F) (resid 6 and name C3 and segid H) 6.5 5.5 1.5
or (resid 9 and name CB and segid F) (resid 6 and name C9 and segid H)
assign (resid 9 and name CB and segid F) (resid 6 and name C4 and segid H) 6.5 5.5 1.5
or (resid 9 and name CB and segid F) (resid 7 and name C4 and segid H)
assign (resid 10 and name CD2 and segid F) (resid 6 and name C4 and segid H) 6.5 5.5 1.5
or (resid 10 and name CD2 and segid F) (resid 7 and name C4 and segid H)
assign (resid 10 and name CD2 and segid F) (resid 6 and name C3 and segid H) 6.5 5.5 1.5
or (resid 10 and name CD2 and segid F) (resid 6 and name C9 and segid H)
assign (resid 10 and name CD2 and segid F) (resid 6 and name C5 and segid H) 6.5 5.5 1.5
or (resid 10 and name CD2 and segid F) (resid 7 and name C3 and segid H)
assign (resid 9 and name CA and segid F) (resid 6 and name C8 and segid H) 7.5 5.5 1.5
or (resid 10 and name CA and segid F) (resid 6 and name C8 and segid H)
or (resid 9 and name CA and segid F) (resid 7 and name C8 and segid H)
or (resid 10 and name CA and segid F) (resid 7 and name C8 and segid H)
assign (resid 9 and name CA and segid F) (resid 6 and name C11 and segid H) 7.5 5.5 1.5
or  (resid 10 and name CA and segid F) (resid 6 and name C11 and segid H)

!PPI
assign (segid "F" and resid  8 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
!or (segid "F" and resid  8 and name   HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "F" and resid  9 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "F" and resid  9 and name   HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "F" and resid  10 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "F" and resid  10 and name   HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "F" and resid  11 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "F" and resid  11 and name   HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))

assign (segid "F" and resid  8 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
!or (segid "F" and resid  8 and name   HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "F" and resid  9 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "F" and resid  9 and name   HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "F" and resid  10 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "F" and resid  10 and name   HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "F" and resid  11 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "F" and resid  11 and name   HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))

assign (segid "F" and resid  8 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
!or (segid "F" and resid  8 and name   HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "F" and resid  9 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "F" and resid  9 and name   HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "F" and resid  10 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "F" and resid  10 and name   HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "F" and resid  11 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "F" and resid  11 and name   HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))

assign (segid "F" and resid  8 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
!or (segid "F" and resid  8 and name   HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "F" and resid  9 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "F" and resid  9 and name   HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "F" and resid  10 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "F" and resid  10 and name   HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))
assign (segid "F" and resid  11 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "F" and resid  11 and name   HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))

assign (segid "F" and resid  9 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "F" and resid  10 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))
!or (segid "F" and resid  10 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))
!or (segid "F" and resid  11 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))

assign (segid "F" and resid  9 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "F" and resid  10 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))
!or (segid "F" and resid  10 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))
!or (segid "F" and resid  11 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))

assign (segid "F" and resid  9 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "F" and resid  10 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))
!or (segid "F" and resid  10 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))
!or (segid "F" and resid  11 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))

assign (segid "F" and resid  9 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4
or (segid "F" and resid  10 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))
!or (segid "F" and resid  10 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))
!or (segid "F" and resid  11 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))






  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ZAE   1           HN1      DPH   1   7.412 -17.450  -2.059
    2    HA   ZAE   1           HA       DPH   1   6.501 -16.082  -3.809
    3    HB2  ZAE   1           HB1      DPH   1   9.158 -14.836  -3.223
    4    HB3  ZAE   1           HB2      DPH   1   9.069 -16.577  -3.460
    5    HD1  ZAE   1           HD1      DPH   1   6.632 -16.109  -5.506
    6    HD2  ZAE   1           HD2      DPH   1  10.626 -14.717  -5.192
    7    HE1  ZAE   1           HE1      DPH   1   6.711 -15.765  -7.945
    8    HE2  ZAE   1           HE2      DPH   1  10.713 -14.377  -7.618
    9    HZ   ZAE   1           HZ       DPH   1   8.755 -14.894  -9.000
   10    H11  ZAE   1          HN11      DPH   1   7.794 -14.922  -0.604
   11    H12  ZAE   1          HN12      DPH   1   9.059 -16.014  -1.168
   12    H13  ZAE   1          HN13      DPH   1   7.944 -16.535   0.098
   13    HN2  ZAE   1           HN2      DPH   1   6.138 -16.499  -1.476
   14    H    ILE   2           HN       ILE   2   4.800 -14.781  -2.777
   15    HA   ILE   2           HA       ILE   2   5.654 -11.987  -2.416
   16    HB   ILE   2           HB       ILE   2   4.499 -12.591  -4.628
   17   HG12  ILE   2          HG12      ILE   2   3.226 -10.428  -2.965
   18   HG13  ILE   2          HG11      ILE   2   4.766 -10.272  -3.791
   19   HG21  ILE   2          HG21      ILE   2   2.050 -12.718  -4.649
   20   HG22  ILE   2          HG22      ILE   2   2.025 -12.720  -2.886
   21   HG23  ILE   2          HG23      ILE   2   2.757 -14.066  -3.757
   22   HD11  ILE   2          HD11      ILE   2   3.645 -10.477  -5.910
   23   HD12  ILE   2          HD12      ILE   2   2.924  -9.190  -4.942
   24   HD13  ILE   2          HD13      ILE   2   2.108 -10.747  -5.084
   25    H    SER   3           HN       SER   3   4.562 -10.694  -0.849
   26    HA   SER   3           HA       SER   3   2.338 -11.978   0.549
   27    HB2  SER   3           HB2      SER   3   4.800 -11.011   2.012
   28    HB3  SER   3           HB1      SER   3   3.309 -11.556   2.776
   29    HG   SER   3           HG       SER   3   4.027 -13.479   1.142
   30    H    DAR   4           HN       DAR   4   0.906 -10.674   1.433
   31    HA   DAR   4           HA       DAR   4   1.172  -7.781   0.972
   32    HB2  DAR   4           HB1      DAR   4   0.162  -9.198   3.439
   33    HB3  DAR   4           HB2      DAR   4  -0.267  -7.535   3.062
   34    HG2  DAR   4           HG1      DAR   4   1.841  -6.750   3.445
   35    HG3  DAR   4           HG2      DAR   4   2.591  -8.323   3.139
   36    HD2  DAR   4           HD1      DAR   4   0.697  -7.995   5.413
   37    HD3  DAR   4           HD2      DAR   4   2.358  -7.431   5.571
   38    HE   DAR   4           HE       DAR   4   1.499 -10.189   5.164
   39   HH11  DAR   4          HH21      DAR   4   4.585 -11.242   6.509
   40   HH12  DAR   4          HH22      DAR   4   3.000 -11.784   5.855
   41   HH21  DAR   4          HH11      DAR   4   5.182  -9.041   6.408
   42   HH22  DAR   4          HH12      DAR   4   4.035  -7.826   5.737
   43    HA   28J   5           HA       28J   5  -3.016  -8.494  -0.012
   44    H22  28J   5           HB       28J   5  -3.244  -7.773  -2.604
   45    H23  28J   5          HG21      28J   5  -0.383  -8.615  -2.150
   46    H24  28J   5          HG22      28J   5  -0.936  -7.077  -2.812
   47    H25  28J   5          HG23      28J   5  -1.170  -8.568  -3.727
   48    H26  28J   5          HG11      28J   5  -2.339 -10.318  -1.275
   49    H27  28J   5          HG12      28J   5  -2.598 -10.244  -3.015
   50    H28  28J   5          HD11      28J   5  -4.902  -9.644  -2.688
   51    H29  28J   5          HD12      28J   5  -4.668  -9.599  -0.940
   52    H30  28J   5          HD13      28J   5  -4.528 -11.127  -1.810
   53    H    ILE   6           HN       ILE   6  -4.920  -7.337  -0.504
   54    HA   ILE   6           HA       ILE   6  -4.588  -4.405  -0.576
   55    HB   ILE   6           HB       ILE   6  -5.723  -4.811  -2.563
   56   HG12  ILE   6          HG12      ILE   6  -8.123  -4.850  -0.748
   57   HG13  ILE   6          HG11      ILE   6  -7.127  -3.413  -0.918
   58   HG21  ILE   6          HG21      ILE   6  -7.301  -6.966  -1.198
   59   HG22  ILE   6          HG22      ILE   6  -5.887  -7.217  -2.225
   60   HG23  ILE   6          HG23      ILE   6  -7.367  -6.543  -2.909
   61   HD11  ILE   6          HD11      ILE   6  -7.707  -3.428  -3.313
   62   HD12  ILE   6          HD12      ILE   6  -9.046  -3.263  -2.263
   63   HD13  ILE   6          HD13      ILE   6  -8.758  -4.785  -3.004
   64    H    SER   7           HN       SER   7  -5.085  -3.492   1.257
   65    HA   SER   7           HA       SER   7  -7.518  -4.337   2.616
   66    HB2  SER   7           HB2      SER   7  -4.982  -3.488   3.957
   67    HB3  SER   7           HB1      SER   7  -6.493  -3.939   4.759
   68    HG   SER   7           HG       SER   7  -6.237  -5.970   4.123
   69    H    DTH   8           HN       DTC   8  -7.640  -2.689   4.602
   70    HA   DTH   8           HA       DTC   8  -7.359   0.097   3.757
   71    HB   DTH   8           HB       DTC   8  -7.794   0.756   6.061
   72   HG21  DTH   8          HG21      DTC   8  -5.894  -1.624   5.880
   73   HG22  DTH   8          HG22      DTC   8  -5.917  -0.447   7.196
   74   HG23  DTH   8          HG23      DTC   8  -5.507   0.066   5.561
   75    H    ALA   9           HN       ALA   9  -9.716  -2.389   4.207
   76    HA   ALA   9           HA       ALA   9 -11.849  -0.541   3.535
   77    HB1  ALA   9           HB1      ALA   9 -11.875  -3.509   3.934
   78    HB2  ALA   9           HB2      ALA   9 -11.666  -2.686   2.395
   79    HB3  ALA   9           HB3      ALA   9 -13.184  -2.547   3.277
   80    H    LEU  10           HN       LEU  10 -11.794  -3.268   5.926
   81    HA   LEU  10           HA       LEU  10 -13.640  -1.822   7.641
   82    HB2  LEU  10           HB2      LEU  10 -12.092  -4.178   8.616
   83    HB3  LEU  10           HB1      LEU  10 -13.750  -3.724   8.947
   84    HG   LEU  10           HG       LEU  10 -14.119  -5.563   7.673
   85   HD11  LEU  10          HD11      LEU  10 -13.809  -3.379   5.645
   86   HD12  LEU  10          HD12      LEU  10 -15.251  -3.795   6.568
   87   HD13  LEU  10          HD13      LEU  10 -14.636  -4.907   5.346
   88   HD21  LEU  10          HD21      LEU  10 -11.439  -5.066   6.604
   89   HD22  LEU  10          HD22      LEU  10 -12.567  -5.744   5.433
   90   HD23  LEU  10          HD23      LEU  10 -12.253  -6.591   6.950
   91    H    ILE  11           HN       ILE  11 -10.270  -2.635   7.491
   92    HA   ILE  11           HA       ILE  11  -9.807  -0.783   9.773
   93    HB   ILE  11           HB       ILE  11  -7.717  -2.052  10.293
   94   HG12  ILE  11          HG12      ILE  11  -8.840  -4.305   8.628
   95   HG13  ILE  11          HG11      ILE  11  -7.685  -3.164   7.948
   96   HG21  ILE  11          HG21      ILE  11 -10.284  -3.632  10.431
   97   HG22  ILE  11          HG22      ILE  11  -9.726  -2.436  11.601
   98   HG23  ILE  11          HG23      ILE  11  -8.840  -3.947  11.393
   99   HD11  ILE  11          HD11      ILE  11  -7.225  -4.943  10.336
  100   HD12  ILE  11          HD12      ILE  11  -6.062  -3.799   9.666
  101   HD13  ILE  11          HD13      ILE  11  -6.582  -5.187   8.711
  102    H    ZAE   1           HN1      DPH   1  -9.831   4.591   1.440
  103    HA   ZAE   1           HA       DPH   1  -9.919   3.114  -0.379
  104    HB2  ZAE   1           HB1      DPH   1 -10.875   1.519   1.945
  105    HB3  ZAE   1           HB2      DPH   1 -11.524   3.129   1.679
  106    HD1  ZAE   1           HD1      DPH   1 -12.088   3.504  -0.941
  107    HD2  ZAE   1           HD2      DPH   1 -12.181  -0.156   1.202
  108    HE1  ZAE   1           HE1      DPH   1 -13.736   2.643  -2.532
  109    HE2  ZAE   1           HE2      DPH   1 -13.818  -1.042  -0.397
  110    HZ   ZAE   1           HZ       DPH   1 -14.597   0.368  -2.274
  111    H11  ZAE   1          HN11      DPH   1 -10.025   2.952   3.153
  112    H12  ZAE   1          HN12      DPH   1  -8.720   4.105   3.455
  113    H13  ZAE   1          HN13      DPH   1  -8.349   2.488   2.854
  114    HN2  ZAE   1           HN2      DPH   1  -8.256   4.079   1.051
  115    H    ILE   2           HN       ILE   2  -7.441   2.695  -0.431
  116    HA   ILE   2           HA       ILE   2  -7.164  -0.187   0.080
  117    HB   ILE   2           HB       ILE   2  -7.557   0.451  -2.336
  118   HG12  ILE   2          HG12      ILE   2  -5.034  -1.020  -1.638
  119   HG13  ILE   2          HG11      ILE   2  -6.654  -1.708  -1.636
  120   HG21  ILE   2          HG21      ILE   2  -4.703   1.463  -2.185
  121   HG22  ILE   2          HG22      ILE   2  -6.128   2.459  -2.471
  122   HG23  ILE   2          HG23      ILE   2  -5.643   1.256  -3.660
  123   HD11  ILE   2          HD11      ILE   2  -5.089  -0.683  -3.958
  124   HD12  ILE   2          HD12      ILE   2  -6.769  -1.217  -4.034
  125   HD13  ILE   2          HD13      ILE   2  -5.500  -2.359  -3.585
  126    H    SER   3           HN       SER   3  -5.561  -0.867   1.218
  127    HA   SER   3           HA       SER   3  -3.044   0.597   1.161
  128    HB2  SER   3           HB2      SER   3  -4.472  -0.065   3.740
  129    HB3  SER   3           HB1      SER   3  -2.859   0.631   3.599
  130    HG   SER   3           HG       SER   3  -4.530   2.150   2.192
  131    H    DAR   4           HN       DAR   4  -1.357  -0.587   1.385
  132    HA   DAR   4           HA       DAR   4  -1.599  -3.506   1.592
  133    HB2  DAR   4           HB1      DAR   4  -0.087  -1.699   3.421
  134    HB3  DAR   4           HB2      DAR   4   0.709  -3.174   2.908
  135    HG2  DAR   4           HG1      DAR   4  -0.794  -4.533   4.007
  136    HG3  DAR   4           HG2      DAR   4  -2.024  -3.265   4.073
  137    HD2  DAR   4           HD1      DAR   4   0.610  -3.096   5.498
  138    HD3  DAR   4           HD2      DAR   4  -0.854  -3.743   6.233
  139    HE   DAR   4           HE       DAR   4  -0.808  -1.031   5.145
  140   HH11  DAR   4          HH21      DAR   4  -2.075   0.121   8.226
  141   HH12  DAR   4          HH22      DAR   4  -1.691   0.571   6.529
  142   HH21  DAR   4          HH11      DAR   4  -1.901  -2.057   8.911
  143   HH22  DAR   4          HH12      DAR   4  -1.333  -3.318   7.759
  144    HA   28J   5           HA       28J   5   1.981  -2.905  -0.906
  145    H22  28J   5           HB       28J   5   1.157  -3.691  -3.321
  146    H23  28J   5          HG21      28J   5  -0.983  -4.550  -2.541
  147    H24  28J   5          HG22      28J   5  -1.230  -3.144  -3.578
  148    H25  28J   5          HG23      28J   5  -1.370  -2.985  -1.827
  149    H26  28J   5          HG11      28J   5   1.873  -1.433  -2.307
  150    H27  28J   5          HG12      28J   5   0.149  -1.126  -2.140
  151    H28  28J   5          HD11      28J   5  -0.163  -1.306  -4.506
  152    H29  28J   5          HD12      28J   5   1.525  -1.770  -4.727
  153    H30  28J   5          HD13      28J   5   1.121  -0.148  -4.162
  154    H    ILE   6           HN       ILE   6   3.655  -4.150  -1.992
  155    HA   ILE   6           HA       ILE   6   3.220  -7.058  -1.803
  156    HB   ILE   6           HB       ILE   6   3.978  -7.651  -3.935
  157   HG12  ILE   6          HG12      ILE   6   4.546  -5.142  -5.220
  158   HG13  ILE   6          HG11      ILE   6   5.527  -5.282  -3.773
  159   HG21  ILE   6          HG21      ILE   6   2.675  -6.386  -5.571
  160   HG22  ILE   6          HG22      ILE   6   2.380  -5.148  -4.351
  161   HG23  ILE   6          HG23      ILE   6   1.732  -6.776  -4.131
  162   HD11  ILE   6          HD11      ILE   6   6.559  -7.257  -4.631
  163   HD12  ILE   6          HD12      ILE   6   6.607  -6.051  -5.852
  164   HD13  ILE   6          HD13      ILE   6   5.450  -7.324  -5.965
  165    H    SER   7           HN       SER   7   4.732  -8.078  -0.891
  166    HA   SER   7           HA       SER   7   7.491  -7.325  -1.252
  167    HB2  SER   7           HB2      SER   7   7.634  -7.313   1.318
  168    HB3  SER   7           HB1      SER   7   7.055  -5.880   0.458
  169    HG   SER   7           HG       SER   7   4.993  -7.341   0.799
  170    H    DTH   8           HN       DTC   8   8.830  -8.470   0.435
  171    HA   DTH   8           HA       DTC   8   8.143 -11.315   0.739
  172    HB   DTH   8           HB       DTC   8   9.584 -11.398   2.716
  173   HG21  DTH   8          HG21      DTC   8   8.262  -9.864   4.180
  174   HG22  DTH   8          HG22      DTC   8   7.218 -10.699   3.025
  175   HG23  DTH   8          HG23      DTC   8   7.677  -9.020   2.748
  176    H    ALA   9           HN       ALA   9  10.324  -9.027  -0.649
  177    HA   ALA   9           HA       ALA   9  12.261 -11.067  -1.521
  178    HB1  ALA   9           HB1      ALA   9  13.184  -9.358  -2.991
  179    HB2  ALA   9           HB2      ALA   9  12.178  -8.126  -2.242
  180    HB3  ALA   9           HB3      ALA   9  11.438  -9.409  -3.199
  181    H    LEU  10           HN       LEU  10  12.227  -7.844  -0.269
  182    HA   LEU  10           HA       LEU  10  14.971  -8.088   0.688
  183    HB2  LEU  10           HB2      LEU  10  12.970  -5.850   1.095
  184    HB3  LEU  10           HB1      LEU  10  14.652  -5.805   1.589
  185    HG   LEU  10           HG       LEU  10  15.403  -5.845  -0.706
  186   HD11  LEU  10          HD11      LEU  10  14.094  -7.100  -2.020
  187   HD12  LEU  10          HD12      LEU  10  13.364  -5.538  -2.391
  188   HD13  LEU  10          HD13      LEU  10  12.608  -6.605  -1.209
  189   HD21  LEU  10          HD21      LEU  10  13.239  -3.843  -0.132
  190   HD22  LEU  10          HD22      LEU  10  14.201  -3.790  -1.607
  191   HD23  LEU  10          HD23      LEU  10  14.987  -3.626  -0.036
  192    H    ILE  11           HN       ILE  11  11.753  -7.655   2.024
  193    HA   ILE  11           HA       ILE  11  12.796  -8.905   4.507
  194    HB   ILE  11           HB       ILE  11  10.979  -7.558   5.742
  195   HG12  ILE  11          HG12      ILE  11  11.055  -5.177   4.340
  196   HG13  ILE  11          HG11      ILE  11  10.828  -6.358   3.055
  197   HG21  ILE  11          HG21      ILE  11  13.417  -6.194   4.611
  198   HG22  ILE  11          HG22      ILE  11  13.341  -7.178   6.073
  199   HG23  ILE  11          HG23      ILE  11  12.501  -5.628   6.008
  200   HD11  ILE  11          HD11      ILE  11   8.844  -7.215   4.214
  201   HD12  ILE  11          HD12      ILE  11   8.701  -5.498   3.835
  202   HD13  ILE  11          HD13      ILE  11   9.074  -6.009   5.481
  203    H    ZAE   1           HN1      DPH   1   9.229  -4.744   0.279
  204    HA   ZAE   1           HA       DPH   1   8.975  -3.555  -1.808
  205    HB2  ZAE   1           HB1      DPH   1  10.246  -1.751   0.240
  206    HB3  ZAE   1           HB2      DPH   1  10.974  -3.279  -0.236
  207    HD1  ZAE   1           HD1      DPH   1  12.981  -2.161  -1.062
  208    HD2  ZAE   1           HD2      DPH   1   9.146  -1.244  -2.652
  209    HE1  ZAE   1           HE1      DPH   1  14.050  -0.962  -2.924
  210    HE2  ZAE   1           HE2      DPH   1  10.219  -0.102  -4.526
  211    HZ   ZAE   1           HZ       DPH   1  12.664   0.073  -4.665
  212    H11  ZAE   1          HN11      DPH   1   8.082  -4.020   2.238
  213    H12  ZAE   1          HN12      DPH   1   7.690  -2.510   1.414
  214    H13  ZAE   1          HN13      DPH   1   9.370  -2.905   1.774
  215    HN2  ZAE   1           HN2      DPH   1   7.601  -4.424  -0.083
  216    H    ILE   2           HN       ILE   2   6.534  -3.079  -1.658
  217    HA   ILE   2           HA       ILE   2   6.319  -0.171  -1.310
  218    HB   ILE   2           HB       ILE   2   6.256  -0.970  -3.695
  219   HG12  ILE   2          HG12      ILE   2   3.763   0.423  -2.736
  220   HG13  ILE   2          HG11      ILE   2   5.341   1.192  -2.853
  221   HG21  ILE   2          HG21      ILE   2   3.926  -1.818  -4.399
  222   HG22  ILE   2          HG22      ILE   2   3.762  -2.314  -2.713
  223   HG23  ILE   2          HG23      ILE   2   5.072  -2.959  -3.699
  224   HD11  ILE   2          HD11      ILE   2   4.002   1.770  -4.742
  225   HD12  ILE   2          HD12      ILE   2   3.733   0.067  -5.111
  226   HD13  ILE   2          HD13      ILE   2   5.350   0.756  -5.260
  227    H    SER   3           HN       SER   3   4.897   0.547  -0.017
  228    HA   SER   3           HA       SER   3   2.535  -0.970   0.628
  229    HB2  SER   3           HB2      SER   3   4.448  -0.080   2.775
  230    HB3  SER   3           HB1      SER   3   2.853  -0.771   3.043
  231    HG   SER   3           HG       SER   3   4.229  -2.415   1.463
  232    H    DAR   4           HN       DAR   4   0.889   0.188   1.250
  233    HA   DAR   4           HA       DAR   4   1.165   3.102   1.004
  234    HB2  DAR   4           HB1      DAR   4   0.115   1.561   3.298
  235    HB3  DAR   4           HB2      DAR   4  -0.858   2.930   2.785
  236    HG2  DAR   4           HG1      DAR   4   0.826   4.467   3.277
  237    HG3  DAR   4           HG2      DAR   4   2.070   3.214   3.319
  238    HD2  DAR   4           HD1      DAR   4  -0.199   3.451   5.281
  239    HD3  DAR   4           HD2      DAR   4   1.440   4.034   5.565
  240    HE   DAR   4           HE       DAR   4   0.890   1.198   5.026
  241   HH11  DAR   4          HH21      DAR   4   2.917   0.354   7.772
  242   HH12  DAR   4          HH22      DAR   4   1.914  -0.284   6.422
  243   HH21  DAR   4          HH11      DAR   4   3.119   2.622   8.088
  244   HH22  DAR   4          HH12      DAR   4   2.292   3.762   6.968
  245    HA   28J   5           HA       28J   5  -2.729   2.397  -0.872
  246    H22  28J   5           HB       28J   5  -2.309   3.115  -3.405
  247    H23  28J   5          HG21      28J   5   0.450   2.631  -2.302
  248    H24  28J   5          HG22      28J   5  -0.143   4.086  -3.104
  249    H25  28J   5          HG23      28J   5   0.042   2.589  -4.017
  250    H26  28J   5          HG11      28J   5  -2.606   0.779  -2.158
  251    H27  28J   5          HG12      28J   5  -0.909   0.608  -2.594
  252    H28  28J   5          HD11      28J   5  -1.499   0.988  -4.950
  253    H29  28J   5          HD12      28J   5  -3.200   1.071  -4.489
  254    H30  28J   5          HD13      28J   5  -2.296  -0.427  -4.263
  255    H    ILE   6           HN       ILE   6  -4.492   3.626  -1.497
  256    HA   ILE   6           HA       ILE   6  -4.094   6.520  -1.363
  257    HB   ILE   6           HB       ILE   6  -4.086   6.841  -3.545
  258   HG12  ILE   6          HG12      ILE   6  -6.908   5.790  -3.529
  259   HG13  ILE   6          HG11      ILE   6  -6.424   7.447  -3.190
  260   HG21  ILE   6          HG21      ILE   6  -3.373   4.604  -4.051
  261   HG22  ILE   6          HG22      ILE   6  -4.501   5.151  -5.291
  262   HG23  ILE   6          HG23      ILE   6  -5.037   4.024  -4.043
  263   HD11  ILE   6          HD11      ILE   6  -5.486   7.471  -5.544
  264   HD12  ILE   6          HD12      ILE   6  -7.243   7.428  -5.378
  265   HD13  ILE   6          HD13      ILE   6  -6.355   5.957  -5.783
  266    H    SER   7           HN       SER   7  -5.565   7.445  -0.110
  267    HA   SER   7           HA       SER   7  -8.310   6.476  -0.239
  268    HB2  SER   7           HB2      SER   7  -7.094   6.774   2.455
  269    HB3  SER   7           HB1      SER   7  -8.497   5.825   1.952
  270    HG   SER   7           HG       SER   7  -5.969   5.245   0.958
  271    H    DTH   8           HN       DTC   8  -9.841   7.832   0.678
  272    HA   DTH   8           HA       DTC   8  -9.089  10.642   0.831
  273    HB   DTH   8           HB       DTC   8 -10.285  11.030   2.984
  274   HG21  DTH   8          HG21      DTC   8  -8.609   9.930   4.433
  275   HG22  DTH   8          HG22      DTC   8  -7.842  10.571   2.979
  276   HG23  DTH   8          HG23      DTC   8  -8.170   8.844   3.115
  277    H    ALA   9           HN       ALA   9 -11.539   8.233   0.260
  278    HA   ALA   9           HA       ALA   9 -13.569  10.203  -0.482
  279    HB1  ALA   9           HB1      ALA   9 -14.901   8.236  -1.237
  280    HB2  ALA   9           HB2      ALA   9 -13.607   7.184  -0.679
  281    HB3  ALA   9           HB3      ALA   9 -13.318   8.305  -2.006
  282    H    LEU  10           HN       LEU  10 -13.848   7.073   0.960
  283    HA   LEU  10           HA       LEU  10 -16.070   7.868   2.605
  284    HB2  LEU  10           HB2      LEU  10 -15.400   5.557   3.761
  285    HB3  LEU  10           HB1      LEU  10 -16.284   5.641   2.249
  286    HG   LEU  10           HG       LEU  10 -14.300   3.996   2.441
  287   HD11  LEU  10          HD11      LEU  10 -13.789   4.276   0.095
  288   HD12  LEU  10          HD12      LEU  10 -14.493   5.893   0.125
  289   HD13  LEU  10          HD13      LEU  10 -15.514   4.482   0.399
  290   HD21  LEU  10          HD21      LEU  10 -12.735   5.791   3.308
  291   HD22  LEU  10          HD22      LEU  10 -12.723   6.433   1.667
  292   HD23  LEU  10          HD23      LEU  10 -12.124   4.804   1.978
  293    H    ILE  11           HN       ILE  11 -12.644   7.574   2.976
  294    HA   ILE  11           HA       ILE  11 -13.004   8.700   5.704
  295    HB   ILE  11           HB       ILE  11 -11.039   7.525   6.548
  296   HG12  ILE  11          HG12      ILE  11 -10.965   5.768   4.113
  297   HG13  ILE  11          HG11      ILE  11 -10.087   7.294   4.090
  298   HG21  ILE  11          HG21      ILE  11 -11.966   5.296   6.678
  299   HG22  ILE  11          HG22      ILE  11 -12.959   5.596   5.251
  300   HG23  ILE  11          HG23      ILE  11 -13.267   6.485   6.742
  301   HD11  ILE  11          HD11      ILE  11  -9.637   4.892   5.824
  302   HD12  ILE  11          HD12      ILE  11  -8.995   6.476   6.257
  303   HD13  ILE  11          HD13      ILE  11  -8.508   5.711   4.745
  304    H    ZAE   1           HN1      DPH   1  -9.399  15.851   0.104
  305    HA   ZAE   1           HA       DPH   1  -8.816  14.799  -2.003
  306    HB2  ZAE   1           HB1      DPH   1 -10.920  13.054  -0.780
  307    HB3  ZAE   1           HB2      DPH   1 -11.195  14.789  -0.878
  308    HD1  ZAE   1           HD1      DPH   1 -10.695  15.833  -3.280
  309    HD2  ZAE   1           HD2      DPH   1 -11.638  11.746  -2.512
  310    HE1  ZAE   1           HE1      DPH   1 -11.454  15.571  -5.616
  311    HE2  ZAE   1           HE2      DPH   1 -12.405  11.484  -4.829
  312    HZ   ZAE   1           HZ       DPH   1 -12.311  13.389  -6.389
  313    H11  ZAE   1          HN11      DPH   1  -8.702  13.255   1.302
  314    H12  ZAE   1          HN12      DPH   1 -10.306  13.986   1.265
  315    H13  ZAE   1          HN13      DPH   1  -9.010  14.752   2.184
  316    HN2  ZAE   1           HN2      DPH   1  -7.837  15.199   0.128
  317    H    ILE   2           HN       ILE   2  -6.649  13.768  -1.440
  318    HA   ILE   2           HA       ILE   2  -6.966  10.849  -1.201
  319    HB   ILE   2           HB       ILE   2  -6.470  11.418  -3.549
  320   HG12  ILE   2          HG12      ILE   2  -4.103  10.155  -2.149
  321   HG13  ILE   2          HG11      ILE   2  -5.567   9.323  -2.648
  322   HG21  ILE   2          HG21      ILE   2  -4.444  12.528  -4.236
  323   HG22  ILE   2          HG22      ILE   2  -3.903  12.654  -2.561
  324   HG23  ILE   2          HG23      ILE   2  -5.318  13.556  -3.100
  325   HD11  ILE   2          HD11      ILE   2  -5.037   9.604  -4.941
  326   HD12  ILE   2          HD12      ILE   2  -3.610   8.971  -4.122
  327   HD13  ILE   2          HD13      ILE   2  -3.691  10.678  -4.558
  328    H    SER   3           HN       SER   3  -5.394   9.788   0.002
  329    HA   SER   3           HA       SER   3  -3.107  11.253   0.970
  330    HB2  SER   3           HB2      SER   3  -5.131  10.219   2.960
  331    HB3  SER   3           HB1      SER   3  -3.525  10.801   3.364
  332    HG   SER   3           HG       SER   3  -4.865  12.614   1.891
  333    H    DAR   4           HN       DAR   4  -1.433  10.018   1.640
  334    HA   DAR   4           HA       DAR   4  -1.695   7.165   1.014
  335    HB2  DAR   4           HB1      DAR   4  -0.537   8.468   3.427
  336    HB3  DAR   4           HB2      DAR   4   0.137   6.947   2.853
  337    HG2  DAR   4           HG1      DAR   4  -1.831   5.791   3.241
  338    HG3  DAR   4           HG2      DAR   4  -2.795   7.270   3.298
  339    HD2  DAR   4           HD1      DAR   4  -0.669   6.575   5.311
  340    HD3  DAR   4           HD2      DAR   4  -2.379   6.188   5.524
  341    HE   DAR   4           HE       DAR   4  -1.255   8.897   5.338
  342   HH11  DAR   4          HH21      DAR   4  -3.807  10.042   7.462
  343   HH12  DAR   4          HH22      DAR   4  -2.288  10.481   6.603
  344   HH21  DAR   4          HH11      DAR   4  -4.627   7.905   7.335
  345   HH22  DAR   4          HH12      DAR   4  -3.856   6.711   6.228
  346    HA   28J   5           HA       28J   5   2.221   8.010  -0.689
  347    H22  28J   5           HB       28J   5   1.934   7.314  -3.285
  348    H23  28J   5          HG21      28J   5  -0.832   8.079  -2.356
  349    H24  28J   5          HG22      28J   5  -0.347   6.482  -2.926
  350    H25  28J   5          HG23      28J   5  -0.322   7.857  -4.030
  351    H26  28J   5          HG11      28J   5   1.060   9.854  -1.889
  352    H27  28J   5          HG12      28J   5   1.130   9.714  -3.642
  353    H28  28J   5          HD11      28J   5   3.508   9.280  -3.546
  354    H29  28J   5          HD12      28J   5   3.465   9.335  -1.784
  355    H30  28J   5          HD13      28J   5   3.120  10.789  -2.720
  356    H    ILE   6           HN       ILE   6   3.900   6.816  -1.774
  357    HA   ILE   6           HA       ILE   6   3.635   3.890  -1.525
  358    HB   ILE   6           HB       ILE   6   5.111   3.660  -3.381
  359   HG12  ILE   6          HG12      ILE   6   5.168   6.578  -3.962
  360   HG13  ILE   6          HG11      ILE   6   6.285   5.954  -2.758
  361   HG21  ILE   6          HG21      ILE   6   2.738   3.935  -3.878
  362   HG22  ILE   6          HG22      ILE   6   3.744   4.573  -5.183
  363   HG23  ILE   6          HG23      ILE   6   2.974   5.673  -4.041
  364   HD11  ILE   6          HD11      ILE   6   7.135   4.394  -4.448
  365   HD12  ILE   6          HD12      ILE   6   7.349   6.093  -4.880
  366   HD13  ILE   6          HD13      ILE   6   6.056   5.145  -5.623
  367    H    SER   7           HN       SER   7   4.980   2.890  -0.134
  368    HA   SER   7           HA       SER   7   7.706   3.887   0.322
  369    HB2  SER   7           HB2      SER   7   5.835   3.384   2.649
  370    HB3  SER   7           HB1      SER   7   7.505   3.959   2.728
  371    HG   SER   7           HG       SER   7   6.506   5.687   1.239
  372    H    DTH   8           HN       DTC   8   8.972   2.408   1.711
  373    HA   DTH   8           HA       DTC   8   8.320  -0.428   1.413
  374    HB   DTH   8           HB       DTC   8   8.818  -1.084   3.701
  375   HG21  DTH   8          HG21      DTC   8   6.497  -0.461   3.485
  376   HG22  DTH   8          HG22      DTC   8   6.875   1.253   3.678
  377   HG23  DTH   8          HG23      DTC   8   7.088   0.143   5.031
  378    H    ALA   9           HN       ALA   9  10.398   2.041   0.945
  379    HA   ALA   9           HA       ALA   9  12.606   0.641   0.435
  380    HB1  ALA   9           HB1      ALA   9  11.816   3.039  -0.271
  381    HB2  ALA   9           HB2      ALA   9  13.524   2.635  -0.263
  382    HB3  ALA   9           HB3      ALA   9  12.827   3.535   1.082
  383    H    LEU  10           HN       LEU  10  12.637   3.170   2.628
  384    HA   LEU  10           HA       LEU  10  14.529   2.199   4.446
  385    HB2  LEU  10           HB2      LEU  10  12.451   4.299   5.098
  386    HB3  LEU  10           HB1      LEU  10  14.059   4.130   5.768
  387    HG   LEU  10           HG       LEU  10  14.392   5.904   4.351
  388   HD11  LEU  10          HD11      LEU  10  15.612   5.117   2.447
  389   HD12  LEU  10          HD12      LEU  10  14.787   3.558   2.516
  390   HD13  LEU  10          HD13      LEU  10  15.883   4.035   3.812
  391   HD21  LEU  10          HD21      LEU  10  12.839   6.549   2.884
  392   HD22  LEU  10          HD22      LEU  10  11.995   5.016   3.113
  393   HD23  LEU  10          HD23      LEU  10  13.223   5.174   1.862
  394    H    ILE  11           HN       ILE  11  11.013   2.545   4.810
  395    HA   ILE  11           HA       ILE  11  11.147   0.646   7.104
  396    HB   ILE  11           HB       ILE  11   9.123   1.751   8.097
  397   HG12  ILE  11          HG12      ILE  11   9.229   4.370   7.171
  398   HG13  ILE  11          HG11      ILE  11   9.326   3.424   5.691
  399   HG21  ILE  11          HG21      ILE  11  11.353   3.750   7.844
  400   HG22  ILE  11          HG22      ILE  11  11.513   2.257   8.769
  401   HG23  ILE  11          HG23      ILE  11  10.299   3.451   9.226
  402   HD11  ILE  11          HD11      ILE  11   7.242   2.279   6.289
  403   HD12  ILE  11          HD12      ILE  11   7.022   4.027   6.222
  404   HD13  ILE  11          HD13      ILE  11   7.157   3.215   7.781
  405    H1   ALA   1           HN       ALA   1 -14.669 -12.125   4.597
  406    HA   ALA   1           HA       ALA   1 -16.380 -13.431   6.449
  407    HB1  ALA   1           HB1      ALA   1 -15.319 -12.199   8.172
  408    HB2  ALA   1           HB2      ALA   1 -16.984 -11.604   7.956
  409    HB3  ALA   1           HB3      ALA   1 -15.615 -10.696   7.305
  410    H    DGL   2           HN       DGL   2 -17.113 -10.068   6.548
  411    HA   DGL   2           HA       DGL   2 -18.460  -8.685   5.327
  412    HB2  DGL   2           HB1      DGL   2 -20.309 -10.253   4.013
  413    HB3  DGL   2           HB2      DGL   2 -20.531  -9.564   5.603
  414    HG2  DGL   2           HG1      DGL   2 -20.665 -11.606   6.551
  415    HG3  DGL   2           HG2      DGL   2 -19.107 -12.132   5.889
  416    H    LYS   3           HN       LYS   3 -20.093 -11.733   3.141
  417    HA   LYS   3           HA       LYS   3 -20.974 -12.809   1.502
  418    HB2  LYS   3           HB2      LYS   3 -20.201 -14.844   3.384
  419    HB3  LYS   3           HB1      LYS   3 -21.406 -15.424   2.219
  420    HG2  LYS   3           HG2      LYS   3 -18.706 -14.208   1.692
  421    HG3  LYS   3           HG1      LYS   3 -19.308 -15.778   1.179
  422    HD2  LYS   3           HD2      LYS   3 -19.741 -14.846  -0.847
  423    HD3  LYS   3           HD1      LYS   3 -21.010 -13.994  -0.004
  424    HE2  LYS   3           HE2      LYS   3 -18.365 -12.692  -0.305
  425    HE3  LYS   3           HE1      LYS   3 -20.008 -12.519  -1.348
  426    HZ1  LYS   3           HZ1      LYS   3 -19.747 -11.280   1.232
  427    HZ2  LYS   3           HZ2      LYS   3 -20.790 -11.072   0.027
  428    HZ3  LYS   3           HZ3      LYS   3 -19.180 -10.614  -0.225
  429    H    DAL   4           HN       DAL   4 -22.471 -11.391   3.233
  430    HA   DAL   4           HA       DAL   4 -24.947 -10.618   3.843
  431    HB1  DAL   4           HB1      DAL   4 -25.683 -12.519   4.585
  432    HB2  DAL   4           HB2      DAL   4 -26.220 -12.947   2.960
  433    HB3  DAL   4           HB3      DAL   4 -26.872 -11.451   3.777
  434    H    DAL   5           HN       DAL   5 -22.912  -9.520   2.356
  435    HA   DAL   5           HA       DAL   5 -22.478  -7.558   0.699
  436    HB1  DAL   5           HB1      DAL   5 -25.347  -8.396   0.334
  437    HB2  DAL   5           HB2      DAL   5 -24.669  -7.057  -0.547
  438    HB3  DAL   5           HB3      DAL   5 -24.945  -6.907   1.213
  439    H1   ALA   1           HN       ALA   1  16.252  -2.803  -6.810
  440    HA   ALA   1           HA       ALA   1  17.532  -0.628  -8.093
  441    HB1  ALA   1           HB1      ALA   1  15.425   0.541  -7.762
  442    HB2  ALA   1           HB2      ALA   1  16.761   1.293  -6.855
  443    HB3  ALA   1           HB3      ALA   1  15.577   0.273  -6.030
  444    H    DGL   2           HN       DGL   2  19.281   0.194  -6.858
  445    HA   DGL   2           HA       DGL   2  20.553   0.441  -4.936
  446    HB2  DGL   2           HB1      DGL   2  21.381  -1.906  -4.135
  447    HB3  DGL   2           HB2      DGL   2  21.667  -1.548  -5.826
  448    HG2  DGL   2           HG1      DGL   2  20.653  -3.544  -6.370
  449    HG3  DGL   2           HG2      DGL   2  19.098  -2.953  -5.758
  450    H    LYS   3           HN       LYS   3  18.566  -3.522  -3.574
  451    HA   LYS   3           HA       LYS   3  18.294  -4.821  -1.877
  452    HB2  LYS   3           HB2      LYS   3  18.235  -6.403  -3.895
  453    HB3  LYS   3           HB1      LYS   3  19.677  -7.120  -3.153
  454    HG2  LYS   3           HG2      LYS   3  17.892  -6.677  -1.032
  455    HG3  LYS   3           HG1      LYS   3  16.872  -7.248  -2.346
  456    HD2  LYS   3           HD2      LYS   3  17.427  -9.230  -1.156
  457    HD3  LYS   3           HD1      LYS   3  18.460  -9.158  -2.562
  458    HE2  LYS   3           HE1      LYS   3  19.565 -10.017  -0.466
  459    HE3  LYS   3           HE2      LYS   3  20.319  -8.634  -1.621
  460    HZ1  LYS   3           HZ1      LYS   3  20.919  -8.841   0.915
  461    HZ2  LYS   3           HZ2      LYS   3  19.591  -7.780   0.973
  462    HZ3  LYS   3           HZ3      LYS   3  20.853  -7.490  -0.112
  463    H    DAL   4           HN       DAL   4  19.961  -3.099  -1.545
  464    HA   DAL   4           HA       DAL   4  21.333  -2.055   0.440
  465    HB1  DAL   4           HB1      DAL   4  22.699  -1.620  -1.214
  466    HB2  DAL   4           HB2      DAL   4  23.619  -3.071  -0.808
  467    HB3  DAL   4           HB3      DAL   4  23.394  -1.751   0.433
  468    H    DAL   5           HN       DAL   5  19.333  -3.506   1.343
  469    HA   DAL   5           HA       DAL   5  18.371  -4.792   3.391
  470    HB1  DAL   5           HB1      DAL   5  21.324  -4.397   3.792
  471    HB2  DAL   5           HB2      DAL   5  20.325  -5.115   5.023
  472    HB3  DAL   5           HB3      DAL   5  20.140  -3.379   4.636
  473    H1   ALA   1           HN       ALA   1 -14.344   2.216  -6.404
  474    HA   ALA   1           HA       ALA   1 -16.478   0.341  -6.239
  475    HB1  ALA   1           HB1      ALA   1 -16.573   2.428  -4.084
  476    HB2  ALA   1           HB2      ALA   1 -16.452   0.665  -3.864
  477    HB3  ALA   1           HB3      ALA   1 -17.895   1.381  -4.586
  478    H    DGL   2           HN       DGL   2 -15.831   3.836  -5.661
  479    HA   DGL   2           HA       DGL   2 -16.527   5.791  -6.688
  480    HB2  DGL   2           HB1      DGL   2 -18.859   4.371  -6.690
  481    HB3  DGL   2           HB2      DGL   2 -18.645   4.203  -8.433
  482    HG2  DGL   2           HG1      DGL   2 -20.224   6.074  -7.977
  483    HG3  DGL   2           HG2      DGL   2 -18.740   6.766  -8.650
  484    H    LYS   3           HN       LYS   3 -17.322   7.798  -7.135
  485    HA   LYS   3           HA       LYS   3 -16.794   9.185  -5.585
  486    HB2  LYS   3           HB2      LYS   3 -19.152   9.983  -6.449
  487    HB3  LYS   3           HB1      LYS   3 -19.532   9.832  -4.724
  488    HG2  LYS   3           HG2      LYS   3 -17.269  11.079  -4.373
  489    HG3  LYS   3           HG1      LYS   3 -17.395  11.492  -6.077
  490    HD2  LYS   3           HD2      LYS   3 -19.664  12.578  -5.492
  491    HD3  LYS   3           HD1      LYS   3 -19.229  12.246  -3.834
  492    HE2  LYS   3           HE1      LYS   3 -17.393  13.984  -5.344
  493    HE3  LYS   3           HE2      LYS   3 -18.986  14.487  -4.332
  494    HZ1  LYS   3           HZ1      LYS   3 -16.401  13.860  -3.173
  495    HZ2  LYS   3           HZ2      LYS   3 -17.801  14.168  -2.445
  496    HZ3  LYS   3           HZ3      LYS   3 -17.145  15.362  -3.449
  497    H    DAL   4           HN       DAL   4 -18.088   9.858  -3.294
  498    HA   DAL   4           HA       DAL   4 -17.147   8.281  -0.835
  499    HB1  DAL   4           HB1      DAL   4 -19.783   7.425  -0.896
  500    HB2  DAL   4           HB2      DAL   4 -18.507   7.261   0.313
  501    HB3  DAL   4           HB3      DAL   4 -18.357   6.417  -1.297
  502    H    DAL   5           HN       DAL   5 -16.408  10.105   0.062
  503    HA   DAL   5           HA       DAL   5 -16.181  12.405   1.247
  504    HB1  DAL   5           HB1      DAL   5 -19.105  11.776   0.908
  505    HB2  DAL   5           HB2      DAL   5 -18.574  13.168   1.807
  506    HB3  DAL   5           HB3      DAL   5 -18.300  11.530   2.470
  507    H1   ALA   1           HN       ALA   1  14.034   7.868   7.775
  508    HA   ALA   1           HA       ALA   1  15.634   6.667   9.783
  509    HB1  ALA   1           HB1      ALA   1  14.612   4.586   9.108
  510    HB2  ALA   1           HB2      ALA   1  16.357   4.602   8.750
  511    HB3  ALA   1           HB3      ALA   1  15.175   4.856   7.462
  512    H    DGL   2           HN       DGL   2  17.865   6.762   9.314
  513    HA   DGL   2           HA       DGL   2  19.761   7.242   8.047
  514    HB2  DGL   2           HB1      DGL   2  19.598   9.597   6.997
  515    HB3  DGL   2           HB2      DGL   2  19.331   9.514   8.731
  516    HG2  DGL   2           HG1      DGL   2  17.379  10.692   8.434
  517    HG3  DGL   2           HG2      DGL   2  16.667   9.326   7.560
  518    H    LYS   3           HN       LYS   3  16.725   9.423   5.261
  519    HA   LYS   3           HA       LYS   3  16.430  10.308   3.318
  520    HB2  LYS   3           HB2      LYS   3  15.277  12.021   5.025
  521    HB3  LYS   3           HB1      LYS   3  16.269  13.126   4.056
  522    HG2  LYS   3           HG2      LYS   3  14.383  11.029   2.958
  523    HG3  LYS   3           HG1      LYS   3  14.005  12.740   3.095
  524    HD2  LYS   3           HD2      LYS   3  14.663  12.828   0.902
  525    HD3  LYS   3           HD1      LYS   3  16.237  12.864   1.657
  526    HE2  LYS   3           HE1      LYS   3  16.670  11.461  -0.034
  527    HE3  LYS   3           HE2      LYS   3  16.263  10.414   1.562
  528    HZ1  LYS   3           HZ1      LYS   3  15.063  10.151  -1.065
  529    HZ2  LYS   3           HZ2      LYS   3  14.415   9.537   0.384
  530    HZ3  LYS   3           HZ3      LYS   3  15.979   9.106  -0.087
  531    H    DAL   4           HN       DAL   4  18.755   9.622   4.006
  532    HA   DAL   4           HA       DAL   4  21.307   9.486   3.356
  533    HB1  DAL   4           HB1      DAL   4  21.941  11.278   4.264
  534    HB2  DAL   4           HB2      DAL   4  21.508  12.230   2.842
  535    HB3  DAL   4           HB3      DAL   4  22.780  10.926   2.721
  536    H    DAL   5           HN       DAL   5  19.341   7.935   2.445
  537    HA   DAL   5           HA       DAL   5  18.735   6.236   0.577
  538    HB1  DAL   5           HB1      DAL   5  20.846   8.068  -0.547
  539    HB2  DAL   5           HB2      DAL   5  20.253   6.698  -1.442
  540    HB3  DAL   5           HB3      DAL   5  21.274   6.437   0.003
  541    H12  P1W 103           H12      TPL  10  -9.804  -7.369   2.718
  542    H11  P1W 103           H11      TPL  10  -8.461  -6.259   3.009
  543    H2   P1W 103           H2       TPL  10  -9.324  -4.710   1.448
  544    H43  P1W 103           H42      TPL  10 -12.657  -4.123   0.284
  545    H42  P1W 103           H41      TPL  10 -10.989  -3.576   0.238
  546    H51  P1W 103           H51      TPL  10 -13.362  -5.731   1.595
  547    H52  P1W 103           H52      TPL  10 -12.438  -5.812   3.087
  548    H53  P1W 103           H53      TPL  10 -12.322  -7.125   1.916
  549    H12  P1W 104           H12      TPL  11 -10.743  -4.515  -1.743
  550    H11  P1W 104           H11      TPL  11 -11.010  -6.094  -1.010
  551    H2   P1W 104           H2       TPL  11 -13.603  -5.216  -1.217
  552    H43  P1W 104           H42      TPL  11 -14.073  -5.483  -4.859
  553    H42  P1W 104           H41      TPL  11 -14.906  -5.657  -3.313
  554    H51  P1W 104           H51      TPL  11 -12.094  -4.520  -5.097
  555    H52  P1W 104           H52      TPL  11 -10.972  -5.364  -4.031
  556    H53  P1W 104           H53      TPL  11 -11.300  -3.651  -3.786
  557    H12  P1W 105           H12      TPL  11   8.236 -11.562  -6.183
  558    H11  P1W 105           H11      TPL  11   8.218 -11.320  -7.931
  559    H2   P1W 105           H2       TPL  11  10.647 -10.795  -7.896
  560    H43  P1W 105           H42      TPL  11  12.601 -12.883  -6.244
  561    H42  P1W 105           H41      TPL  11  12.846 -11.229  -6.802
  562    H51  P1W 105           H51      TPL  11   9.293 -12.261  -4.732
  563    H52  P1W 105           H52      TPL  11  10.270 -10.973  -4.027
  564    H53  P1W 105           H53      TPL  11  10.888 -12.624  -4.075
  565    H12  P1W 106           H12      TPL  12 -14.056  -2.921  -4.113
  566    H11  P1W 106           H11      TPL  12 -15.411  -3.635  -4.981
  567    H2   P1W 106           H2       TPL  12 -15.320  -3.419  -1.951
  568    H43  P1W 106           H43      TPL  12 -18.970  -2.749  -2.094
  569    H41  P1W 106           H41      TPL  12 -17.782  -1.568  -1.524
  570    H42  P1W 106           H42      TPL  12 -17.668  -3.252  -1.017
  571    H51  P1W 106           H51      TPL  12 -17.209  -1.934  -4.945
  572    H52  P1W 106           H52      TPL  12 -18.748  -2.383  -4.213
  573    H53  P1W 106           H53      TPL  12 -17.735  -3.621  -4.960
  574    H12  P1W 107           H12      TPL  12  13.526 -10.514  -4.762
  575    H11  P1W 107           H11      TPL  12  12.345 -11.498  -3.903
  576    H2   P1W 107           H2       TPL  12  14.051 -13.436  -4.866
  577    H43  P1W 107           H43      TPL  12  17.113 -13.246  -4.013
  578    H41  P1W 107           H41      TPL  12  15.840 -14.303  -3.388
  579    H42  P1W 107           H42      TPL  12  16.668 -13.183  -2.307
  580    H51  P1W 107           H51      TPL  12  16.557 -10.891  -2.603
  581    H52  P1W 107           H52      TPL  12  14.849 -10.661  -2.238
  582    H53  P1W 107           H53      TPL  12  15.502 -10.105  -3.781
  583    H12  P1W 103           H12      TPL  10   8.054  -7.580  -2.863
  584    H11  P1W 103           H11      TPL  10   8.605  -9.219  -2.540
  585    H2   P1W 103           H2       TPL  10   9.711  -7.828  -4.995
  586    H43  P1W 103           H42      TPL  10   7.486  -9.233  -7.318
  587    H42  P1W 103           H41      TPL  10   9.214  -8.925  -7.133
  588    H51  P1W 103           H51      TPL  10   7.079 -10.866  -4.407
  589    H52  P1W 103           H52      TPL  10   6.158  -9.921  -5.570
  590    H53  P1W 103           H53      TPL  10   6.475  -9.263  -3.961
  591    H12  P1W 103           H12      TPL  10 -10.860   8.579  -5.432
  592    H11  P1W 103           H11      TPL  10  -9.448   7.576  -5.723
  593    H2   P1W 103           H2       TPL  10  -8.835  10.069  -4.222
  594    H43  P1W 103           H42      TPL  10  -8.479  12.286  -6.974
  595    H42  P1W 103           H41      TPL  10  -7.856  11.953  -5.357
  596    H51  P1W 103           H51      TPL  10  -9.283   8.831  -7.768
  597    H52  P1W 103           H52      TPL  10  -9.019  10.451  -8.398
  598    H53  P1W 103           H53      TPL  10 -10.529  10.069  -7.564
  599    H12  P1W 103           H12      TPL  10  12.062   5.851  -0.267
  600    H11  P1W 103           H11      TPL  10  12.444   7.448   0.399
  601    H2   P1W 103           H2       TPL  10   9.805   7.437  -0.909
  602    H43  P1W 103           H42      TPL  10  10.228   7.775  -4.174
  603    H42  P1W 103           H41      TPL  10   9.310   8.358  -2.788
  604    H51  P1W 103           H51      TPL  10  12.473   6.602  -3.756
  605    H52  P1W 103           H52      TPL  10  13.235   6.833  -2.185
  606    H53  P1W 103           H53      TPL  10  13.126   8.187  -3.310
  607    H12  P1W 104           H12      TPL  11  -5.947  10.910  -6.171
  608    H11  P1W 104           H11      TPL  11  -6.692  10.464  -7.702
  609    H2   P1W 104           H2       TPL  11  -6.590  13.379  -7.449
  610    H43  P1W 104           H42      TPL  11  -3.253  13.562  -9.183
  611    H42  P1W 104           H41      TPL  11  -4.868  14.262  -9.302
  612    H51  P1W 104           H51      TPL  11  -2.719  11.852  -7.908
  613    H52  P1W 104           H52      TPL  11  -3.857  10.739  -8.666
  614    H53  P1W 104           H53      TPL  11  -3.853  10.938  -6.914
  615    H12  P1W 105           H12      TPL  11  10.596  10.381  -2.693
  616    H11  P1W 105           H11      TPL  11  11.698   9.811  -3.942
  617    H2   P1W 105           H2       TPL  11   9.038  11.052  -4.315
  618    H43  P1W 105           H42      TPL  11   9.519  10.525  -8.027
  619    H42  P1W 105           H41      TPL  11   8.143  10.507  -6.919
  620    H51  P1W 105           H51      TPL  11  11.138   9.356  -7.572
  621    H52  P1W 105           H52      TPL  11  11.464   8.649  -5.990
  622    H53  P1W 105           H53      TPL  11  12.156  10.213  -6.418
  623    H12  P1W 106           H12      TPL  12  -3.718  14.397  -6.608
  624    H11  P1W 106           H11      TPL  12  -2.802  15.291  -7.817
  625    H2   P1W 106           H2       TPL  12  -4.845  16.547  -8.434
  626    H43  P1W 106           H43      TPL  12  -6.044  18.374  -6.921
  627    H41  P1W 106           H41      TPL  12  -6.810  17.736  -5.460
  628    H42  P1W 106           H42      TPL  12  -7.365  17.214  -7.049
  629    H51  P1W 106           H51      TPL  12  -5.799  16.282  -4.333
  630    H52  P1W 106           H52      TPL  12  -4.347  15.451  -4.884
  631    H53  P1W 106           H53      TPL  12  -5.928  14.703  -5.114
  632    H12  P1W 107           H12      TPL  12   8.348  12.757  -7.576
  633    H11  P1W 107           H11      TPL  12   9.108  12.705  -5.989
  634    H2   P1W 107           H2       TPL  12  10.642  12.614  -8.620
  635    H43  P1W 107           H43      TPL  12  12.542  15.251  -7.851
  636    H41  P1W 107           H41      TPL  12  12.838  13.635  -8.507
  637    H42  P1W 107           H42      TPL  12  13.456  14.070  -6.914
  638    H51  P1W 107           H51      TPL  12  10.242  14.788  -5.476
  639    H52  P1W 107           H52      TPL  12  11.986  14.767  -5.227
  640    H53  P1W 107           H53      TPL  12  11.027  13.333  -4.854
  641    H1   MUB 101           H1       NAM   6 -11.770  -8.833   6.079
  642    H2   MUB 101           H2       NAM   6 -10.805 -10.846   5.838
  643    HN2  MUB 101           HN2      NAM   6  -8.826 -10.808   4.662
  644    H81  MUB 101           H81      NAM   6  -7.595 -10.031   2.494
  645    H82  MUB 101           H82      NAM   6  -8.430 -10.633   1.070
  646    H83  MUB 101           H83      NAM   6  -7.963 -11.777   2.321
  647    H3   MUB 101           H3       NAM   6 -11.895 -10.879   2.893
  648    H9   MUB 101           H9       NAM   6 -12.383 -11.746   5.831
  649   H111  MUB 101          H111      NAM   6 -10.488 -14.163   5.620
  650   H112  MUB 101          H112      NAM   6 -11.158 -13.615   7.134
  651   H113  MUB 101          H113      NAM   6 -10.248 -12.464   6.234
  652    H4A  MUB 101           H4       NAM   6 -13.830 -10.501   5.234
  653    H5   MUB 101           H5       NAM   6 -13.622  -8.543   2.915
  654    H61  MUB 101           H61      NAM   6 -14.168  -6.882   4.334
  655    H62  MUB 101           H62      NAM   6 -13.760  -7.719   5.856
  656    HO6  MUB 101           HO6      NAM   6 -15.678  -8.954   4.075
  657    H1   NAG 102           H1       NAG   7 -13.503 -11.972   2.255
  658    H2   NAG 102           H2       NAG   7 -16.421 -11.003   1.668
  659    H3   NAG 102           H3       NAG   7 -14.626 -12.905   0.021
  660    H4   NAG 102           H4       NAG   7 -15.456 -10.159  -0.851
  661    H5   NAG 102           H5       NAG   7 -12.578 -11.084   0.181
  662    H61  NAG 102           H61      NAG   7 -13.479  -8.283  -0.498
  663    H62  NAG 102           H62      NAG   7 -12.531  -9.356  -1.517
  664    H81  NAG 102           H81      NAG   7 -16.976 -15.322   2.781
  665    H82  NAG 102           H82      NAG   7 -16.193 -14.731   4.243
  666    H83  NAG 102           H83      NAG   7 -15.357 -15.912   3.236
  667    HN2  NAG 102           HN2      NAG   7 -16.900 -12.654   2.815
  668    HO3  NAG 102           HO3      NAG   7 -16.387 -12.423  -1.423
  669    HO4  NAG 102           HO4      NAG   7 -13.448 -11.896  -1.816
  670    HO6  NAG 102           HO6      NAG   7 -11.529  -9.294   0.976
  671    H1   MUB 101           H1       NAM   6  13.117  -4.293  -4.473
  672    H2   MUB 101           H2       NAM   6  12.613  -4.166  -6.656
  673    HN2  MUB 101           HN2      NAM   6  11.403  -5.921  -7.449
  674    H81  MUB 101           H81      NAM   6  11.793  -7.888  -9.222
  675    H82  MUB 101           H82      NAM   6  11.149  -8.477  -7.697
  676    H83  MUB 101           H83      NAM   6  12.612  -9.214  -8.335
  677    H3   MUB 101           H3       NAM   6  14.939  -6.189  -7.180
  678    H9   MUB 101           H9       NAM   6  14.211  -3.128  -7.242
  679   H111  MUB 101          H111      NAM   6  12.299  -3.987  -9.364
  680   H112  MUB 101          H112      NAM   6  12.491  -2.259  -9.233
  681   H113  MUB 101          H113      NAM   6  12.067  -3.098  -7.790
  682    H4A  MUB 101           H4       NAM   6  15.408  -3.442  -5.849
  683    H5   MUB 101           H5       NAM   6  16.282  -6.037  -4.577
  684    H61  MUB 101           H61      NAM   6  16.733  -4.147  -3.415
  685    H62  MUB 101           H62      NAM   6  15.515  -5.009  -2.401
  686    HO6  MUB 101           HO6      NAM   6  15.507  -2.500  -3.465
  687    H1   NAG 102           H1       NAG   7  16.746  -5.643  -8.039
  688    H2   NAG 102           H2       NAG   7  19.465  -5.143  -6.576
  689    H3   NAG 102           H3       NAG   7  18.944  -6.832  -9.078
  690    H4   NAG 102           H4       NAG   7  19.711  -7.950  -6.401
  691    H5   NAG 102           H5       NAG   7  16.871  -8.061  -7.845
  692    H61  NAG 102           H61      NAG   7  17.514 -10.035  -6.462
  693    H62  NAG 102           H62      NAG   7  15.972  -9.236  -6.156
  694    H81  NAG 102           H81      NAG   7  19.751  -2.793 -10.395
  695    H82  NAG 102           H82      NAG   7  18.499  -1.926  -9.511
  696    H83  NAG 102           H83      NAG   7  18.078  -2.755 -11.009
  697    HN2  NAG 102           HN2      NAG   7  19.629  -3.566  -7.835
  698    HO3  NAG 102           HO3      NAG   7  21.106  -7.432  -8.395
  699    HO4  NAG 102           HO4      NAG   7  18.702  -9.203  -8.728
  700    HO6  NAG 102           HO6      NAG   7  17.633  -8.015  -4.599
  701    H1   MUB 101           H1       NAM   6 -12.748   4.576  -2.966
  702    H2   MUB 101           H2       NAM   6 -11.633   2.623  -3.342
  703    HN2  MUB 101           HN2      NAM   6  -9.373   2.809  -3.253
  704    H81  MUB 101           H81      NAM   6  -7.182   3.973  -5.880
  705    H82  MUB 101           H82      NAM   6  -7.371   2.412  -5.096
  706    H83  MUB 101           H83      NAM   6  -7.249   3.850  -4.092
  707    H3   MUB 101           H3       NAM   6 -11.086   3.669  -6.221
  708    H9   MUB 101           H9       NAM   6 -12.852   1.934  -4.331
  709   H111  MUB 101          H111      NAM   6 -11.306   0.846  -3.030
  710   H112  MUB 101          H112      NAM   6 -10.621   0.100  -4.449
  711   H113  MUB 101          H113      NAM   6 -11.978  -0.691  -3.743
  712    H4A  MUB 101           H4       NAM   6 -13.934   3.541  -5.058
  713    H5   MUB 101           H5       NAM   6 -12.674   6.037  -6.265
  714    H61  MUB 101           H61      NAM   6 -14.865   6.215  -5.720
  715    H62  MUB 101           H62      NAM   6 -13.992   7.315  -4.575
  716    HO6  MUB 101           HO6      NAM   6 -15.656   5.801  -3.670
  717    H1   NAG 102           H1       NAG   7 -12.217   2.829  -7.793
  718    H2   NAG 102           H2       NAG   7 -14.379   4.314  -9.497
  719    H3   NAG 102           H3       NAG   7 -12.008   2.644 -10.446
  720    H4   NAG 102           H4       NAG   7 -12.207   5.620 -10.785
  721    H5   NAG 102           H5       NAG   7 -10.330   3.995  -8.781
  722    H61  NAG 102           H61      NAG   7  -9.369   6.113  -9.683
  723    H62  NAG 102           H62      NAG   7  -9.458   5.913  -7.945
  724    H81  NAG 102           H81      NAG   7 -15.627   0.220  -8.234
  725    H82  NAG 102           H82      NAG   7 -14.392  -0.852  -8.888
  726    H83  NAG 102           H83      NAG   7 -15.451   0.019  -9.997
  727    HN2  NAG 102           HN2      NAG   7 -15.405   2.597  -9.269
  728    HO3  NAG 102           HO3      NAG   7 -14.021   4.289 -11.552
  729    HO4  NAG 102           HO4      NAG   7 -11.004   4.258 -12.175
  730    HO6  NAG 102           HO6      NAG   7 -11.665   7.049  -8.473
  731    H1   MUB 101           H1       NAM   6  11.925   6.817   4.388
  732    H2   MUB 101           H2       NAM   6  10.651   6.752   6.304
  733    HN2  MUB 101           HN2      NAM   6   8.576   7.591   6.204
  734    H81  MUB 101           H81      NAM   6   7.217   9.547   7.086
  735    H82  MUB 101           H82      NAM   6   7.110   9.660   5.340
  736    H83  MUB 101           H83      NAM   6   7.636  11.073   6.241
  737    H3   MUB 101           H3       NAM   6  11.279   9.809   6.560
  738    H9   MUB 101           H9       NAM   6  12.007   6.926   7.514
  739   H111  MUB 101          H111      NAM   6   9.639   6.775   9.517
  740   H112  MUB 101          H112      NAM   6  10.440   5.440   8.733
  741   H113  MUB 101          H113      NAM   6   9.666   6.583   7.705
  742    H4A  MUB 101           H4       NAM   6  13.499   7.664   6.336
  743    H5   MUB 101           H5       NAM   6  13.252  10.149   4.583
  744    H61  MUB 101           H61      NAM   6  14.932   9.189   3.681
  745    H62  MUB 101           H62      NAM   6  13.827   8.019   2.863
  746    HO6  MUB 101           HO6      NAM   6  15.264   7.825   5.435
  747    H1   NAG 102           H1       NAG   7  12.652  10.510   7.949
  748    H2   NAG 102           H2       NAG   7  15.627  11.391   7.594
  749    H3   NAG 102           H3       NAG   7  13.407  12.814   9.154
  750    H4   NAG 102           H4       NAG   7  14.615  13.839   6.607
  751    H5   NAG 102           H5       NAG   7  11.711  12.570   6.997
  752    H61  NAG 102           H61      NAG   7  13.008  13.686   4.528
  753    H62  NAG 102           H62      NAG   7  11.571  14.219   5.390
  754    H81  NAG 102           H81      NAG   7  13.798   9.372  12.046
  755    H82  NAG 102           H82      NAG   7  15.403  10.077  11.884
  756    H83  NAG 102           H83      NAG   7  15.028   8.584  11.025
  757    HN2  NAG 102           HN2      NAG   7  15.917  10.263   9.248
  758    HO3  NAG 102           HO3      NAG   7  16.040  13.422   8.298
  759    HO4  NAG 102           HO4      NAG   7  13.647  15.166   8.222
  760    HO6  NAG 102           HO6      NAG   7  10.976  11.834   4.902
  Start of MODEL    2
    1    H    ZAE   1           HN1      DPH   1   8.651 -17.748   0.955
    2    HA   ZAE   1           HA       DPH   1   8.391 -16.279  -0.905
    3    HB2  ZAE   1           HB1      DPH   1  10.492 -14.882   0.691
    4    HB3  ZAE   1           HB2      DPH   1  10.675 -16.609   0.405
    5    HD1  ZAE   1           HD1      DPH   1   9.409 -16.677  -2.360
    6    HD2  ZAE   1           HD2      DPH   1  12.312 -14.086  -0.612
    7    HE1  ZAE   1           HE1      DPH   1  10.352 -16.226  -4.594
    8    HE2  ZAE   1           HE2      DPH   1  13.254 -13.633  -2.843
    9    HZ   ZAE   1           HZ       DPH   1  12.276 -14.704  -4.836
   10    H11  ZAE   1          HN11      DPH   1   8.295 -15.373   2.658
   11    H12  ZAE   1          HN12      DPH   1   9.776 -16.318   2.487
   12    H13  ZAE   1          HN13      DPH   1   8.344 -17.049   3.212
   13    HN2  ZAE   1           HN2      DPH   1   7.204 -16.883   1.102
   14    H    ILE   2           HN       ILE   2   6.346 -15.167  -0.616
   15    HA   ILE   2           HA       ILE   2   6.799 -12.322  -0.113
   16    HB   ILE   2           HB       ILE   2   5.775 -13.244  -2.311
   17   HG12  ILE   2          HG12      ILE   2   4.113 -11.317  -2.408
   18   HG13  ILE   2          HG11      ILE   2   4.504 -11.011  -0.724
   19   HG21  ILE   2          HG21      ILE   2   3.315 -13.538  -2.268
   20   HG22  ILE   2          HG22      ILE   2   3.371 -13.487  -0.505
   21   HG23  ILE   2          HG23      ILE   2   4.185 -14.786  -1.375
   22   HD11  ILE   2          HD11      ILE   2   6.148  -9.727  -1.413
   23   HD12  ILE   2          HD12      ILE   2   5.894 -10.219  -3.090
   24   HD13  ILE   2          HD13      ILE   2   6.951 -11.165  -2.043
   25    H    SER   3           HN       SER   3   5.450 -11.138   1.266
   26    HA   SER   3           HA       SER   3   3.310 -12.475   2.670
   27    HB2  SER   3           HB2      SER   3   5.644 -11.370   4.246
   28    HB3  SER   3           HB1      SER   3   4.119 -11.906   4.937
   29    HG   SER   3           HG       SER   3   5.223 -13.825   3.372
   30    H    DAR   4           HN       DAR   4   2.179 -10.968   4.138
   31    HA   DAR   4           HA       DAR   4   2.335  -8.214   3.132
   32    HB2  DAR   4           HB1      DAR   4   1.342  -9.396   5.705
   33    HB3  DAR   4           HB2      DAR   4   0.947  -7.752   5.215
   34    HG2  DAR   4           HG1      DAR   4   3.769  -8.726   5.337
   35    HG3  DAR   4           HG2      DAR   4   2.936  -8.094   6.761
   36    HD2  DAR   4           HD1      DAR   4   2.381  -6.069   5.323
   37    HD3  DAR   4           HD2      DAR   4   3.587  -6.685   4.191
   38    HE   DAR   4           HE       DAR   4   4.855  -6.668   6.592
   39   HH11  DAR   4          HH21      DAR   4   5.719  -3.287   6.924
   40   HH12  DAR   4          HH22      DAR   4   6.062  -4.966   7.476
   41   HH21  DAR   4          HH11      DAR   4   4.089  -2.907   5.339
   42   HH22  DAR   4          HH12      DAR   4   3.202  -4.291   4.614
   43    HA   28J   5           HA       28J   5  -1.962  -8.652   2.436
   44    H22  28J   5           HB       28J   5  -2.247  -8.337  -0.192
   45    H23  28J   5          HG21      28J   5  -0.197  -9.014  -1.363
   46    H24  28J   5          HG22      28J   5   0.696  -8.917   0.154
   47    H25  28J   5          HG23      28J   5  -0.004  -7.460  -0.553
   48    H26  28J   5          HG11      28J   5  -2.460 -10.462   1.191
   49    H27  28J   5          HG12      28J   5  -0.742 -10.724   0.909
   50    H28  28J   5          HD11      28J   5  -2.047 -12.044  -0.624
   51    H29  28J   5          HD12      28J   5  -1.160 -10.799  -1.504
   52    H30  28J   5          HD13      28J   5  -2.886 -10.602  -1.197
   53    H    ILE   6           HN       ILE   6  -3.553  -7.404   0.864
   54    HA   ILE   6           HA       ILE   6  -3.281  -4.553   1.524
   55    HB   ILE   6           HB       ILE   6  -2.788  -4.780  -0.783
   56   HG12  ILE   6          HG12      ILE   6  -5.637  -3.887  -0.457
   57   HG13  ILE   6          HG11      ILE   6  -4.198  -2.876  -0.406
   58   HG21  ILE   6          HG21      ILE   6  -5.272  -6.462  -1.097
   59   HG22  ILE   6          HG22      ILE   6  -3.604  -7.023  -1.202
   60   HG23  ILE   6          HG23      ILE   6  -4.240  -5.917  -2.418
   61   HD11  ILE   6          HD11      ILE   6  -3.855  -3.456  -2.777
   62   HD12  ILE   6          HD12      ILE   6  -5.345  -2.566  -2.444
   63   HD13  ILE   6          HD13      ILE   6  -5.400  -4.303  -2.728
   64    H    SER   7           HN       SER   7  -5.075  -3.601   2.486
   65    HA   SER   7           HA       SER   7  -7.721  -4.757   2.105
   66    HB2  SER   7           HB2      SER   7  -8.204  -4.770   4.560
   67    HB3  SER   7           HB1      SER   7  -7.091  -6.032   4.030
   68    HG   SER   7           HG       SER   7  -5.716  -3.838   4.660
   69    H    DTH   8           HN       DTC   8  -9.449  -3.466   2.979
   70    HA   DTH   8           HA       DTC   8  -8.820  -0.616   2.915
   71    HB   DTH   8           HB       DTC   8 -10.231   0.008   4.810
   72   HG21  DTH   8          HG21      DTC   8  -7.872  -0.526   5.307
   73   HG22  DTH   8          HG22      DTC   8  -8.300  -2.216   5.583
   74   HG23  DTH   8          HG23      DTC   8  -8.924  -0.960   6.653
   75    H    ALA   9           HN       ALA   9 -10.796  -3.364   2.461
   76    HA   ALA   9           HA       ALA   9 -12.579  -2.010   0.689
   77    HB1  ALA   9           HB1      ALA   9 -11.600  -4.479   0.773
   78    HB2  ALA   9           HB2      ALA   9 -13.106  -4.083  -0.052
   79    HB3  ALA   9           HB3      ALA   9 -13.137  -4.761   1.580
   80    H    LEU  10           HN       LEU  10 -13.538  -4.342   3.242
   81    HA   LEU  10           HA       LEU  10 -15.845  -2.641   3.853
   82    HB2  LEU  10           HB2      LEU  10 -16.160  -4.615   5.597
   83    HB3  LEU  10           HB1      LEU  10 -16.648  -4.765   3.925
   84    HG   LEU  10           HG       LEU  10 -15.550  -6.783   4.673
   85   HD11  LEU  10          HD11      LEU  10 -14.530  -7.131   2.729
   86   HD12  LEU  10          HD12      LEU  10 -13.455  -5.746   2.919
   87   HD13  LEU  10          HD13      LEU  10 -15.106  -5.507   2.351
   88   HD21  LEU  10          HD21      LEU  10 -13.178  -5.020   5.263
   89   HD22  LEU  10          HD22      LEU  10 -13.096  -6.777   5.148
   90   HD23  LEU  10          HD23      LEU  10 -14.075  -6.021   6.405
   91    H    ILE  11           HN       ILE  11 -12.757  -3.482   5.028
   92    HA   ILE  11           HA       ILE  11 -13.317  -1.893   7.484
   93    HB   ILE  11           HB       ILE  11 -11.547  -3.184   8.663
   94   HG12  ILE  11          HG12      ILE  11 -11.707  -5.448   6.777
   95   HG13  ILE  11          HG11      ILE  11 -10.799  -4.065   6.176
   96   HG21  ILE  11          HG21      ILE  11 -14.094  -4.347   7.714
   97   HG22  ILE  11          HG22      ILE  11 -13.544  -4.007   9.356
   98   HG23  ILE  11          HG23      ILE  11 -12.973  -5.448   8.514
   99   HD11  ILE  11          HD11      ILE  11 -10.251  -5.756   8.591
  100   HD12  ILE  11          HD12      ILE  11  -9.504  -4.176   8.363
  101   HD13  ILE  11          HD13      ILE  11  -9.221  -5.463   7.191
  102    H    ZAE   1           HN1      DPH   1  -9.229   5.411   3.662
  103    HA   ZAE   1           HA       DPH   1  -9.371   4.025   1.756
  104    HB2  ZAE   1           HB1      DPH   1 -10.658   2.653   4.093
  105    HB3  ZAE   1           HB2      DPH   1 -11.189   4.217   3.486
  106    HD1  ZAE   1           HD1      DPH   1 -10.095   2.818   0.693
  107    HD2  ZAE   1           HD2      DPH   1 -13.197   2.280   3.535
  108    HE1  ZAE   1           HE1      DPH   1 -11.471   1.787  -1.035
  109    HE2  ZAE   1           HE2      DPH   1 -14.599   1.217   1.804
  110    HZ   ZAE   1           HZ       DPH   1 -13.724   0.983  -0.495
  111    H11  ZAE   1          HN11      DPH   1  -8.172   3.018   4.988
  112    H12  ZAE   1          HN12      DPH   1  -9.643   3.912   5.393
  113    H13  ZAE   1          HN13      DPH   1  -8.061   4.655   5.639
  114    HN2  ZAE   1           HN2      DPH   1  -7.710   4.751   3.295
  115    H    ILE   2           HN       ILE   2  -7.594   2.975   0.975
  116    HA   ILE   2           HA       ILE   2  -7.310   0.260   2.046
  117    HB   ILE   2           HB       ILE   2  -7.989   0.732  -0.457
  118   HG12  ILE   2          HG12      ILE   2  -5.773  -1.236  -0.183
  119   HG13  ILE   2          HG11      ILE   2  -7.160  -1.408   0.883
  120   HG21  ILE   2          HG21      ILE   2  -6.040   2.224  -0.899
  121   HG22  ILE   2          HG22      ILE   2  -6.119   0.836  -1.986
  122   HG23  ILE   2          HG23      ILE   2  -4.973   0.841  -0.640
  123   HD11  ILE   2          HD11      ILE   2  -8.619  -1.429  -1.094
  124   HD12  ILE   2          HD12      ILE   2  -7.469  -2.769  -1.058
  125   HD13  ILE   2          HD13      ILE   2  -7.180  -1.383  -2.111
  126    H    SER   3           HN       SER   3  -5.512  -0.478   2.717
  127    HA   SER   3           HA       SER   3  -2.989   0.782   2.096
  128    HB2  SER   3           HB2      SER   3  -2.548   0.410   4.726
  129    HB3  SER   3           HB1      SER   3  -3.021   1.959   4.037
  130    HG   SER   3           HG       SER   3  -4.573   0.098   5.475
  131    H    DAR   4           HN       DAR   4  -1.233  -0.470   2.893
  132    HA   DAR   4           HA       DAR   4  -1.850  -3.341   2.806
  133    HB2  DAR   4           HB1      DAR   4  -0.211  -1.852   4.813
  134    HB3  DAR   4           HB2      DAR   4   0.262  -3.481   4.365
  135    HG2  DAR   4           HG1      DAR   4  -2.134  -4.145   4.969
  136    HG3  DAR   4           HG2      DAR   4  -2.223  -2.565   5.748
  137    HD2  DAR   4           HD1      DAR   4  -0.365  -3.110   7.181
  138    HD3  DAR   4           HD2      DAR   4  -0.134  -4.648   6.352
  139    HE   DAR   4           HE       DAR   4  -2.218  -3.985   8.270
  140   HH11  DAR   4          HH21      DAR   4  -3.248  -7.345   8.390
  141   HH12  DAR   4          HH22      DAR   4  -3.393  -5.725   9.159
  142   HH21  DAR   4          HH11      DAR   4  -1.897  -7.641   6.557
  143   HH22  DAR   4          HH12      DAR   4  -0.980  -6.248   5.883
  144    HA   28J   5           HA       28J   5   2.044  -3.154   0.739
  145    H22  28J   5           HB       28J   5   1.501  -3.874  -1.690
  146    H23  28J   5          HG21      28J   5  -1.295  -3.655  -0.579
  147    H24  28J   5          HG22      28J   5  -0.536  -5.136  -1.165
  148    H25  28J   5          HG23      28J   5  -0.865  -3.809  -2.280
  149    H26  28J   5          HG11      28J   5   1.749  -1.553  -1.130
  150    H27  28J   5          HG12      28J   5   0.192  -1.529  -0.310
  151    H28  28J   5          HD11      28J   5   0.198  -0.419  -2.528
  152    H29  28J   5          HD12      28J   5  -0.985  -1.718  -2.372
  153    H30  28J   5          HD13      28J   5   0.515  -1.992  -3.260
  154    H    ILE   6           HN       ILE   6   3.194  -4.631  -0.971
  155    HA   ILE   6           HA       ILE   6   3.175  -7.392   0.075
  156    HB   ILE   6           HB       ILE   6   2.070  -7.964  -1.774
  157   HG12  ILE   6          HG12      ILE   6   4.781  -7.522  -3.029
  158   HG13  ILE   6          HG11      ILE   6   4.234  -8.978  -2.212
  159   HG21  ILE   6          HG21      ILE   6   2.082  -6.642  -3.939
  160   HG22  ILE   6          HG22      ILE   6   3.008  -5.410  -3.086
  161   HG23  ILE   6          HG23      ILE   6   1.383  -5.835  -2.537
  162   HD11  ILE   6          HD11      ILE   6   3.473  -7.913  -4.886
  163   HD12  ILE   6          HD12      ILE   6   2.440  -9.065  -4.035
  164   HD13  ILE   6          HD13      ILE   6   4.099  -9.500  -4.442
  165    H    SER   7           HN       SER   7   5.135  -8.322   0.402
  166    HA   SER   7           HA       SER   7   7.450  -7.343  -1.082
  167    HB2  SER   7           HB2      SER   7   8.594  -7.229   1.306
  168    HB3  SER   7           HB1      SER   7   7.767  -5.830   0.609
  169    HG   SER   7           HG       SER   7   6.630  -7.724   2.374
  170    H    DTH   8           HN       DTC   8   9.161  -8.642  -1.151
  171    HA   DTH   8           HA       DTC   8   9.056 -11.362  -0.349
  172    HB   DTH   8           HB       DTC   8  11.084 -11.532   1.022
  173   HG21  DTH   8          HG21      DTC   8   8.972 -11.189   2.241
  174   HG22  DTH   8          HG22      DTC   8   9.194  -9.440   2.164
  175   HG23  DTH   8          HG23      DTC   8  10.325 -10.433   3.081
  176    H    ALA   9           HN       ALA   9  10.662  -8.885  -2.233
  177    HA   ALA   9           HA       ALA   9  12.460 -10.788  -3.425
  178    HB1  ALA   9           HB1      ALA   9  11.518  -8.073  -4.187
  179    HB2  ALA   9           HB2      ALA   9  11.422  -9.587  -5.086
  180    HB3  ALA   9           HB3      ALA   9  12.969  -8.760  -4.914
  181    H    LEU  10           HN       LEU  10  12.613  -7.530  -2.496
  182    HA   LEU  10           HA       LEU  10  15.439  -7.391  -2.221
  183    HB2  LEU  10           HB2      LEU  10  14.096  -5.311  -0.730
  184    HB3  LEU  10           HB1      LEU  10  15.090  -5.189  -2.167
  185    HG   LEU  10           HG       LEU  10  12.177  -5.953  -2.332
  186   HD11  LEU  10          HD11      LEU  10  12.288  -3.865  -1.160
  187   HD12  LEU  10          HD12      LEU  10  11.734  -3.595  -2.813
  188   HD13  LEU  10          HD13      LEU  10  13.396  -3.212  -2.365
  189   HD21  LEU  10          HD21      LEU  10  12.355  -5.048  -4.600
  190   HD22  LEU  10          HD22      LEU  10  13.502  -6.366  -4.351
  191   HD23  LEU  10          HD23      LEU  10  14.057  -4.692  -4.326
  192    H    ILE  11           HN       ILE  11  12.911  -8.432  -0.237
  193    HA   ILE  11           HA       ILE  11  14.649  -9.029   1.968
  194    HB   ILE  11           HB       ILE  11  13.085  -7.818   3.667
  195   HG12  ILE  11          HG12      ILE  11  12.806  -5.807   1.424
  196   HG13  ILE  11          HG11      ILE  11  11.532  -6.964   1.787
  197   HG21  ILE  11          HG21      ILE  11  15.092  -6.277   2.041
  198   HG22  ILE  11          HG22      ILE  11  15.441  -7.331   3.412
  199   HG23  ILE  11          HG23      ILE  11  14.532  -5.837   3.652
  200   HD11  ILE  11          HD11      ILE  11  12.617  -4.854   3.649
  201   HD12  ILE  11          HD12      ILE  11  11.378  -6.037   4.067
  202   HD13  ILE  11          HD13      ILE  11  11.059  -4.829   2.821
  203    H    ZAE   1           HN1      DPH   1   8.731  -5.658  -1.127
  204    HA   ZAE   1           HA       DPH   1   7.612  -4.841  -3.103
  205    HB2  ZAE   1           HB1      DPH   1   9.950  -3.041  -2.508
  206    HB3  ZAE   1           HB2      DPH   1  10.164  -4.774  -2.729
  207    HD1  ZAE   1           HD1      DPH   1   8.340  -5.380  -4.885
  208    HD2  ZAE   1           HD2      DPH   1  10.904  -2.026  -4.334
  209    HE1  ZAE   1           HE1      DPH   1   8.493  -5.110  -7.326
  210    HE2  ZAE   1           HE2      DPH   1  11.060  -1.735  -6.776
  211    HZ   ZAE   1           HZ       DPH   1   9.855  -3.285  -8.278
  212    H11  ZAE   1          HN11      DPH   1   9.876  -3.636  -0.567
  213    H12  ZAE   1          HN12      DPH   1   9.005  -4.349   0.794
  214    H13  ZAE   1          HN13      DPH   1   8.327  -2.957  -0.055
  215    HN2  ZAE   1           HN2      DPH   1   7.229  -4.968  -0.757
  216    H    ILE   2           HN       ILE   2   5.637  -3.772  -2.307
  217    HA   ILE   2           HA       ILE   2   6.014  -0.868  -2.201
  218    HB   ILE   2           HB       ILE   2   5.148  -1.960  -4.438
  219   HG12  ILE   2          HG12      ILE   2   3.852   0.483  -3.235
  220   HG13  ILE   2          HG11      ILE   2   5.450   0.435  -3.956
  221   HG21  ILE   2          HG21      ILE   2   2.541  -1.626  -2.963
  222   HG22  ILE   2          HG22      ILE   2   3.297  -3.183  -3.318
  223   HG23  ILE   2          HG23      ILE   2   2.778  -2.134  -4.635
  224   HD11  ILE   2          HD11      ILE   2   2.830   0.003  -5.336
  225   HD12  ILE   2          HD12      ILE   2   4.410  -0.211  -6.095
  226   HD13  ILE   2          HD13      ILE   2   3.923   1.377  -5.504
  227    H    SER   3           HN       SER   3   4.747   0.243  -0.869
  228    HA   SER   3           HA       SER   3   2.504  -1.021   0.415
  229    HB2  SER   3           HB2      SER   3   4.851  -0.075   2.055
  230    HB3  SER   3           HB1      SER   3   3.284  -0.545   2.699
  231    HG   SER   3           HG       SER   3   4.393  -2.460   1.086
  232    H    DAR   4           HN       DAR   4   1.242   0.378   1.595
  233    HA   DAR   4           HA       DAR   4   1.440   3.144   0.629
  234    HB2  DAR   4           HB1      DAR   4   0.883   2.179   3.420
  235    HB3  DAR   4           HB2      DAR   4   0.324   3.748   2.865
  236    HG2  DAR   4           HG1      DAR   4   3.206   2.935   2.707
  237    HG3  DAR   4           HG2      DAR   4   2.505   3.683   4.145
  238    HD2  DAR   4           HD1      DAR   4   1.841   5.617   2.854
  239    HD3  DAR   4           HD2      DAR   4   2.448   4.871   1.377
  240    HE   DAR   4           HE       DAR   4   4.617   4.894   2.970
  241   HH11  DAR   4          HH21      DAR   4   5.652   8.245   2.802
  242   HH12  DAR   4          HH22      DAR   4   6.143   6.561   3.200
  243   HH21  DAR   4          HH11      DAR   4   3.502   8.689   2.115
  244   HH22  DAR   4          HH12      DAR   4   2.313   7.346   1.966
  245    HA   28J   5           HA       28J   5  -2.936   2.631   0.487
  246    H22  28J   5           HB       28J   5  -3.526   2.444  -2.011
  247    H23  28J   5          HG21      28J   5  -1.652   1.907  -3.502
  248    H24  28J   5          HG22      28J   5  -0.522   2.341  -2.220
  249    H25  28J   5          HG23      28J   5  -1.581   3.568  -2.916
  250    H26  28J   5          HG11      28J   5  -3.102   0.556  -0.330
  251    H27  28J   5          HG12      28J   5  -1.505   0.418  -1.055
  252    H28  28J   5          HD11      28J   5  -2.464  -0.144  -3.186
  253    H29  28J   5          HD12      28J   5  -4.092   0.133  -2.567
  254    H30  28J   5          HD13      28J   5  -3.128  -1.207  -1.945
  255    H    ILE   6           HN       ILE   6  -4.818   3.800  -0.327
  256    HA   ILE   6           HA       ILE   6  -4.274   6.628  -0.707
  257    HB   ILE   6           HB       ILE   6  -4.078   6.148  -2.976
  258   HG12  ILE   6          HG12      ILE   6  -6.977   6.878  -2.607
  259   HG13  ILE   6          HG11      ILE   6  -5.626   7.999  -2.714
  260   HG21  ILE   6          HG21      ILE   6  -4.842   3.819  -2.938
  261   HG22  ILE   6          HG22      ILE   6  -5.445   4.706  -4.337
  262   HG23  ILE   6          HG23      ILE   6  -6.514   4.374  -2.973
  263   HD11  ILE   6          HD11      ILE   6  -5.267   7.235  -5.042
  264   HD12  ILE   6          HD12      ILE   6  -6.848   7.976  -4.774
  265   HD13  ILE   6          HD13      ILE   6  -6.700   6.223  -4.882
  266    H    SER   7           HN       SER   7  -5.860   7.944   0.062
  267    HA   SER   7           HA       SER   7  -8.564   6.951   0.279
  268    HB2  SER   7           HB2      SER   7  -8.066   7.787   2.902
  269    HB3  SER   7           HB1      SER   7  -8.402   6.143   2.351
  270    HG   SER   7           HG       SER   7  -5.841   7.000   1.958
  271    H    DTH   8           HN       DTC   8 -10.064   8.502   0.545
  272    HA   DTH   8           HA       DTC   8  -9.238  11.252   0.210
  273    HB   DTH   8           HB       DTC   8 -10.578  12.138   2.128
  274   HG21  DTH   8          HG21      DTC   8  -8.155  11.740   2.400
  275   HG22  DTH   8          HG22      DTC   8  -8.468  10.069   2.874
  276   HG23  DTH   8          HG23      DTC   8  -9.014  11.395   3.900
  277    H    ALA   9           HN       ALA   9 -11.699   8.836  -0.069
  278    HA   ALA   9           HA       ALA   9 -13.641  10.641  -1.285
  279    HB1  ALA   9           HB1      ALA   9 -13.188   8.351  -2.291
  280    HB2  ALA   9           HB2      ALA   9 -14.879   8.684  -1.928
  281    HB3  ALA   9           HB3      ALA   9 -13.936   7.665  -0.849
  282    H    LEU  10           HN       LEU  10 -13.875   7.882   0.826
  283    HA   LEU  10           HA       LEU  10 -16.274   8.873   2.080
  284    HB2  LEU  10           HB2      LEU  10 -15.995   6.896   3.606
  285    HB3  LEU  10           HB1      LEU  10 -16.096   6.512   1.900
  286    HG   LEU  10           HG       LEU  10 -13.342   6.788   2.510
  287   HD11  LEU  10          HD11      LEU  10 -14.774   4.989   4.435
  288   HD12  LEU  10          HD12      LEU  10 -13.969   6.505   4.839
  289   HD13  LEU  10          HD13      LEU  10 -13.029   5.142   4.236
  290   HD21  LEU  10          HD21      LEU  10 -14.087   5.318   0.788
  291   HD22  LEU  10          HD22      LEU  10 -15.078   4.401   1.919
  292   HD23  LEU  10          HD23      LEU  10 -13.320   4.321   2.025
  293    H    ILE  11           HN       ILE  11 -12.873   8.681   2.825
  294    HA   ILE  11           HA       ILE  11 -13.457  10.452   5.143
  295    HB   ILE  11           HB       ILE  11 -11.327   9.514   6.219
  296   HG12  ILE  11          HG12      ILE  11 -11.925   7.088   4.515
  297   HG13  ILE  11          HG11      ILE  11 -10.682   8.250   4.065
  298   HG21  ILE  11          HG21      ILE  11 -13.943   8.102   5.968
  299   HG22  ILE  11          HG22      ILE  11 -13.268   8.981   7.340
  300   HG23  ILE  11          HG23      ILE  11 -12.658   7.377   6.933
  301   HD11  ILE  11          HD11      ILE  11 -10.763   6.429   6.449
  302   HD12  ILE  11          HD12      ILE  11  -9.663   7.803   6.351
  303   HD13  ILE  11          HD13      ILE  11  -9.561   6.507   5.161
  304    H    ZAE   1           HN1      DPH   1  -8.149  17.245   0.831
  305    HA   ZAE   1           HA       DPH   1  -7.868  16.096  -1.241
  306    HB2  ZAE   1           HB1      DPH   1 -10.202  14.757   0.106
  307    HB3  ZAE   1           HB2      DPH   1 -10.189  16.496  -0.162
  308    HD1  ZAE   1           HD1      DPH   1  -8.974  16.750  -2.802
  309    HD2  ZAE   1           HD2      DPH   1 -11.765  13.873  -1.343
  310    HE1  ZAE   1           HE1      DPH   1  -9.815  16.404  -5.096
  311    HE2  ZAE   1           HE2      DPH   1 -12.611  13.530  -3.627
  312    HZ   ZAE   1           HZ       DPH   1 -11.638  14.791  -5.510
  313    H11  ZAE   1          HN11      DPH   1  -8.206  14.573   2.062
  314    H12  ZAE   1          HN12      DPH   1  -9.515  15.755   2.033
  315    H13  ZAE   1          HN13      DPH   1  -8.045  16.092   2.947
  316    HN2  ZAE   1           HN2      DPH   1  -6.797  16.232   0.922
  317    H    ILE   2           HN       ILE   2  -6.114  14.686  -1.438
  318    HA   ILE   2           HA       ILE   2  -6.799  11.866  -1.022
  319    HB   ILE   2           HB       ILE   2  -5.825  13.072  -3.270
  320   HG12  ILE   2          HG12      ILE   2  -5.122  10.222  -2.544
  321   HG13  ILE   2          HG11      ILE   2  -6.749  10.738  -2.955
  322   HG21  ILE   2          HG21      ILE   2  -3.477  12.476  -3.568
  323   HG22  ILE   2          HG22      ILE   2  -3.405  11.903  -1.901
  324   HG23  ILE   2          HG23      ILE   2  -3.688  13.610  -2.233
  325   HD11  ILE   2          HD11      ILE   2  -5.945  11.434  -5.166
  326   HD12  ILE   2          HD12      ILE   2  -5.689   9.716  -4.854
  327   HD13  ILE   2          HD13      ILE   2  -4.338  10.844  -4.742
  328    H    SER   3           HN       SER   3  -5.328  10.460   0.008
  329    HA   SER   3           HA       SER   3  -2.942  11.564   1.202
  330    HB2  SER   3           HB2      SER   3  -5.088  10.406   2.984
  331    HB3  SER   3           HB1      SER   3  -3.470  10.861   3.495
  332    HG   SER   3           HG       SER   3  -4.625  12.931   2.260
  333    H    DAR   4           HN       DAR   4  -1.495  10.048   1.989
  334    HA   DAR   4           HA       DAR   4  -1.876   7.394   0.797
  335    HB2  DAR   4           HB1      DAR   4  -0.661   8.062   3.466
  336    HB3  DAR   4           HB2      DAR   4  -0.574   6.478   2.700
  337    HG2  DAR   4           HG1      DAR   4  -3.121   6.607   2.614
  338    HG3  DAR   4           HG2      DAR   4  -2.952   7.914   3.789
  339    HD2  DAR   4           HD1      DAR   4  -1.984   6.502   5.386
  340    HD3  DAR   4           HD2      DAR   4  -1.625   5.252   4.191
  341    HE   DAR   4           HE       DAR   4  -4.092   5.680   5.584
  342   HH11  DAR   4          HH21      DAR   4  -5.617   2.956   3.994
  343   HH12  DAR   4          HH22      DAR   4  -5.667   4.060   5.415
  344   HH21  DAR   4          HH11      DAR   4  -3.923   3.141   2.449
  345   HH22  DAR   4          HH12      DAR   4  -2.732   4.482   2.582
  346    HA   28J   5           HA       28J   5   2.398   7.817   0.021
  347    H22  28J   5           HB       28J   5   2.608   7.945  -2.595
  348    H23  28J   5          HG21      28J   5  -0.337   8.460  -2.190
  349    H24  28J   5          HG22      28J   5   0.357   7.073  -3.029
  350    H25  28J   5          HG23      28J   5   0.559   8.695  -3.689
  351    H26  28J   5          HG11      28J   5   2.789   9.846  -0.911
  352    H27  28J   5          HG12      28J   5   1.072  10.135  -1.174
  353    H28  28J   5          HD11      28J   5   2.428  11.660  -2.482
  354    H29  28J   5          HD12      28J   5   1.497  10.587  -3.528
  355    H30  28J   5          HD13      28J   5   3.219  10.298  -3.277
  356    H    ILE   6           HN       ILE   6   4.008   6.685  -1.305
  357    HA   ILE   6           HA       ILE   6   3.428   3.811  -1.409
  358    HB   ILE   6           HB       ILE   6   3.248   4.522  -3.640
  359   HG12  ILE   6          HG12      ILE   6   6.094   3.592  -3.345
  360   HG13  ILE   6          HG11      ILE   6   4.686   2.542  -3.437
  361   HG21  ILE   6          HG21      ILE   6   5.754   6.163  -3.287
  362   HG22  ILE   6          HG22      ILE   6   4.106   6.775  -3.420
  363   HG23  ILE   6          HG23      ILE   6   4.862   5.972  -4.796
  364   HD11  ILE   6          HD11      ILE   6   5.796   4.344  -5.546
  365   HD12  ILE   6          HD12      ILE   6   4.300   3.413  -5.692
  366   HD13  ILE   6          HD13      ILE   6   5.841   2.585  -5.494
  367    H    SER   7           HN       SER   7   5.031   2.515  -0.496
  368    HA   SER   7           HA       SER   7   7.759   3.505  -0.350
  369    HB2  SER   7           HB2      SER   7   7.452   2.461   2.208
  370    HB3  SER   7           HB1      SER   7   7.661   4.166   1.798
  371    HG   SER   7           HG       SER   7   5.124   3.434   1.405
  372    H    DTH   8           HN       DTC   8   9.326   1.985  -0.015
  373    HA   DTH   8           HA       DTC   8   8.495  -0.788  -0.410
  374    HB   DTH   8           HB       DTC   8   9.984  -1.748   1.263
  375   HG21  DTH   8          HG21      DTC   8   7.743  -1.071   2.051
  376   HG22  DTH   8          HG22      DTC   8   8.361   0.527   2.473
  377   HG23  DTH   8          HG23      DTC   8   8.945  -0.899   3.328
  378    H    ALA   9           HN       ALA   9  10.205   1.775  -1.426
  379    HA   ALA   9           HA       ALA   9  11.875   0.433  -3.220
  380    HB1  ALA   9           HB1      ALA   9  12.733   2.577  -3.782
  381    HB2  ALA   9           HB2      ALA   9  12.226   3.253  -2.234
  382    HB3  ALA   9           HB3      ALA   9  11.017   2.756  -3.424
  383    H    LEU  10           HN       LEU  10  12.892   2.446  -0.408
  384    HA   LEU  10           HA       LEU  10  15.461   1.060  -0.366
  385    HB2  LEU  10           HB2      LEU  10  15.298   2.619   1.934
  386    HB3  LEU  10           HB1      LEU  10  16.132   3.018   0.449
  387    HG   LEU  10           HG       LEU  10  13.274   3.682   0.446
  388   HD11  LEU  10          HD11      LEU  10  13.953   4.110   2.798
  389   HD12  LEU  10          HD12      LEU  10  13.371   5.520   1.914
  390   HD13  LEU  10          HD13      LEU  10  15.099   5.303   2.187
  391   HD21  LEU  10          HD21      LEU  10  15.736   5.298  -0.208
  392   HD22  LEU  10          HD22      LEU  10  14.070   5.782  -0.525
  393   HD23  LEU  10          HD23      LEU  10  14.762   4.394  -1.366
  394    H    ILE  11           HN       ILE  11  12.902   1.805   1.951
  395    HA   ILE  11           HA       ILE  11  13.688  -0.628   3.453
  396    HB   ILE  11           HB       ILE  11  12.353   0.236   5.321
  397   HG12  ILE  11          HG12      ILE  11  11.976   2.921   4.177
  398   HG13  ILE  11          HG11      ILE  11  10.980   1.684   3.419
  399   HG21  ILE  11          HG21      ILE  11  14.277   2.242   4.152
  400   HG22  ILE  11          HG22      ILE  11  14.674   0.893   5.216
  401   HG23  ILE  11          HG23      ILE  11  13.716   2.244   5.822
  402   HD11  ILE  11          HD11      ILE  11   9.882   2.881   5.294
  403   HD12  ILE  11          HD12      ILE  11  11.082   2.188   6.384
  404   HD13  ILE  11          HD13      ILE  11   9.966   1.134   5.517
  405    H1   ALA   1           HN       ALA   1  -8.414  -9.501   8.927
  406    HA   ALA   1           HA       ALA   1  -8.363  -8.527  11.539
  407    HB1  ALA   1           HB1      ALA   1  -9.220  -6.468  10.419
  408    HB2  ALA   1           HB2      ALA   1 -10.260  -7.098  11.705
  409    HB3  ALA   1           HB3      ALA   1 -10.678  -7.373  10.010
  410    H    DGL   2           HN       DGL   2 -11.330  -8.492  11.986
  411    HA   DGL   2           HA       DGL   2 -13.119  -9.741  11.952
  412    HB2  DGL   2           HB1      DGL   2 -12.431 -12.401  12.512
  413    HB3  DGL   2           HB2      DGL   2 -12.299 -11.176  13.747
  414    HG2  DGL   2           HG1      DGL   2  -9.983 -11.230  13.766
  415    HG3  DGL   2           HG2      DGL   2  -9.827 -11.571  12.063
  416    H    LYS   3           HN       LYS   3 -11.439 -13.837  11.943
  417    HA   LYS   3           HA       LYS   3 -11.299 -16.003  11.973
  418    HB2  LYS   3           HB2      LYS   3  -8.631 -15.192  12.712
  419    HB3  LYS   3           HB1      LYS   3  -9.006 -16.844  13.230
  420    HG2  LYS   3           HG2      LYS   3  -9.199 -15.662  10.469
  421    HG3  LYS   3           HG1      LYS   3  -8.175 -16.986  10.998
  422    HD2  LYS   3           HD2      LYS   3  -9.627 -18.557  10.361
  423    HD3  LYS   3           HD1      LYS   3 -10.740 -17.851  11.467
  424    HE2  LYS   3           HE2      LYS   3 -10.592 -17.023   8.629
  425    HE3  LYS   3           HE1      LYS   3 -11.889 -18.099   9.565
  426    HZ1  LYS   3           HZ1      LYS   3 -12.031 -15.265  10.188
  427    HZ2  LYS   3           HZ2      LYS   3 -13.130 -16.519   9.880
  428    HZ3  LYS   3           HZ3      LYS   3 -12.417 -15.702   8.624
  429    H    DAL   4           HN       DAL   4 -12.969 -16.458  12.777
  430    HA   DAL   4           HA       DAL   4 -14.433 -16.747  15.300
  431    HB1  DAL   4           HB1      DAL   4 -12.758 -18.959  15.678
  432    HB2  DAL   4           HB2      DAL   4 -14.200 -18.463  16.560
  433    HB3  DAL   4           HB3      DAL   4 -12.735 -17.499  16.658
  434    H    DAL   5           HN       DAL   5 -15.439 -15.978  13.036
  435    HA   DAL   5           HA       DAL   5 -17.245 -16.294  11.210
  436    HB1  DAL   5           HB1      DAL   5 -17.613 -17.861  13.394
  437    HB2  DAL   5           HB2      DAL   5 -17.121 -19.113  12.249
  438    HB3  DAL   5           HB3      DAL   5 -18.544 -18.128  11.987
  439    H1   ALA   1           HN       ALA   1  15.530  -9.854  -9.793
  440    HA   ALA   1           HA       ALA   1  18.304  -9.624  -9.751
  441    HB1  ALA   1           HB1      ALA   1  17.929  -9.952  -7.291
  442    HB2  ALA   1           HB2      ALA   1  19.028 -11.122  -8.037
  443    HB3  ALA   1           HB3      ALA   1  17.362 -11.578  -7.656
  444    H    DGL   2           HN       DGL   2  18.485 -12.643  -8.907
  445    HA   DGL   2           HA       DGL   2  18.089 -14.698  -9.761
  446    HB2  DGL   2           HB1      DGL   2  18.335 -14.753 -12.430
  447    HB3  DGL   2           HB2      DGL   2  19.682 -14.342 -11.399
  448    HG2  DGL   2           HG1      DGL   2  19.973 -12.411 -12.614
  449    HG3  DGL   2           HG2      DGL   2  18.456 -11.799 -12.015
  450    H    LYS   3           HN       LYS   3  16.700 -11.810 -13.379
  451    HA   LYS   3           HA       LYS   3  15.563 -11.615 -15.225
  452    HB2  LYS   3           HB2      LYS   3  17.880 -10.688 -15.896
  453    HB3  LYS   3           HB1      LYS   3  17.868 -12.036 -17.046
  454    HG2  LYS   3           HG2      LYS   3  15.293 -10.660 -16.864
  455    HG3  LYS   3           HG1      LYS   3  16.593  -9.582 -17.345
  456    HD2  LYS   3           HD2      LYS   3  15.880 -10.199 -19.462
  457    HD3  LYS   3           HD1      LYS   3  17.167 -11.283 -19.093
  458    HE2  LYS   3           HE1      LYS   3  15.002 -12.198 -20.218
  459    HE3  LYS   3           HE2      LYS   3  16.061 -13.115 -18.896
  460    HZ1  LYS   3           HZ1      LYS   3  13.580 -12.158 -17.807
  461    HZ2  LYS   3           HZ2      LYS   3  14.379 -13.696 -17.768
  462    HZ3  LYS   3           HZ3      LYS   3  13.399 -13.242 -19.064
  463    H    DAL   4           HN       DAL   4  15.150 -13.604 -13.965
  464    HA   DAL   4           HA       DAL   4  13.818 -15.767 -13.782
  465    HB1  DAL   4           HB1      DAL   4  15.729 -16.909 -13.798
  466    HB2  DAL   4           HB2      DAL   4  15.573 -17.193 -15.531
  467    HB3  DAL   4           HB3      DAL   4  14.336 -17.779 -14.429
  468    H    DAL   5           HN       DAL   5  12.068 -14.139 -14.303
  469    HA   DAL   5           HA       DAL   5   9.921 -13.320 -15.491
  470    HB1  DAL   5           HB1      DAL   5  10.418 -16.000 -15.639
  471    HB2  DAL   5           HB2      DAL   5  10.632 -15.568 -17.339
  472    HB3  DAL   5           HB3      DAL   5   9.117 -15.305 -16.501
  473    H1   ALA   1           HN       ALA   1 -14.587   0.704  -3.496
  474    HA   ALA   1           HA       ALA   1 -14.660  -2.053  -2.979
  475    HB1  ALA   1           HB1      ALA   1 -13.511  -1.194  -0.868
  476    HB2  ALA   1           HB2      ALA   1 -14.922  -2.242  -0.649
  477    HB3  ALA   1           HB3      ALA   1 -15.074  -0.493  -0.449
  478    H    DGL   2           HN       DGL   2 -16.589  -1.284  -0.550
  479    HA   DGL   2           HA       DGL   2 -18.684  -0.490  -0.165
  480    HB2  DGL   2           HB1      DGL   2 -20.355  -1.331  -2.173
  481    HB3  DGL   2           HB2      DGL   2 -19.709  -2.511  -1.064
  482    HG2  DGL   2           HG1      DGL   2 -18.805  -3.632  -2.857
  483    HG3  DGL   2           HG2      DGL   2 -17.785  -2.266  -3.208
  484    H    LYS   3           HN       LYS   3 -18.573  -0.720  -4.691
  485    HA   LYS   3           HA       LYS   3 -19.442   0.031  -6.515
  486    HB2  LYS   3           HB2      LYS   3 -18.734  -2.518  -6.971
  487    HB3  LYS   3           HB1      LYS   3 -20.384  -2.508  -7.618
  488    HG2  LYS   3           HG2      LYS   3 -18.328  -0.386  -8.233
  489    HG3  LYS   3           HG1      LYS   3 -18.551  -1.813  -9.229
  490    HD2  LYS   3           HD2      LYS   3 -19.939  -0.603 -10.529
  491    HD3  LYS   3           HD1      LYS   3 -21.027  -0.942  -9.239
  492    HE2  LYS   3           HE1      LYS   3 -19.556   1.503  -8.785
  493    HE3  LYS   3           HE2      LYS   3 -20.892   1.370 -10.167
  494    HZ1  LYS   3           HZ1      LYS   3 -22.424   2.182  -8.827
  495    HZ2  LYS   3           HZ2      LYS   3 -21.159   2.422  -7.727
  496    HZ3  LYS   3           HZ3      LYS   3 -22.028   1.009  -7.712
  497    H    DAL   4           HN       DAL   4 -20.816  -0.235  -4.128
  498    HA   DAL   4           HA       DAL   4 -23.036   0.289  -2.913
  499    HB1  DAL   4           HB1      DAL   4 -24.657  -0.380  -5.097
  500    HB2  DAL   4           HB2      DAL   4 -25.096   0.022  -3.439
  501    HB3  DAL   4           HB3      DAL   4 -24.238  -1.471  -3.782
  502    H    DAL   5           HN       DAL   5 -20.672   1.798  -3.775
  503    HA   DAL   5           HA       DAL   5 -19.723   4.198  -3.946
  504    HB1  DAL   5           HB1      DAL   5 -21.866   3.911  -2.283
  505    HB2  DAL   5           HB2      DAL   5 -22.611   4.891  -3.550
  506    HB3  DAL   5           HB3      DAL   5 -21.233   5.458  -2.630
  507    H1   ALA   1           HN       ALA   1  11.333  10.767   4.103
  508    HA   ALA   1           HA       ALA   1  11.359  11.574   6.772
  509    HB1  ALA   1           HB1      ALA   1  10.629   9.225   7.144
  510    HB2  ALA   1           HB2      ALA   1  12.126   9.662   7.981
  511    HB3  ALA   1           HB3      ALA   1  12.184   8.697   6.502
  512    H    DGL   2           HN       DGL   2  13.861   9.777   7.408
  513    HA   DGL   2           HA       DGL   2  15.846   9.473   6.766
  514    HB2  DGL   2           HB1      DGL   2  16.788  12.110   5.781
  515    HB3  DGL   2           HB2      DGL   2  16.837  11.693   7.471
  516    HG2  DGL   2           HG1      DGL   2  15.334  13.333   7.959
  517    HG3  DGL   2           HG2      DGL   2  14.138  12.670   6.879
  518    H    LYS   3           HN       LYS   3  14.936  13.085   4.473
  519    HA   LYS   3           HA       LYS   3  15.062  14.464   2.809
  520    HB2  LYS   3           HB2      LYS   3  13.372  15.614   4.214
  521    HB3  LYS   3           HB1      LYS   3  14.623  16.792   4.647
  522    HG2  LYS   3           HG2      LYS   3  14.704  16.290   1.814
  523    HG3  LYS   3           HG1      LYS   3  13.053  16.662   2.280
  524    HD2  LYS   3           HD2      LYS   3  13.417  18.864   2.232
  525    HD3  LYS   3           HD1      LYS   3  14.519  18.591   3.528
  526    HE2  LYS   3           HE1      LYS   3  15.187  19.182   0.762
  527    HE3  LYS   3           HE2      LYS   3  15.997  19.585   2.464
  528    HZ1  LYS   3           HZ1      LYS   3  17.692  18.716   0.932
  529    HZ2  LYS   3           HZ2      LYS   3  16.695  17.320   0.682
  530    HZ3  LYS   3           HZ3      LYS   3  17.315  17.705   2.203
  531    H    DAL   4           HN       DAL   4  17.115  13.383   3.429
  532    HA   DAL   4           HA       DAL   4  19.530  13.067   2.679
  533    HB1  DAL   4           HB1      DAL   4  20.284  14.920   4.642
  534    HB2  DAL   4           HB2      DAL   4  21.263  13.752   3.757
  535    HB3  DAL   4           HB3      DAL   4  20.053  13.196   4.903
  536    H    DAL   5           HN       DAL   5  18.440  13.446   0.485
  537    HA   DAL   5           HA       DAL   5  18.319  14.428  -1.905
  538    HB1  DAL   5           HB1      DAL   5  20.778  14.324  -0.768
  539    HB2  DAL   5           HB2      DAL   5  20.562  16.078  -0.774
  540    HB3  DAL   5           HB3      DAL   5  20.559  15.139  -2.253
  541    H12  P1W 103           H12      TPL  10 -11.002  -5.105  -1.038
  542    H11  P1W 103           H11      TPL  10 -11.139  -6.825  -1.417
  543    H2   P1W 103           H2       TPL  10  -8.925  -5.430  -2.838
  544    H43  P1W 103           H42      TPL  10  -9.072  -5.650  -5.213
  545    H42  P1W 103           H41      TPL  10 -10.658  -5.623  -5.974
  546    H51  P1W 103           H51      TPL  10 -12.590  -4.866  -4.747
  547    H52  P1W 103           H52      TPL  10 -12.560  -4.847  -2.981
  548    H53  P1W 103           H53      TPL  10 -12.647  -6.383  -3.846
  549    H12  P1W 104           H12      TPL  11 -10.833  -3.223  -5.267
  550    H11  P1W 104           H11      TPL  11  -9.100  -3.293  -4.935
  551    H2   P1W 104           H2       TPL  11 -10.478  -3.701  -7.617
  552    H43  P1W 104           H42      TPL  11  -7.250  -2.420  -9.043
  553    H42  P1W 104           H41      TPL  11  -8.473  -3.632  -9.435
  554    H51  P1W 104           H51      TPL  11  -6.971  -3.180  -6.017
  555    H52  P1W 104           H52      TPL  11  -7.893  -1.693  -5.800
  556    H53  P1W 104           H53      TPL  11  -6.721  -1.825  -7.108
  557    H12  P1W 105           H12      TPL  11   3.450 -10.535  -8.516
  558    H11  P1W 105           H11      TPL  11   2.612  -9.523  -7.342
  559    H2   P1W 105           H2       TPL  11   2.417  -7.768  -9.276
  560    H43  P1W 105           H42      TPL  11   0.525  -9.381 -11.928
  561    H42  P1W 105           H41      TPL  11   0.977  -7.813 -11.254
  562    H51  P1W 105           H51      TPL  11   1.885 -11.544 -10.111
  563    H52  P1W 105           H52      TPL  11   3.482 -11.086 -10.708
  564    H53  P1W 105           H53      TPL  11   2.110 -11.158 -11.814
  565    H12  P1W 106           H12      TPL  12  -9.239  -1.720 -10.546
  566    H11  P1W 106           H11      TPL  12 -10.176  -1.716  -9.055
  567    H2   P1W 106           H2       TPL  12  -8.713   0.020  -8.102
  568    H43  P1W 106           H43      TPL  12  -7.798   2.717 -10.459
  569    H41  P1W 106           H41      TPL  12  -6.574   1.977  -9.424
  570    H42  P1W 106           H42      TPL  12  -8.167   2.358  -8.770
  571    H51  P1W 106           H51      TPL  12  -7.337   1.044 -11.979
  572    H52  P1W 106           H52      TPL  12  -8.965   0.374 -11.992
  573    H53  P1W 106           H53      TPL  12  -7.588  -0.672 -11.655
  574    H12  P1W 107           H12      TPL  12   3.272  -8.384 -12.475
  575    H11  P1W 107           H11      TPL  12   2.206  -9.359 -13.483
  576    H2   P1W 107           H2       TPL  12   0.791  -7.265 -13.844
  577    H43  P1W 107           H43      TPL  12   2.800  -4.157 -14.418
  578    H41  P1W 107           H41      TPL  12   1.137  -4.734 -14.271
  579    H42  P1W 107           H42      TPL  12   2.118  -5.212 -15.658
  580    H51  P1W 107           H51      TPL  12   4.584  -5.367 -13.981
  581    H52  P1W 107           H52      TPL  12   4.568  -7.098 -13.658
  582    H53  P1W 107           H53      TPL  12   4.176  -5.962 -12.371
  583    H12  P1W 103           H12      TPL  10   6.593 -10.540  -4.544
  584    H11  P1W 103           H11      TPL  10   7.848 -10.325  -5.767
  585    H2   P1W 103           H2       TPL  10   5.653  -8.268  -5.622
  586    H43  P1W 103           H42      TPL  10   4.315  -7.896  -7.378
  587    H42  P1W 103           H41      TPL  10   4.996  -8.518  -8.880
  588    H51  P1W 103           H51      TPL  10   6.739 -11.306  -7.746
  589    H52  P1W 103           H52      TPL  10   5.201 -11.197  -8.605
  590    H53  P1W 103           H53      TPL  10   5.236 -11.773  -6.939
  591    H12  P1W 103           H12      TPL  10 -10.352  10.446  -2.621
  592    H11  P1W 103           H11      TPL  10 -12.048  10.212  -3.019
  593    H2   P1W 103           H2       TPL  10 -10.521   8.293  -4.539
  594    H43  P1W 103           H42      TPL  10  -8.684   9.937  -6.838
  595    H42  P1W 103           H41      TPL  10  -9.946   8.703  -6.830
  596    H51  P1W 103           H51      TPL  10  -9.364  12.104  -5.801
  597    H52  P1W 103           H52      TPL  10  -9.310  11.715  -4.080
  598    H53  P1W 103           H53      TPL  10 -10.843  12.145  -4.843
  599    H12  P1W 103           H12      TPL  10  11.734   6.349  -3.834
  600    H11  P1W 103           H11      TPL  10  10.793   6.958  -2.469
  601    H2   P1W 103           H2       TPL  10   8.756   6.564  -3.570
  602    H43  P1W 103           H42      TPL  10   7.769   4.479  -6.163
  603    H42  P1W 103           H41      TPL  10   7.379   5.908  -5.221
  604    H51  P1W 103           H51      TPL  10  10.783   4.771  -6.694
  605    H52  P1W 103           H52      TPL  10   9.981   3.444  -5.849
  606    H53  P1W 103           H53      TPL  10  11.281   4.338  -5.057
  607    H12  P1W 104           H12      TPL  11 -11.445  10.882  -7.329
  608    H11  P1W 104           H11      TPL  11  -9.935  11.419  -8.058
  609    H2   P1W 104           H2       TPL  11 -11.852   9.556  -9.177
  610    H43  P1W 104           H42      TPL  11  -9.255   8.345 -11.648
  611    H42  P1W 104           H41      TPL  11 -10.720   7.736 -10.877
  612    H51  P1W 104           H51      TPL  11  -8.087  10.068 -10.933
  613    H52  P1W 104           H52      TPL  11  -7.844   9.355  -9.338
  614    H53  P1W 104           H53      TPL  11  -8.463  10.999  -9.486
  615    H12  P1W 105           H12      TPL  11   9.072   6.180  -7.639
  616    H11  P1W 105           H11      TPL  11   7.316   6.089  -7.793
  617    H2   P1W 105           H2       TPL  11   7.236   7.993  -6.032
  618    H43  P1W 105           H42      TPL  11   9.469  10.736  -7.185
  619    H42  P1W 105           H41      TPL  11   7.848  10.432  -6.556
  620    H51  P1W 105           H51      TPL  11  10.755   7.522  -7.257
  621    H52  P1W 105           H52      TPL  11  10.922   9.219  -7.712
  622    H53  P1W 105           H53      TPL  11  10.031   8.107  -8.750
  623    H12  P1W 106           H12      TPL  12 -11.474   8.688 -12.890
  624    H11  P1W 106           H11      TPL  12 -11.824   9.916 -11.676
  625    H2   P1W 106           H2       TPL  12  -9.443   9.923 -13.566
  626    H43  P1W 106           H43      TPL  12  -9.908  13.579 -13.849
  627    H41  P1W 106           H41      TPL  12  -9.080  12.194 -14.562
  628    H42  P1W 106           H42      TPL  12  -8.485  12.897 -13.058
  629    H51  P1W 106           H51      TPL  12 -10.934  13.464 -11.796
  630    H52  P1W 106           H52      TPL  12 -11.156  11.961 -10.906
  631    H53  P1W 106           H53      TPL  12 -12.229  12.353 -12.246
  632    H12  P1W 107           H12      TPL  12   8.939  11.153  -4.647
  633    H11  P1W 107           H11      TPL  12   9.155   9.410  -4.516
  634    H2   P1W 107           H2       TPL  12  11.463   9.563  -4.966
  635    H43  P1W 107           H43      TPL  12  13.431  12.068  -6.112
  636    H41  P1W 107           H41      TPL  12  13.499  10.841  -4.844
  637    H42  P1W 107           H42      TPL  12  13.341  12.546  -4.415
  638    H51  P1W 107           H51      TPL  12  11.527  13.762  -5.583
  639    H52  P1W 107           H52      TPL  12  10.321  13.243  -4.411
  640    H53  P1W 107           H53      TPL  12  10.075  12.916  -6.124
  641    H1   MUB 101           H1       NAM   6 -10.026  -6.728   5.691
  642    H2   MUB 101           H2       NAM   6  -7.787  -6.952   5.449
  643    HN2  MUB 101           HN2      NAM   6  -7.076  -7.586   3.362
  644    H81  MUB 101           H81      NAM   6  -6.035  -9.651   2.163
  645    H82  MUB 101           H82      NAM   6  -7.503  -9.221   1.288
  646    H83  MUB 101           H83      NAM   6  -7.299 -10.871   1.871
  647    H3   MUB 101           H3       NAM   6  -8.202 -10.050   5.542
  648    H9   MUB 101           H9       NAM   6  -7.804  -7.524   7.292
  649   H111  MUB 101          H111      NAM   6  -4.787  -7.341   6.941
  650   H112  MUB 101          H112      NAM   6  -5.700  -6.094   7.729
  651   H113  MUB 101          H113      NAM   6  -6.145  -6.459   6.099
  652    H4A  MUB 101           H4       NAM   6  -9.403  -8.510   7.857
  653    H5   MUB 101           H5       NAM   6 -11.196 -10.121   6.069
  654    H61  MUB 101           H61      NAM   6 -12.865  -8.869   6.594
  655    H62  MUB 101           H62      NAM   6 -11.987  -7.328   6.678
  656    HO6  MUB 101           HO6      NAM   6 -12.019  -9.672   8.507
  657    H1   NAG 102           H1       NAG   7  -8.108 -11.410   6.702
  658    H2   NAG 102           H2       NAG   7  -9.999 -12.823   8.734
  659    H3   NAG 102           H3       NAG   7  -7.826 -14.094   7.008
  660    H4   NAG 102           H4       NAG   7 -10.760 -14.538   6.615
  661    H5   NAG 102           H5       NAG   7  -8.807 -12.762   4.819
  662    H61  NAG 102           H61      NAG   7 -11.798 -13.074   4.533
  663    H62  NAG 102           H62      NAG   7 -10.571 -13.875   3.561
  664    H81  NAG 102           H81      NAG   7  -6.214 -11.152  10.557
  665    H82  NAG 102           H82      NAG   7  -4.909 -11.876   9.636
  666    H83  NAG 102           H83      NAG   7  -5.891 -12.914  10.660
  667    HN2  NAG 102           HN2      NAG   7  -8.463 -12.404  10.069
  668    HO3  NAG 102           HO3      NAG   7  -8.865 -15.919   7.835
  669    HO4  NAG 102           HO4      NAG   7  -8.580 -15.063   4.920
  670    HO6  NAG 102           HO6      NAG   7 -10.088 -11.214   3.796
  671    H1   MUB 101           H1       NAM   6  12.317 -11.152  -6.430
  672    H2   MUB 101           H2       NAM   6  12.839  -9.035  -6.695
  673    HN2  MUB 101           HN2      NAM   6  11.201  -7.532  -6.941
  674    H81  MUB 101           H81      NAM   6   9.019  -6.976  -9.791
  675    H82  MUB 101           H82      NAM   6   9.964  -6.049  -8.628
  676    H83  MUB 101           H83      NAM   6   8.721  -7.152  -8.043
  677    H3   MUB 101           H3       NAM   6  12.160  -9.424  -9.761
  678    H9   MUB 101           H9       NAM   6  14.486  -8.882  -7.777
  679   H111  MUB 101          H111      NAM   6  14.056  -5.873  -7.710
  680   H112  MUB 101          H112      NAM   6  15.167  -6.660  -6.636
  681   H113  MUB 101          H113      NAM   6  13.523  -7.185  -6.560
  682    H4A  MUB 101           H4       NAM   6  14.700 -10.621  -8.592
  683    H5   MUB 101           H5       NAM   6  12.705 -12.532  -9.619
  684    H61  MUB 101           H61      NAM   6  12.814 -13.685  -7.623
  685    H62  MUB 101           H62      NAM   6  13.627 -12.350  -6.748
  686    HO6  MUB 101           HO6      NAM   6  14.766 -13.368  -9.239
  687    H1   NAG 102           H1       NAG   7  13.099  -9.402 -11.314
  688    H2   NAG 102           H2       NAG   7  14.606 -11.545 -12.976
  689    H3   NAG 102           H3       NAG   7  12.808  -9.358 -14.050
  690    H4   NAG 102           H4       NAG   7  12.091 -12.267 -14.075
  691    H5   NAG 102           H5       NAG   7  10.887  -9.988 -12.191
  692    H61  NAG 102           H61      NAG   7  10.242 -12.933 -12.163
  693    H62  NAG 102           H62      NAG   7   9.252 -11.633 -12.825
  694    H81  NAG 102           H81      NAG   7  16.936  -7.789 -12.054
  695    H82  NAG 102           H82      NAG   7  16.007  -6.510 -12.815
  696    H83  NAG 102           H83      NAG   7  16.775  -7.716 -13.839
  697    HN2  NAG 102           HN2      NAG   7  16.089 -10.128 -12.885
  698    HO3  NAG 102           HO3      NAG   7  13.041 -11.095 -15.771
  699    HO4  NAG 102           HO4      NAG   7  11.148 -11.087 -15.587
  700    HO6  NAG 102           HO6      NAG   7  10.323 -11.410 -10.253
  701    H1   MUB 101           H1       NAM   6 -12.793   4.298  -0.625
  702    H2   MUB 101           H2       NAM   6 -11.446   3.355  -2.145
  703    HN2  MUB 101           HN2      NAM   6 -10.322   4.859  -3.382
  704    H81  MUB 101           H81      NAM   6 -10.436   5.455  -6.302
  705    H82  MUB 101           H82      NAM   6 -10.091   6.561  -4.974
  706    H83  MUB 101           H83      NAM   6 -11.446   6.901  -6.046
  707    H3   MUB 101           H3       NAM   6 -13.644   3.987  -4.284
  708    H9   MUB 101           H9       NAM   6 -12.388   1.708  -2.567
  709   H111  MUB 101          H111      NAM   6 -10.040   1.447  -4.474
  710   H112  MUB 101          H112      NAM   6 -10.089   0.528  -3.002
  711   H113  MUB 101          H113      NAM   6 -10.183   2.247  -2.840
  712    H4A  MUB 101           H4       NAM   6 -14.193   2.003  -2.057
  713    H5   MUB 101           H5       NAM   6 -15.910   4.407  -2.289
  714    H61  MUB 101           H61      NAM   6 -15.919   4.699  -0.060
  715    H62  MUB 101           H62      NAM   6 -14.509   3.598   0.196
  716    HO6  MUB 101           HO6      NAM   6 -16.766   2.614  -1.291
  717    H1   NAG 102           H1       NAG   7 -14.856   2.974  -5.214
  718    H2   NAG 102           H2       NAG   7 -17.700   1.773  -4.807
  719    H3   NAG 102           H3       NAG   7 -16.592   2.866  -7.382
  720    H4   NAG 102           H4       NAG   7 -18.738   4.244  -5.813
  721    H5   NAG 102           H5       NAG   7 -15.673   5.083  -6.090
  722    H61  NAG 102           H61      NAG   7 -17.826   6.435  -4.477
  723    H62  NAG 102           H62      NAG   7 -17.129   6.994  -5.983
  724    H81  NAG 102           H81      NAG   7 -14.019  -0.716  -7.499
  725    H82  NAG 102           H82      NAG   7 -15.626  -1.351  -7.194
  726    H83  NAG 102           H83      NAG   7 -14.508  -1.208  -5.845
  727    HN2  NAG 102           HN2      NAG   7 -16.698   0.039  -5.184
  728    HO3  NAG 102           HO3      NAG   7 -19.271   2.627  -6.765
  729    HO4  NAG 102           HO4      NAG   7 -18.729   4.661  -7.900
  730    HO6  NAG 102           HO6      NAG   7 -15.343   6.219  -4.004
  731    H1   MUB 101           H1       NAM   6  10.495   6.390   3.208
  732    H2   MUB 101           H2       NAM   6   8.730   7.693   2.779
  733    HN2  MUB 101           HN2      NAM   6   7.819   7.272   0.698
  734    H81  MUB 101           H81      NAM   6   8.046   7.227  -1.822
  735    H82  MUB 101           H82      NAM   6   8.919   8.620  -2.460
  736    H83  MUB 101           H83      NAM   6   7.452   8.879  -1.521
  737    H3   MUB 101           H3       NAM   6  10.576   9.447   0.947
  738    H9   MUB 101           H9       NAM   6   9.376   9.052   3.771
  739   H111  MUB 101          H111      NAM   6   6.771  10.475   3.120
  740   H112  MUB 101          H112      NAM   6   6.991   9.619   4.613
  741   H113  MUB 101          H113      NAM   6   7.190   8.700   3.162
  742    H4A  MUB 101           H4       NAM   6  11.358   9.035   3.853
  743    H5   MUB 101           H5       NAM   6  13.216   8.179   1.642
  744    H61  MUB 101           H61      NAM   6  14.193   6.865   2.990
  745    H62  MUB 101           H62      NAM   6  12.721   6.176   3.718
  746    HO6  MUB 101           HO6      NAM   6  14.250   8.640   4.215
  747    H1   NAG 102           H1       NAG   7  11.488  11.013   1.177
  748    H2   NAG 102           H2       NAG   7  14.147  12.149   2.333
  749    H3   NAG 102           H3       NAG   7  12.512  13.204  -0.015
  750    H4   NAG 102           H4       NAG   7  15.208  11.933  -0.278
  751    H5   NAG 102           H5       NAG   7  12.383  10.656  -1.044
  752    H61  NAG 102           H61      NAG   7  15.119   9.389  -1.164
  753    H62  NAG 102           H62      NAG   7  14.128   9.929  -2.516
  754    H81  NAG 102           H81      NAG   7   9.479  14.462   3.010
  755    H82  NAG 102           H82      NAG   7  10.992  15.190   3.518
  756    H83  NAG 102           H83      NAG   7  10.439  13.737   4.340
  757    HN2  NAG 102           HN2      NAG   7  12.843  13.225   3.546
  758    HO3  NAG 102           HO3      NAG   7  15.129  13.707   0.967
  759    HO4  NAG 102           HO4      NAG   7  14.379  13.412  -1.784
  760    HO6  NAG 102           HO6      NAG   7  12.667   8.408  -0.875
  Start of MODEL    3
    1    H    ZAE   1           HN1      DPH   1   7.298 -16.996  -3.334
    2    HA   ZAE   1           HA       DPH   1   6.832 -15.275  -4.915
    3    HB2  ZAE   1           HB1      DPH   1   9.230 -14.298  -3.378
    4    HB3  ZAE   1           HB2      DPH   1   9.250 -15.857  -4.195
    5    HD1  ZAE   1           HD1      DPH   1   9.070 -15.972  -6.661
    6    HD2  ZAE   1           HD2      DPH   1   9.378 -12.246  -4.611
    7    HE1  ZAE   1           HE1      DPH   1   9.703 -14.863  -8.769
    8    HE2  ZAE   1           HE2      DPH   1  10.008 -11.136  -6.718
    9    HZ   ZAE   1           HZ       DPH   1  10.170 -12.444  -8.799
   10    H11  ZAE   1          HN11      DPH   1   7.341 -16.625  -0.987
   11    H12  ZAE   1          HN12      DPH   1   7.279 -14.886  -1.284
   12    H13  ZAE   1          HN13      DPH   1   8.684 -15.819  -1.803
   13    HN2  ZAE   1           HN2      DPH   1   5.923 -16.130  -2.863
   14    H    ILE   2           HN       ILE   2   4.968 -14.099  -4.382
   15    HA   ILE   2           HA       ILE   2   5.563 -11.373  -3.606
   16    HB   ILE   2           HB       ILE   2   3.946 -12.322  -5.551
   17   HG12  ILE   2          HG12      ILE   2   3.416  -9.781  -3.987
   18   HG13  ILE   2          HG11      ILE   2   4.625  -9.975  -5.254
   19   HG21  ILE   2          HG21      ILE   2   2.066 -11.879  -3.210
   20   HG22  ILE   2          HG22      ILE   2   2.380 -13.406  -4.034
   21   HG23  ILE   2          HG23      ILE   2   1.588 -12.091  -4.895
   22   HD11  ILE   2          HD11      ILE   2   2.962  -8.998  -6.414
   23   HD12  ILE   2          HD12      ILE   2   1.684  -9.758  -5.464
   24   HD13  ILE   2          HD13      ILE   2   2.562 -10.696  -6.674
   25    H    SER   3           HN       SER   3   4.802 -10.340  -1.815
   26    HA   SER   3           HA       SER   3   2.970 -11.762  -0.047
   27    HB2  SER   3           HB2      SER   3   4.320 -10.979   1.948
   28    HB3  SER   3           HB1      SER   3   4.974 -12.341   1.050
   29    HG   SER   3           HG       SER   3   6.180 -10.419  -0.074
   30    H    DAR   4           HN       DAR   4   1.991 -10.432   1.547
   31    HA   DAR   4           HA       DAR   4   1.788  -7.624   0.699
   32    HB2  DAR   4           HB1      DAR   4   0.826  -8.073   3.364
   33    HB3  DAR   4           HB2      DAR   4   2.104  -6.998   2.813
   34    HG2  DAR   4           HG1      DAR   4   2.756  -9.876   3.008
   35    HG3  DAR   4           HG2      DAR   4   2.539  -8.979   4.516
   36    HD2  DAR   4           HD1      DAR   4   4.063  -7.243   3.135
   37    HD3  DAR   4           HD2      DAR   4   4.636  -8.768   2.463
   38    HE   DAR   4           HE       DAR   4   4.542  -8.644   5.348
   39   HH11  DAR   4          HH21      DAR   4   8.043  -9.110   5.441
   40   HH12  DAR   4          HH22      DAR   4   6.519  -9.166   6.404
   41   HH21  DAR   4          HH11      DAR   4   7.954  -8.660   3.154
   42   HH22  DAR   4          HH12      DAR   4   6.376  -8.244   2.396
   43    HA   28J   5           HA       28J   5  -2.483  -8.382   1.214
   44    H22  28J   5           HB       28J   5  -1.735  -9.177  -1.199
   45    H23  28J   5          HG21      28J   5  -4.549  -8.658  -0.255
   46    H24  28J   5          HG22      28J   5  -3.613 -10.145  -0.096
   47    H25  28J   5          HG23      28J   5  -4.178  -9.623  -1.684
   48    H26  28J   5          HG11      28J   5  -1.860  -6.882  -2.186
   49    H27  28J   5          HG12      28J   5  -3.579  -6.847  -1.807
   50    H28  28J   5          HD11      28J   5  -3.276  -7.369  -4.131
   51    H29  28J   5          HD12      28J   5  -3.923  -8.779  -3.293
   52    H30  28J   5          HD13      28J   5  -2.214  -8.718  -3.728
   53    H    ILE   6           HN       ILE   6  -4.515  -7.352   0.938
   54    HA   ILE   6           HA       ILE   6  -4.358  -4.412   0.879
   55    HB   ILE   6           HB       ILE   6  -5.444  -4.773  -1.087
   56   HG12  ILE   6          HG12      ILE   6  -7.686  -4.943   0.915
   57   HG13  ILE   6          HG11      ILE   6  -6.963  -3.473   0.271
   58   HG21  ILE   6          HG21      ILE   6  -5.425  -7.116  -1.277
   59   HG22  ILE   6          HG22      ILE   6  -7.122  -6.664  -1.457
   60   HG23  ILE   6          HG23      ILE   6  -6.541  -7.317   0.073
   61   HD11  ILE   6          HD11      ILE   6  -7.750  -4.161  -1.967
   62   HD12  ILE   6          HD12      ILE   6  -9.034  -3.835  -0.801
   63   HD13  ILE   6          HD13      ILE   6  -8.596  -5.499  -1.191
   64    H    SER   7           HN       SER   7  -4.893  -3.572   2.849
   65    HA   SER   7           HA       SER   7  -7.135  -4.814   4.323
   66    HB2  SER   7           HB2      SER   7  -4.867  -3.392   5.692
   67    HB3  SER   7           HB1      SER   7  -6.092  -4.443   6.411
   68    HG   SER   7           HG       SER   7  -4.567  -5.583   4.430
   69    H    DTH   8           HN       DTC   8  -8.038  -3.318   6.009
   70    HA   DTH   8           HA       DTC   8  -8.172  -0.554   4.958
   71    HB   DTH   8           HB       DTC   8  -8.854   0.236   7.187
   72   HG21  DTH   8          HG21      DTC   8  -6.433   0.074   6.693
   73   HG22  DTH   8          HG22      DTC   8  -6.409  -1.566   7.344
   74   HG23  DTH   8          HG23      DTC   8  -6.774  -0.203   8.399
   75    H    ALA   9           HN       ALA   9  -9.879  -3.455   5.580
   76    HA   ALA   9           HA       ALA   9 -12.349  -2.393   4.496
   77    HB1  ALA   9           HB1      ALA   9 -11.566  -4.688   3.915
   78    HB2  ALA   9           HB2      ALA   9 -13.176  -4.685   4.635
   79    HB3  ALA   9           HB3      ALA   9 -11.779  -5.157   5.600
   80    H    LEU  10           HN       LEU  10 -11.699  -4.435   7.303
   81    HA   LEU  10           HA       LEU  10 -13.961  -3.314   8.724
   82    HB2  LEU  10           HB2      LEU  10 -11.942  -5.327   9.714
   83    HB3  LEU  10           HB1      LEU  10 -13.539  -5.014  10.362
   84    HG   LEU  10           HG       LEU  10 -14.152  -6.830   9.215
   85   HD11  LEU  10          HD11      LEU  10 -15.269  -5.124   7.986
   86   HD12  LEU  10          HD12      LEU  10 -14.790  -6.412   6.881
   87   HD13  LEU  10          HD13      LEU  10 -13.876  -4.906   6.929
   88   HD21  LEU  10          HD21      LEU  10 -12.930  -7.851   7.357
   89   HD22  LEU  10          HD22      LEU  10 -11.862  -7.543   8.726
   90   HD23  LEU  10          HD23      LEU  10 -11.825  -6.479   7.320
   91    H    ILE  11           HN       ILE  11 -10.477  -3.534   8.969
   92    HA   ILE  11           HA       ILE  11 -10.566  -1.365  10.983
   93    HB   ILE  11           HB       ILE  11  -8.254  -3.239  10.441
   94   HG12  ILE  11          HG12      ILE  11 -10.101  -3.227  12.831
   95   HG13  ILE  11          HG11      ILE  11 -10.342  -4.291  11.451
   96   HG21  ILE  11          HG21      ILE  11  -8.752  -1.224  12.633
   97   HG22  ILE  11          HG22      ILE  11  -7.594  -1.058  11.313
   98   HG23  ILE  11          HG23      ILE  11  -7.365  -2.310  12.535
   99   HD11  ILE  11          HD11      ILE  11  -7.909  -4.237  13.219
  100   HD12  ILE  11          HD12      ILE  11  -8.187  -5.332  11.864
  101   HD13  ILE  11          HD13      ILE  11  -9.217  -5.417  13.294
  102    H    ZAE   1           HN1      DPH   1  -8.104   6.068   3.534
  103    HA   ZAE   1           HA       DPH   1  -8.959   4.395   2.079
  104    HB2  ZAE   1           HB1      DPH   1  -9.401   3.358   4.885
  105    HB3  ZAE   1           HB2      DPH   1 -10.087   4.881   4.343
  106    HD1  ZAE   1           HD1      DPH   1 -12.178   4.896   3.299
  107    HD2  ZAE   1           HD2      DPH   1  -9.994   1.237   3.494
  108    HE1  ZAE   1           HE1      DPH   1 -14.131   3.671   2.440
  109    HE2  ZAE   1           HE2      DPH   1 -11.956   0.019   2.611
  110    HZ   ZAE   1           HZ       DPH   1 -14.022   1.245   2.087
  111    H11  ZAE   1          HN11      DPH   1  -7.995   4.983   5.588
  112    H12  ZAE   1          HN12      DPH   1  -6.382   5.561   5.171
  113    H13  ZAE   1          HN13      DPH   1  -6.788   3.858   4.960
  114    HN2  ZAE   1           HN2      DPH   1  -6.803   5.205   2.878
  115    H    ILE   2           HN       ILE   2  -7.308   3.119   0.909
  116    HA   ILE   2           HA       ILE   2  -7.215   0.450   2.131
  117    HB   ILE   2           HB       ILE   2  -7.903   0.731  -0.282
  118   HG12  ILE   2          HG12      ILE   2  -6.012  -1.196   0.874
  119   HG13  ILE   2          HG11      ILE   2  -7.468  -1.490  -0.072
  120   HG21  ILE   2          HG21      ILE   2  -5.944   0.912  -1.902
  121   HG22  ILE   2          HG22      ILE   2  -4.989   1.451  -0.519
  122   HG23  ILE   2          HG23      ILE   2  -6.390   2.384  -1.036
  123   HD11  ILE   2          HD11      ILE   2  -6.308  -1.334  -2.089
  124   HD12  ILE   2          HD12      ILE   2  -5.284  -2.307  -1.032
  125   HD13  ILE   2          HD13      ILE   2  -4.901  -0.608  -1.318
  126    H    SER   3           HN       SER   3  -5.606  -0.445   3.053
  127    HA   SER   3           HA       SER   3  -2.925   0.648   2.627
  128    HB2  SER   3           HB2      SER   3  -2.351   0.058   4.945
  129    HB3  SER   3           HB1      SER   3  -3.514   1.369   4.814
  130    HG   SER   3           HG       SER   3  -5.092  -0.543   5.118
  131    H    DAR   4           HN       DAR   4  -1.227  -0.668   3.135
  132    HA   DAR   4           HA       DAR   4  -1.722  -3.457   2.374
  133    HB2  DAR   4           HB1      DAR   4   0.756  -3.023   3.836
  134    HB3  DAR   4           HB2      DAR   4  -0.463  -4.270   4.045
  135    HG2  DAR   4           HG1      DAR   4  -1.786  -2.275   5.165
  136    HG3  DAR   4           HG2      DAR   4  -0.136  -1.699   5.443
  137    HD2  DAR   4           HD1      DAR   4   0.393  -3.981   6.317
  138    HD3  DAR   4           HD2      DAR   4  -1.335  -4.322   6.263
  139    HE   DAR   4           HE       DAR   4   0.014  -2.458   8.056
  140   HH11  DAR   4          HH21      DAR   4  -2.877  -2.416  10.043
  141   HH12  DAR   4          HH22      DAR   4  -1.177  -1.849   9.898
  142   HH21  DAR   4          HH11      DAR   4  -3.843  -3.612   8.348
  143   HH22  DAR   4          HH12      DAR   4  -2.886  -4.008   6.871
  144    HA   28J   5           HA       28J   5   1.893  -2.680   0.156
  145    H22  28J   5           HB       28J   5  -0.052  -1.593  -1.113
  146    H23  28J   5          HG21      28J   5   1.300  -1.489  -3.234
  147    H24  28J   5          HG22      28J   5   2.391  -2.665  -2.500
  148    H25  28J   5          HG23      28J   5   2.162  -1.084  -1.752
  149    H26  28J   5          HG11      28J   5  -1.168  -3.709  -1.761
  150    H27  28J   5          HG12      28J   5   0.232  -4.128  -2.744
  151    H28  28J   5          HD11      28J   5  -1.569  -1.756  -3.181
  152    H29  28J   5          HD12      28J   5  -1.580  -3.255  -4.108
  153    H30  28J   5          HD13      28J   5  -0.175  -2.192  -4.168
  154    H    ILE   6           HN       ILE   6   3.331  -3.833  -0.953
  155    HA   ILE   6           HA       ILE   6   2.873  -6.636  -1.207
  156    HB   ILE   6           HB       ILE   6   1.738  -6.237  -3.166
  157   HG12  ILE   6          HG12      ILE   6   4.048  -7.612  -3.388
  158   HG13  ILE   6          HG11      ILE   6   2.790  -7.613  -4.606
  159   HG21  ILE   6          HG21      ILE   6   2.653  -4.857  -5.125
  160   HG22  ILE   6          HG22      ILE   6   3.622  -4.058  -3.904
  161   HG23  ILE   6          HG23      ILE   6   1.858  -4.005  -3.797
  162   HD11  ILE   6          HD11      ILE   6   5.311  -5.968  -4.573
  163   HD12  ILE   6          HD12      ILE   6   4.043  -5.839  -5.797
  164   HD13  ILE   6          HD13      ILE   6   4.935  -7.349  -5.602
  165    H    SER   7           HN       SER   7   4.747  -7.809  -1.264
  166    HA   SER   7           HA       SER   7   7.247  -6.534  -2.002
  167    HB2  SER   7           HB2      SER   7   8.105  -7.315   0.357
  168    HB3  SER   7           HB1      SER   7   7.390  -5.711   0.143
  169    HG   SER   7           HG       SER   7   5.361  -7.249   0.581
  170    H    DTH   8           HN       DTC   8   9.057  -8.040  -1.073
  171    HA   DTH   8           HA       DTC   8   8.225 -10.872  -1.281
  172    HB   DTH   8           HB       DTC   8  10.398 -11.489  -0.268
  173   HG21  DTH   8          HG21      DTC   8   8.496 -11.108   1.248
  174   HG22  DTH   8          HG22      DTC   8   8.917  -9.396   1.375
  175   HG23  DTH   8          HG23      DTC   8  10.020 -10.628   1.986
  176    H    ALA   9           HN       ALA   9   9.746  -8.360  -2.956
  177    HA   ALA   9           HA       ALA   9  10.777 -10.032  -5.019
  178    HB1  ALA   9           HB1      ALA   9  10.875  -7.068  -4.503
  179    HB2  ALA   9           HB2      ALA   9   9.935  -7.927  -5.721
  180    HB3  ALA   9           HB3      ALA   9  11.687  -7.806  -5.882
  181    H    LEU  10           HN       LEU  10  12.597  -7.460  -3.290
  182    HA   LEU  10           HA       LEU  10  15.033  -9.029  -3.482
  183    HB2  LEU  10           HB2      LEU  10  15.863  -7.142  -1.839
  184    HB3  LEU  10           HB1      LEU  10  15.638  -6.821  -3.546
  185    HG   LEU  10           HG       LEU  10  13.222  -6.118  -2.702
  186   HD11  LEU  10          HD11      LEU  10  13.543  -6.619  -0.405
  187   HD12  LEU  10          HD12      LEU  10  13.538  -4.862  -0.551
  188   HD13  LEU  10          HD13      LEU  10  15.061  -5.727  -0.348
  189   HD21  LEU  10          HD21      LEU  10  14.147  -4.451  -3.839
  190   HD22  LEU  10          HD22      LEU  10  15.754  -4.721  -3.159
  191   HD23  LEU  10          HD23      LEU  10  14.548  -3.807  -2.250
  192    H    ILE  11           HN       ILE  11  12.935  -7.854  -0.942
  193    HA   ILE  11           HA       ILE  11  14.316  -9.728   0.891
  194    HB   ILE  11           HB       ILE  11  12.687  -7.253   1.431
  195   HG12  ILE  11          HG12      ILE  11  15.385  -8.238   2.407
  196   HG13  ILE  11          HG11      ILE  11  15.118  -6.971   1.215
  197   HG21  ILE  11          HG21      ILE  11  13.371  -9.422   3.410
  198   HG22  ILE  11          HG22      ILE  11  11.755  -9.002   2.841
  199   HG23  ILE  11          HG23      ILE  11  12.676  -7.851   3.809
  200   HD11  ILE  11          HD11      ILE  11  14.347  -6.865   4.126
  201   HD12  ILE  11          HD12      ILE  11  14.057  -5.592   2.940
  202   HD13  ILE  11          HD13      ILE  11  15.708  -6.035   3.372
  203    H    ZAE   1           HN1      DPH   1   7.328  -6.253   3.202
  204    HA   ZAE   1           HA       DPH   1   8.023  -4.778   1.433
  205    HB2  ZAE   1           HB1      DPH   1   8.780  -3.402   3.995
  206    HB3  ZAE   1           HB2      DPH   1   9.273  -5.065   3.708
  207    HD1  ZAE   1           HD1      DPH   1  11.222  -5.518   2.524
  208    HD2  ZAE   1           HD2      DPH   1   9.439  -1.654   2.208
  209    HE1  ZAE   1           HE1      DPH   1  13.182  -4.713   1.274
  210    HE2  ZAE   1           HE2      DPH   1  11.398  -0.848   0.947
  211    HZ   ZAE   1           HZ       DPH   1  13.268  -2.377   0.482
  212    H11  ZAE   1          HN11      DPH   1   6.044  -3.861   4.325
  213    H12  ZAE   1          HN12      DPH   1   7.208  -4.940   5.096
  214    H13  ZAE   1          HN13      DPH   1   5.574  -5.508   4.755
  215    HN2  ZAE   1           HN2      DPH   1   5.992  -5.534   2.454
  216    H    ILE   2           HN       ILE   2   6.500  -3.484   0.209
  217    HA   ILE   2           HA       ILE   2   6.430  -0.761   1.240
  218    HB   ILE   2           HB       ILE   2   6.888  -1.194  -1.181
  219   HG12  ILE   2          HG12      ILE   2   4.534   0.605  -0.531
  220   HG13  ILE   2          HG11      ILE   2   6.226   1.057  -0.465
  221   HG21  ILE   2          HG21      ILE   2   5.315  -2.971  -1.596
  222   HG22  ILE   2          HG22      ILE   2   4.995  -1.624  -2.687
  223   HG23  ILE   2          HG23      ILE   2   3.960  -1.887  -1.285
  224   HD11  ILE   2          HD11      ILE   2   5.817   0.216  -3.095
  225   HD12  ILE   2          HD12      ILE   2   5.942   1.885  -2.524
  226   HD13  ILE   2          HD13      ILE   2   4.368   1.106  -2.660
  227    H    SER   3           HN       SER   3   4.944   0.160   2.334
  228    HA   SER   3           HA       SER   3   2.265  -1.064   2.306
  229    HB2  SER   3           HB2      SER   3   3.173   0.322   4.727
  230    HB3  SER   3           HB1      SER   3   2.092  -1.058   4.539
  231    HG   SER   3           HG       SER   3   4.791  -1.357   3.888
  232    H    DAR   4           HN       DAR   4   0.547   0.305   2.908
  233    HA   DAR   4           HA       DAR   4   1.033   3.167   2.397
  234    HB2  DAR   4           HB1      DAR   4  -1.293   2.577   4.085
  235    HB3  DAR   4           HB2      DAR   4  -0.069   3.813   4.293
  236    HG2  DAR   4           HG1      DAR   4   0.811   1.078   4.942
  237    HG3  DAR   4           HG2      DAR   4  -0.453   1.743   5.983
  238    HD2  DAR   4           HD1      DAR   4   1.035   3.841   6.063
  239    HD3  DAR   4           HD2      DAR   4   2.308   2.778   5.483
  240    HE   DAR   4           HE       DAR   4   0.901   1.985   7.910
  241   HH11  DAR   4          HH21      DAR   4   3.988   2.146   9.638
  242   HH12  DAR   4          HH22      DAR   4   2.268   1.628   9.743
  243   HH21  DAR   4          HH11      DAR   4   4.787   3.106   7.699
  244   HH22  DAR   4          HH12      DAR   4   3.684   3.328   6.294
  245    HA   28J   5           HA       28J   5  -2.716   2.247   0.382
  246    H22  28J   5           HB       28J   5  -0.813   1.205  -0.969
  247    H23  28J   5          HG21      28J   5  -2.386   0.830  -2.877
  248    H24  28J   5          HG22      28J   5  -3.443   2.047  -2.167
  249    H25  28J   5          HG23      28J   5  -3.094   0.558  -1.285
  250    H26  28J   5          HG11      28J   5  -0.049   3.479  -1.809
  251    H27  28J   5          HG12      28J   5  -1.490   3.499  -2.822
  252    H28  28J   5          HD11      28J   5   0.461   2.776  -4.059
  253    H29  28J   5          HD12      28J   5  -0.742   1.492  -3.947
  254    H30  28J   5          HD13      28J   5   0.697   1.442  -2.928
  255    H    ILE   6           HN       ILE   6  -4.406   3.341  -0.598
  256    HA   ILE   6           HA       ILE   6  -3.813   6.098  -0.920
  257    HB   ILE   6           HB       ILE   6  -4.685   6.291  -3.356
  258   HG12  ILE   6          HG12      ILE   6  -3.450   3.668  -3.921
  259   HG13  ILE   6          HG11      ILE   6  -5.059   3.661  -3.194
  260   HG21  ILE   6          HG21      ILE   6  -2.436   7.021  -2.864
  261   HG22  ILE   6          HG22      ILE   6  -2.434   6.134  -4.387
  262   HG23  ILE   6          HG23      ILE   6  -1.843   5.363  -2.915
  263   HD11  ILE   6          HD11      ILE   6  -5.969   4.899  -4.992
  264   HD12  ILE   6          HD12      ILE   6  -4.997   3.624  -5.710
  265   HD13  ILE   6          HD13      ILE   6  -4.366   5.266  -5.644
  266    H    SER   7           HN       SER   7  -5.590   7.506  -0.894
  267    HA   SER   7           HA       SER   7  -8.182   6.469  -1.364
  268    HB2  SER   7           HB2      SER   7  -8.917   6.857   1.044
  269    HB3  SER   7           HB1      SER   7  -8.001   5.398   0.684
  270    HG   SER   7           HG       SER   7  -6.234   7.117   1.250
  271    H    DTH   8           HN       DTC   8  -9.738   7.956  -0.068
  272    HA   DTH   8           HA       DTC   8  -9.046  10.747  -0.439
  273    HB   DTH   8           HB       DTC   8 -10.860  11.354   1.080
  274   HG21  DTH   8          HG21      DTC   8 -10.129  10.320   3.207
  275   HG22  DTH   8          HG22      DTC   8  -8.718  10.703   2.217
  276   HG23  DTH   8          HG23      DTC   8  -9.301   9.042   2.320
  277    H    ALA   9           HN       ALA   9 -10.857   8.437  -2.067
  278    HA   ALA   9           HA       ALA   9 -12.246   9.870  -3.949
  279    HB1  ALA   9           HB1      ALA   9 -11.805   7.745  -4.625
  280    HB2  ALA   9           HB2      ALA   9 -13.472   7.545  -4.078
  281    HB3  ALA   9           HB3      ALA   9 -12.142   7.079  -3.024
  282    H    LEU  10           HN       LEU  10 -13.501   7.942  -1.361
  283    HA   LEU  10           HA       LEU  10 -16.250   9.021  -1.676
  284    HB2  LEU  10           HB2      LEU  10 -16.621   6.804  -0.090
  285    HB3  LEU  10           HB1      LEU  10 -16.861   6.830  -1.819
  286    HG   LEU  10           HG       LEU  10 -15.650   4.842  -1.181
  287   HD11  LEU  10          HD11      LEU  10 -14.894   6.716  -3.091
  288   HD12  LEU  10          HD12      LEU  10 -14.563   4.982  -3.082
  289   HD13  LEU  10          HD13      LEU  10 -13.397   6.108  -2.388
  290   HD21  LEU  10          HD21      LEU  10 -14.544   5.429   0.835
  291   HD22  LEU  10          HD22      LEU  10 -13.690   6.767   0.061
  292   HD23  LEU  10          HD23      LEU  10 -13.284   5.103  -0.355
  293    H    ILE  11           HN       ILE  11 -13.489   8.635   0.150
  294    HA   ILE  11           HA       ILE  11 -14.715   9.732   2.581
  295    HB   ILE  11           HB       ILE  11 -13.247   7.077   2.543
  296   HG12  ILE  11          HG12      ILE  11 -15.309   7.906   4.589
  297   HG13  ILE  11          HG11      ILE  11 -15.831   7.360   3.000
  298   HG21  ILE  11          HG21      ILE  11 -13.279   8.947   4.898
  299   HG22  ILE  11          HG22      ILE  11 -11.883   8.648   3.861
  300   HG23  ILE  11          HG23      ILE  11 -12.557   7.340   4.834
  301   HD11  ILE  11          HD11      ILE  11 -14.174   5.757   4.961
  302   HD12  ILE  11          HD12      ILE  11 -14.726   5.200   3.382
  303   HD13  ILE  11          HD13      ILE  11 -15.898   5.550   4.652
  304    H    ZAE   1           HN1      DPH   1  -7.434  16.744  -3.447
  305    HA   ZAE   1           HA       DPH   1  -7.456  14.725  -4.735
  306    HB2  ZAE   1           HB1      DPH   1  -9.702  14.546  -2.737
  307    HB3  ZAE   1           HB2      DPH   1  -9.583  15.882  -3.876
  308    HD1  ZAE   1           HD1      DPH   1  -9.466  15.275  -6.388
  309    HD2  ZAE   1           HD2      DPH   1 -10.748  12.567  -3.352
  310    HE1  ZAE   1           HE1      DPH   1 -10.633  13.921  -8.089
  311    HE2  ZAE   1           HE2      DPH   1 -11.912  11.214  -5.048
  312    HZ   ZAE   1           HZ       DPH   1 -11.855  11.887  -7.417
  313    H11  ZAE   1          HN11      DPH   1  -7.034  16.698  -1.073
  314    H12  ZAE   1          HN12      DPH   1  -7.396  14.972  -1.099
  315    H13  ZAE   1          HN13      DPH   1  -8.645  16.140  -1.534
  316    HN2  ZAE   1           HN2      DPH   1  -6.116  15.762  -3.049
  317    H    ILE   2           HN       ILE   2  -5.891  13.157  -4.394
  318    HA   ILE   2           HA       ILE   2  -6.752  10.817  -2.883
  319    HB   ILE   2           HB       ILE   2  -5.599  11.149  -5.354
  320   HG12  ILE   2          HG12      ILE   2  -5.335   8.629  -3.719
  321   HG13  ILE   2          HG11      ILE   2  -6.766   9.137  -4.603
  322   HG21  ILE   2          HG21      ILE   2  -3.423  11.750  -4.305
  323   HG22  ILE   2          HG22      ILE   2  -3.340  10.343  -5.365
  324   HG23  ILE   2          HG23      ILE   2  -3.346  10.126  -3.616
  325   HD11  ILE   2          HD11      ILE   2  -4.129   8.287  -5.682
  326   HD12  ILE   2          HD12      ILE   2  -5.350   9.118  -6.641
  327   HD13  ILE   2          HD13      ILE   2  -5.716   7.552  -5.917
  328    H    SER   3           HN       SER   3  -5.524   9.825  -1.083
  329    HA   SER   3           HA       SER   3  -3.147  11.374  -0.297
  330    HB2  SER   3           HB2      SER   3  -4.069  11.411   2.141
  331    HB3  SER   3           HB1      SER   3  -4.622  12.615   0.986
  332    HG   SER   3           HG       SER   3  -6.563  11.565   0.826
  333    H    DAR   4           HN       DAR   4  -1.901  10.413   1.409
  334    HA   DAR   4           HA       DAR   4  -2.162   7.476   1.458
  335    HB2  DAR   4           HB1      DAR   4  -0.646   8.581   3.700
  336    HB3  DAR   4           HB2      DAR   4  -1.970   7.425   3.711
  337    HG2  DAR   4           HG1      DAR   4  -2.663  10.288   3.281
  338    HG3  DAR   4           HG2      DAR   4  -2.187   9.769   4.906
  339    HD2  DAR   4           HD1      DAR   4  -3.835   7.765   4.320
  340    HD3  DAR   4           HD2      DAR   4  -4.536   8.976   3.259
  341    HE   DAR   4           HE       DAR   4  -4.239   9.670   6.063
  342   HH11  DAR   4          HH21      DAR   4  -7.684  10.195   6.277
  343   HH12  DAR   4          HH22      DAR   4  -6.098  10.331   7.116
  344   HH21  DAR   4          HH11      DAR   4  -7.736   9.333   4.074
  345   HH22  DAR   4          HH12      DAR   4  -6.209   8.706   3.358
  346    HA   28J   5           HA       28J   5   2.125   7.817   0.727
  347    H22  28J   5           HB       28J   5   1.005   8.553  -1.468
  348    H23  28J   5          HG21      28J   5   3.072   8.499  -2.715
  349    H24  28J   5          HG22      28J   5   3.680   7.160  -1.742
  350    H25  28J   5          HG23      28J   5   3.444   8.748  -1.012
  351    H26  28J   5          HG11      28J   5   0.141   6.285  -2.076
  352    H27  28J   5          HG12      28J   5   1.803   5.749  -2.287
  353    H28  28J   5          HD11      28J   5   0.608   6.292  -4.408
  354    H29  28J   5          HD12      28J   5   2.117   7.172  -4.169
  355    H30  28J   5          HD13      28J   5   0.573   7.976  -3.888
  356    H    ILE   6           HN       ILE   6   3.940   6.423   0.062
  357    HA   ILE   6           HA       ILE   6   3.368   3.568   0.546
  358    HB   ILE   6           HB       ILE   6   5.082   2.948  -1.032
  359   HG12  ILE   6          HG12      ILE   6   5.393   5.794  -1.926
  360   HG13  ILE   6          HG11      ILE   6   6.429   5.111  -0.685
  361   HG21  ILE   6          HG21      ILE   6   3.771   3.056  -2.890
  362   HG22  ILE   6          HG22      ILE   6   3.495   4.797  -2.747
  363   HG23  ILE   6          HG23      ILE   6   2.620   3.674  -1.708
  364   HD11  ILE   6          HD11      ILE   6   7.126   3.415  -2.295
  365   HD12  ILE   6          HD12      ILE   6   7.507   5.068  -2.784
  366   HD13  ILE   6          HD13      ILE   6   6.133   4.227  -3.501
  367    H    SER   7           HN       SER   7   4.609   2.566   2.192
  368    HA   SER   7           HA       SER   7   7.175   3.796   2.897
  369    HB2  SER   7           HB2      SER   7   6.411   3.622   5.379
  370    HB3  SER   7           HB1      SER   7   5.969   5.062   4.455
  371    HG   SER   7           HG       SER   7   3.985   3.711   3.955
  372    H    DTH   8           HN       DTC   8   7.630   2.660   5.247
  373    HA   DTH   8           HA       DTC   8   6.972  -0.187   5.059
  374    HB   DTH   8           HB       DTC   8   7.881  -0.464   7.247
  375   HG21  DTH   8          HG21      DTC   8   6.682   1.201   8.542
  376   HG22  DTH   8          HG22      DTC   8   5.723   0.786   7.122
  377   HG23  DTH   8          HG23      DTC   8   6.635   2.297   7.165
  378    H    ALA   9           HN       ALA   9   9.458   2.069   4.348
  379    HA   ALA   9           HA       ALA   9  10.968   0.245   2.980
  380    HB1  ALA   9           HB1      ALA   9  11.108   3.222   3.617
  381    HB2  ALA   9           HB2      ALA   9  10.577   2.481   2.117
  382    HB3  ALA   9           HB3      ALA   9  12.272   2.406   2.571
  383    H    LEU  10           HN       LEU  10  12.323   2.707   5.015
  384    HA   LEU  10           HA       LEU  10  14.180   0.908   6.268
  385    HB2  LEU  10           HB2      LEU  10  14.988   3.027   7.378
  386    HB3  LEU  10           HB1      LEU  10  15.026   3.004   5.627
  387    HG   LEU  10           HG       LEU  10  14.254   5.180   6.609
  388   HD11  LEU  10          HD11      LEU  10  13.162   5.492   4.710
  389   HD12  LEU  10          HD12      LEU  10  11.901   4.339   5.150
  390   HD13  LEU  10          HD13      LEU  10  13.401   3.771   4.420
  391   HD21  LEU  10          HD21      LEU  10  11.674   3.726   7.205
  392   HD22  LEU  10          HD22      LEU  10  12.068   5.416   7.522
  393   HD23  LEU  10          HD23      LEU  10  12.854   4.138   8.443
  394    H    ILE  11           HN       ILE  11  11.159   1.855   6.937
  395    HA   ILE  11           HA       ILE  11  11.286   0.947   9.722
  396    HB   ILE  11           HB       ILE  11  10.440   3.725   8.964
  397   HG12  ILE  11          HG12      ILE  11  11.587   2.662  11.558
  398   HG13  ILE  11          HG11      ILE  11  12.589   3.198  10.216
  399   HG21  ILE  11          HG21      ILE  11   9.236   2.160  11.239
  400   HG22  ILE  11          HG22      ILE  11   8.394   2.670   9.774
  401   HG23  ILE  11          HG23      ILE  11   8.990   3.876  10.915
  402   HD11  ILE  11          HD11      ILE  11  10.632   4.903  11.751
  403   HD12  ILE  11          HD12      ILE  11  11.642   5.447  10.412
  404   HD13  ILE  11          HD13      ILE  11  12.387   4.921  11.922
  405    H1   ALA   1           HN       ALA   1  -6.583 -11.809   9.867
  406    HA   ALA   1           HA       ALA   1  -5.465 -13.281  11.977
  407    HB1  ALA   1           HB1      ALA   1  -5.107 -11.156  13.043
  408    HB2  ALA   1           HB2      ALA   1  -6.327 -12.108  13.917
  409    HB3  ALA   1           HB3      ALA   1  -6.817 -10.795  12.845
  410    H    DGL   2           HN       DGL   2  -7.408 -13.887  13.684
  411    HA   DGL   2           HA       DGL   2  -9.594 -14.373  14.119
  412    HB2  DGL   2           HB1      DGL   2 -10.751 -15.680  12.155
  413    HB3  DGL   2           HB2      DGL   2  -9.250 -16.404  12.726
  414    HG2  DGL   2           HG1      DGL   2  -8.400 -16.373  10.668
  415    HG3  DGL   2           HG2      DGL   2  -8.575 -14.631  10.491
  416    H    LYS   3           HN       LYS   3 -10.348 -13.869   9.339
  417    HA   LYS   3           HA       LYS   3 -11.724 -13.778   7.654
  418    HB2  LYS   3           HB2      LYS   3 -10.047 -15.784   6.980
  419    HB3  LYS   3           HB1      LYS   3 -11.622 -16.558   6.716
  420    HG2  LYS   3           HG2      LYS   3 -10.737 -13.859   5.685
  421    HG3  LYS   3           HG1      LYS   3 -10.823 -15.332   4.738
  422    HD2  LYS   3           HD2      LYS   3 -12.827 -14.663   3.996
  423    HD3  LYS   3           HD1      LYS   3 -13.325 -15.145   5.580
  424    HE2  LYS   3           HE2      LYS   3 -12.589 -12.397   5.640
  425    HE3  LYS   3           HE1      LYS   3 -14.138 -12.984   4.628
  426    HZ1  LYS   3           HZ1      LYS   3 -15.425 -12.452   6.279
  427    HZ2  LYS   3           HZ2      LYS   3 -14.079 -11.922   7.109
  428    HZ3  LYS   3           HZ3      LYS   3 -14.507 -13.518   7.195
  429    H    DAL   4           HN       DAL   4 -12.286 -14.617  10.270
  430    HA   DAL   4           HA       DAL   4 -14.257 -14.939  12.001
  431    HB1  DAL   4           HB1      DAL   4 -15.710 -16.788  10.427
  432    HB2  DAL   4           HB2      DAL   4 -15.815 -16.353  12.135
  433    HB3  DAL   4           HB3      DAL   4 -14.374 -17.212  11.513
  434    H    DAL   5           HN       DAL   5 -13.434 -12.555  11.027
  435    HA   DAL   5           HA       DAL   5 -14.169  -9.888  10.995
  436    HB1  DAL   5           HB1      DAL   5 -16.169 -10.864  12.421
  437    HB2  DAL   5           HB2      DAL   5 -16.520 -11.835  11.020
  438    HB3  DAL   5           HB3      DAL   5 -16.948 -10.119  10.993
  439    H1   ALA   1           HN       ALA   1  14.874   1.033  -5.126
  440    HA   ALA   1           HA       ALA   1  17.288   2.413  -5.557
  441    HB1  ALA   1           HB1      ALA   1  18.219   0.883  -3.945
  442    HB2  ALA   1           HB2      ALA   1  18.892   0.597  -5.565
  443    HB3  ALA   1           HB3      ALA   1  17.631  -0.456  -4.921
  444    H    DGL   2           HN       DGL   2  18.125  -0.601  -6.766
  445    HA   DGL   2           HA       DGL   2  17.616  -1.867  -8.576
  446    HB2  DGL   2           HB1      DGL   2  16.962  -0.275 -10.710
  447    HB3  DGL   2           HB2      DGL   2  18.628  -0.257 -10.146
  448    HG2  DGL   2           HG1      DGL   2  18.530   1.953  -9.856
  449    HG3  DGL   2           HG2      DGL   2  17.213   1.852  -8.692
  450    H    LYS   3           HN       LYS   3  15.060   1.970  -9.558
  451    HA   LYS   3           HA       LYS   3  13.445   2.917 -10.657
  452    HB2  LYS   3           HB2      LYS   3  15.355   4.772 -10.509
  453    HB3  LYS   3           HB1      LYS   3  15.074   4.789 -12.262
  454    HG2  LYS   3           HG2      LYS   3  12.944   4.939 -10.123
  455    HG3  LYS   3           HG1      LYS   3  13.597   6.323 -10.975
  456    HD2  LYS   3           HD2      LYS   3  11.863   6.202 -12.386
  457    HD3  LYS   3           HD1      LYS   3  12.746   4.850 -13.006
  458    HE2  LYS   3           HE1      LYS   3  10.926   4.001 -10.963
  459    HE3  LYS   3           HE2      LYS   3  10.311   4.616 -12.699
  460    HZ1  LYS   3           HZ1      LYS   3  10.105   2.553 -13.318
  461    HZ2  LYS   3           HZ2      LYS   3  10.724   1.950 -11.828
  462    HZ3  LYS   3           HZ3      LYS   3  11.761   2.462 -13.065
  463    H    DAL   4           HN       DAL   4  14.902   0.736 -11.552
  464    HA   DAL   4           HA       DAL   4  14.983  -1.193 -13.390
  465    HB1  DAL   4           HB1      DAL   4  14.293   0.411 -15.616
  466    HB2  DAL   4           HB2      DAL   4  14.947  -1.225 -15.492
  467    HB3  DAL   4           HB3      DAL   4  15.946   0.181 -15.021
  468    H    DAL   5           HN       DAL   5  13.424  -0.630 -11.021
  469    HA   DAL   5           HA       DAL   5  11.374  -1.728  -9.534
  470    HB1  DAL   5           HB1      DAL   5  12.038  -3.752 -11.113
  471    HB2  DAL   5           HB2      DAL   5  11.538  -2.718 -12.419
  472    HB3  DAL   5           HB3      DAL   5  10.296  -3.477 -11.414
  473    H1   ALA   1           HN       ALA   1 -12.662   5.339  -9.598
  474    HA   ALA   1           HA       ALA   1 -14.194   5.186 -11.945
  475    HB1  ALA   1           HB1      ALA   1 -15.329   7.134 -11.183
  476    HB2  ALA   1           HB2      ALA   1 -14.318   7.537 -12.589
  477    HB3  ALA   1           HB3      ALA   1 -13.784   7.941 -10.956
  478    H    DGL   2           HN       DGL   2 -11.380   4.794 -10.666
  479    HA   DGL   2           HA       DGL   2  -9.700   6.512 -12.237
  480    HB2  DGL   2           HB1      DGL   2  -8.686   4.725 -13.655
  481    HB3  DGL   2           HB2      DGL   2 -10.426   4.648 -13.919
  482    HG2  DGL   2           HG1      DGL   2 -10.222   2.437 -13.621
  483    HG3  DGL   2           HG2      DGL   2 -10.067   2.706 -11.889
  484    H    LYS   3           HN       LYS   3  -7.917   2.737 -11.033
  485    HA   LYS   3           HA       LYS   3  -5.887   2.043 -10.695
  486    HB2  LYS   3           HB2      LYS   3  -7.192  -0.106 -12.180
  487    HB3  LYS   3           HB1      LYS   3  -5.428  -0.267 -12.064
  488    HG2  LYS   3           HG2      LYS   3  -7.510  -0.206  -9.944
  489    HG3  LYS   3           HG1      LYS   3  -6.100  -1.236 -10.088
  490    HD2  LYS   3           HD2      LYS   3  -6.177   1.553  -8.916
  491    HD3  LYS   3           HD1      LYS   3  -5.751   0.026  -8.224
  492    HE2  LYS   3           HE1      LYS   3  -3.718   0.931  -8.200
  493    HE3  LYS   3           HE2      LYS   3  -3.889  -0.080  -9.850
  494    HZ1  LYS   3           HZ1      LYS   3  -3.444   2.859  -9.765
  495    HZ2  LYS   3           HZ2      LYS   3  -3.591   1.767 -11.016
  496    HZ3  LYS   3           HZ3      LYS   3  -2.318   1.632  -9.968
  497    H    DAL   4           HN       DAL   4  -6.416   3.913 -12.565
  498    HA   DAL   4           HA       DAL   4  -5.342   5.593 -14.348
  499    HB1  DAL   4           HB1      DAL   4  -4.995   4.021 -15.959
  500    HB2  DAL   4           HB2      DAL   4  -3.351   3.828 -15.343
  501    HB3  DAL   4           HB3      DAL   4  -3.918   5.426 -15.908
  502    H    DAL   5           HN       DAL   5  -5.657   5.384 -11.434
  503    HA   DAL   5           HA       DAL   5  -5.095   6.876  -9.222
  504    HB1  DAL   5           HB1      DAL   5  -3.238   8.580 -10.153
  505    HB2  DAL   5           HB2      DAL   5  -4.689   8.444 -11.104
  506    HB3  DAL   5           HB3      DAL   5  -3.204   7.687 -11.702
  507    H1   ALA   1           HN       ALA   1  16.042  10.649   6.814
  508    HA   ALA   1           HA       ALA   1  17.420  12.791   7.994
  509    HB1  ALA   1           HB1      ALA   1  15.269  13.562   8.723
  510    HB2  ALA   1           HB2      ALA   1  16.252  13.032  10.107
  511    HB3  ALA   1           HB3      ALA   1  14.980  11.992   9.462
  512    H    DGL   2           HN       DGL   2  18.500  12.106  10.123
  513    HA   DGL   2           HA       DGL   2  19.171  10.606  11.714
  514    HB2  DGL   2           HB1      DGL   2  20.052   8.347  10.602
  515    HB3  DGL   2           HB2      DGL   2  20.905   9.822  10.150
  516    HG2  DGL   2           HG1      DGL   2  20.388   9.605   7.981
  517    HG3  DGL   2           HG2      DGL   2  18.693   9.211   8.236
  518    H    LYS   3           HN       LYS   3  18.762   6.857   9.482
  519    HA   LYS   3           HA       LYS   3  18.758   4.713   9.115
  520    HB2  LYS   3           HB2      LYS   3  18.461   5.693   6.705
  521    HB3  LYS   3           HB1      LYS   3  19.979   4.823   6.402
  522    HG2  LYS   3           HG2      LYS   3  17.417   3.730   7.568
  523    HG3  LYS   3           HG1      LYS   3  18.074   3.381   5.981
  524    HD2  LYS   3           HD2      LYS   3  20.013   2.180   7.019
  525    HD3  LYS   3           HD1      LYS   3  19.218   2.465   8.529
  526    HE2  LYS   3           HE1      LYS   3  17.876   0.758   6.553
  527    HE3  LYS   3           HE2      LYS   3  19.033   0.258   8.030
  528    HZ1  LYS   3           HZ1      LYS   3  16.125   0.897   8.228
  529    HZ2  LYS   3           HZ2      LYS   3  17.241   0.707   9.527
  530    HZ3  LYS   3           HZ3      LYS   3  16.970  -0.542   8.416
  531    H    DAL   4           HN       DAL   4  19.701   4.112  10.605
  532    HA   DAL   4           HA       DAL   4  21.834   3.453  12.268
  533    HB1  DAL   4           HB1      DAL   4  23.672   2.926  10.182
  534    HB2  DAL   4           HB2      DAL   4  23.838   2.866  11.939
  535    HB3  DAL   4           HB3      DAL   4  23.584   4.431  11.113
  536    H    DAL   5           HN       DAL   5  19.691   2.499  12.820
  537    HA   DAL   5           HA       DAL   5  18.209   0.351  13.723
  538    HB1  DAL   5           HB1      DAL   5  20.627  -0.690  13.833
  539    HB2  DAL   5           HB2      DAL   5  20.702  -0.375  12.125
  540    HB3  DAL   5           HB3      DAL   5  19.749  -1.751  12.693
  541    H12  P1W 103           H12      TPL  10 -10.736  -8.801   3.857
  542    H11  P1W 103           H11      TPL  10  -9.944  -7.860   2.603
  543    H2   P1W 103           H2       TPL  10 -12.798  -7.245   2.564
  544    H43  P1W 103           H42      TPL  10 -13.873 -10.006   0.395
  545    H42  P1W 103           H41      TPL  10 -14.366  -8.472   1.122
  546    H51  P1W 103           H51      TPL  10 -10.595 -10.223   1.940
  547    H52  P1W 103           H52      TPL  10 -11.181 -10.387   0.288
  548    H53  P1W 103           H53      TPL  10 -12.056 -11.163   1.611
  549    H12  P1W 104           H12      TPL  11 -12.397  -7.643  -0.594
  550    H11  P1W 104           H11      TPL  11 -13.072  -9.002  -1.494
  551    H2   P1W 104           H2       TPL  11 -15.367  -7.960  -1.217
  552    H43  P1W 104           H42      TPL  11 -15.358  -4.478  -2.158
  553    H42  P1W 104           H41      TPL  11 -16.391  -5.890  -1.910
  554    H51  P1W 104           H51      TPL  11 -12.414  -5.389  -1.292
  555    H52  P1W 104           H52      TPL  11 -12.941  -5.533   0.384
  556    H53  P1W 104           H53      TPL  11 -13.498  -4.181  -0.601
  557    H12  P1W 105           H12      TPL  11   5.170  -6.143  -7.863
  558    H11  P1W 105           H11      TPL  11   4.375  -4.577  -8.035
  559    H2   P1W 105           H2       TPL  11   5.679  -6.254 -10.176
  560    H43  P1W 105           H42      TPL  11   3.724  -4.143 -12.611
  561    H42  P1W 105           H41      TPL  11   5.341  -4.852 -12.519
  562    H51  P1W 105           H51      TPL  11   2.841  -3.201 -10.976
  563    H52  P1W 105           H52      TPL  11   3.877  -2.881  -9.585
  564    H53  P1W 105           H53      TPL  11   2.623  -4.117  -9.484
  565    H12  P1W 106           H12      TPL  12 -16.657  -5.338   0.428
  566    H11  P1W 106           H11      TPL  12 -15.508  -4.012   0.283
  567    H2   P1W 106           H2       TPL  12 -17.201  -3.069  -1.505
  568    H43  P1W 106           H43      TPL  12 -19.606  -1.626   0.280
  569    H41  P1W 106           H41      TPL  12 -20.596  -2.977  -0.285
  570    H42  P1W 106           H42      TPL  12 -19.453  -2.200  -1.381
  571    H51  P1W 106           H51      TPL  12 -19.340  -5.190   1.096
  572    H52  P1W 106           H52      TPL  12 -19.519  -3.670   1.967
  573    H53  P1W 106           H53      TPL  12 -17.947  -4.474   1.916
  574    H12  P1W 107           H12      TPL  12   4.012  -6.539 -13.470
  575    H11  P1W 107           H11      TPL  12   4.175  -7.000 -11.778
  576    H2   P1W 107           H2       TPL  12   1.785  -5.334 -12.543
  577    H43  P1W 107           H43      TPL  12  -0.385  -6.497 -12.240
  578    H41  P1W 107           H41      TPL  12  -0.233  -6.916 -10.529
  579    H42  P1W 107           H42      TPL  12  -0.374  -8.189 -11.742
  580    H51  P1W 107           H51      TPL  12   1.448  -9.181 -10.762
  581    H52  P1W 107           H52      TPL  12   2.759  -8.167 -10.164
  582    H53  P1W 107           H53      TPL  12   2.902  -8.949 -11.741
  583    H12  P1W 103           H12      TPL  10   7.851  -3.239  -3.988
  584    H11  P1W 103           H11      TPL  10   6.190  -3.803  -3.799
  585    H2   P1W 103           H2       TPL  10   7.969  -5.160  -5.821
  586    H43  P1W 103           H42      TPL  10   6.685  -3.709  -8.622
  587    H42  P1W 103           H41      TPL  10   7.307  -5.207  -7.993
  588    H51  P1W 103           H51      TPL  10   5.650  -1.987  -7.030
  589    H52  P1W 103           H52      TPL  10   5.666  -2.318  -5.302
  590    H53  P1W 103           H53      TPL  10   4.436  -3.065  -6.325
  591    H12  P1W 103           H12      TPL  10 -11.747   3.217   0.097
  592    H11  P1W 103           H11      TPL  10 -10.317   3.136   1.132
  593    H2   P1W 103           H2       TPL  10  -9.586   3.832  -1.623
  594    H43  P1W 103           H42      TPL  10  -9.375   1.948  -3.473
  595    H42  P1W 103           H41      TPL  10  -7.993   1.786  -2.392
  596    H51  P1W 103           H51      TPL  10 -11.083   0.006  -1.601
  597    H52  P1W 103           H52      TPL  10 -11.455   0.988  -0.186
  598    H53  P1W 103           H53      TPL  10 -10.002  -0.016  -0.202
  599    H12  P1W 103           H12      TPL  10   8.110   7.076   4.504
  600    H11  P1W 103           H11      TPL  10   7.739   5.675   3.494
  601    H2   P1W 103           H2       TPL  10   9.852   6.771   2.071
  602    H43  P1W 103           H42      TPL  10   8.245   9.708   0.383
  603    H42  P1W 103           H41      TPL  10   9.845   9.086   0.797
  604    H51  P1W 103           H51      TPL  10   6.840   9.180   3.055
  605    H52  P1W 103           H52      TPL  10   6.227   7.644   2.450
  606    H53  P1W 103           H53      TPL  10   6.346   9.033   1.365
  607    H12  P1W 104           H12      TPL  11  -8.893  -0.575  -1.913
  608    H11  P1W 104           H11      TPL  11  -9.873  -0.358  -3.359
  609    H2   P1W 104           H2       TPL  11  -6.903   0.180  -3.539
  610    H43  P1W 104           H42      TPL  11  -5.769  -1.167  -5.202
  611    H42  P1W 104           H41      TPL  11  -5.936  -2.854  -4.706
  612    H51  P1W 104           H51      TPL  11  -9.052  -2.794  -3.146
  613    H52  P1W 104           H52      TPL  11  -8.207  -3.713  -4.390
  614    H53  P1W 104           H53      TPL  11  -9.497  -2.601  -4.841
  615    H12  P1W 105           H12      TPL  11   9.219   6.945  -0.379
  616    H11  P1W 105           H11      TPL  11   7.747   7.734  -0.946
  617    H2   P1W 105           H2       TPL  11  10.426   7.960  -2.035
  618    H43  P1W 105           H42      TPL  11  10.579   9.314  -4.048
  619    H42  P1W 105           H41      TPL  11   9.141  10.200  -4.577
  620    H51  P1W 105           H51      TPL  11   7.274  10.025  -1.502
  621    H52  P1W 105           H52      TPL  11   6.903   9.097  -2.949
  622    H53  P1W 105           H53      TPL  11   7.419  10.775  -3.090
  623    H12  P1W 106           H12      TPL  12  -7.939  -2.224  -6.655
  624    H11  P1W 106           H11      TPL  12  -6.353  -1.756  -7.262
  625    H2   P1W 106           H2       TPL  12  -6.053  -4.336  -6.049
  626    H43  P1W 106           H43      TPL  12  -7.312  -6.531  -8.115
  627    H41  P1W 106           H41      TPL  12  -5.656  -6.213  -7.584
  628    H42  P1W 106           H42      TPL  12  -6.091  -6.027  -9.282
  629    H51  P1W 106           H51      TPL  12  -8.361  -4.246  -9.480
  630    H52  P1W 106           H52      TPL  12  -6.761  -3.786 -10.059
  631    H53  P1W 106           H53      TPL  12  -7.655  -2.699  -8.993
  632    H12  P1W 107           H12      TPL  12   9.665  12.051  -3.159
  633    H11  P1W 107           H11      TPL  12  10.923  11.137  -2.331
  634    H2   P1W 107           H2       TPL  12  11.034  12.033  -5.246
  635    H43  P1W 107           H43      TPL  12  13.313  12.321  -6.087
  636    H41  P1W 107           H41      TPL  12  14.642  11.703  -5.099
  637    H42  P1W 107           H42      TPL  12  14.072  13.359  -4.883
  638    H51  P1W 107           H51      TPL  12  14.455  11.546  -2.796
  639    H52  P1W 107           H52      TPL  12  13.088  10.488  -2.453
  640    H53  P1W 107           H53      TPL  12  13.046  12.175  -1.933
  641    H1   MUB 101           H1       NAM   6  -7.827  -8.024   8.829
  642    H2   MUB 101           H2       NAM   6  -5.631  -8.204   8.034
  643    HN2  MUB 101           HN2      NAM   6  -5.346  -7.507   5.923
  644    H81  MUB 101           H81      NAM   6  -4.544  -8.634   3.605
  645    H82  MUB 101           H82      NAM   6  -6.064  -7.823   3.248
  646    H83  MUB 101           H83      NAM   6  -5.901  -9.534   2.876
  647    H3   MUB 101           H3       NAM   6  -6.619 -10.625   6.439
  648    H9   MUB 101           H9       NAM   6  -5.670  -9.849   9.313
  649   H111  MUB 101          H111      NAM   6  -3.320  -8.926   7.938
  650   H112  MUB 101          H112      NAM   6  -3.006  -9.065   9.634
  651   H113  MUB 101          H113      NAM   6  -4.331  -8.047   9.172
  652    H4A  MUB 101           H4       NAM   6  -7.422 -10.441   9.429
  653    H5   MUB 101           H5       NAM   6  -9.510 -10.619   7.275
  654    H61  MUB 101           H61      NAM   6  -9.905 -10.735   9.637
  655    H62  MUB 101           H62      NAM   6 -11.037  -9.619   8.734
  656    HO6  MUB 101           HO6      NAM   6  -9.842  -7.932   9.792
  657    H1   NAG 102           H1       NAG   7  -6.449 -12.460   7.044
  658    H2   NAG 102           H2       NAG   7  -8.265 -14.640   8.124
  659    H3   NAG 102           H3       NAG   7  -6.170 -14.882   6.102
  660    H4   NAG 102           H4       NAG   7  -9.094 -15.119   5.488
  661    H5   NAG 102           H5       NAG   7  -7.128 -12.711   4.738
  662    H61  NAG 102           H61      NAG   7 -10.055 -13.028   4.131
  663    H62  NAG 102           H62      NAG   7  -8.662 -12.940   3.048
  664    H81  NAG 102           H81      NAG   7  -4.422 -14.041  10.476
  665    H82  NAG 102           H82      NAG   7  -3.326 -14.937   9.434
  666    H83  NAG 102           H83      NAG   7  -4.665 -15.788  10.196
  667    HN2  NAG 102           HN2      NAG   7  -6.892 -14.672   9.652
  668    HO3  NAG 102           HO3      NAG   7  -6.818 -16.716   7.377
  669    HO4  NAG 102           HO4      NAG   7  -7.472 -16.168   4.274
  670    HO6  NAG 102           HO6      NAG   7  -8.388 -10.843   4.448
  671    H1   MUB 101           H1       NAM   6  13.738  -2.725  -3.351
  672    H2   MUB 101           H2       NAM   6  13.459  -0.889  -1.872
  673    HN2  MUB 101           HN2      NAM   6  11.562  -0.828  -0.782
  674    H81  MUB 101           H81      NAM   6   8.840  -0.948  -0.855
  675    H82  MUB 101           H82      NAM   6   8.242   0.228  -2.019
  676    H83  MUB 101           H83      NAM   6   9.324   0.765  -0.738
  677    H3   MUB 101           H3       NAM   6  11.607   0.363  -3.975
  678    H9   MUB 101           H9       NAM   6  14.476   0.273  -2.884
  679   H111  MUB 101          H111      NAM   6  13.659   2.072  -0.657
  680   H112  MUB 101          H112      NAM   6  15.303   1.532  -0.675
  681   H113  MUB 101          H113      NAM   6  14.084   0.299  -0.638
  682    H4A  MUB 101           H4       NAM   6  14.496  -0.520  -4.750
  683    H5   MUB 101           H5       NAM   6  12.200  -1.723  -6.251
  684    H61  MUB 101           H61      NAM   6  14.110  -2.363  -7.020
  685    H62  MUB 101           H62      NAM   6  13.434  -3.832  -6.129
  686    HO6  MUB 101           HO6      NAM   6  15.723  -2.301  -5.701
  687    H1   NAG 102           H1       NAG   7  11.935   1.615  -5.493
  688    H2   NAG 102           H2       NAG   7  13.043   1.754  -8.349
  689    H3   NAG 102           H3       NAG   7  10.911   3.291  -7.147
  690    H4   NAG 102           H4       NAG   7  10.458   1.207  -9.248
  691    H5   NAG 102           H5       NAG   7   9.665   1.007  -6.152
  692    H61  NAG 102           H61      NAG   7   9.429  -1.088  -8.285
  693    H62  NAG 102           H62      NAG   7   8.137  -0.129  -7.562
  694    H81  NAG 102           H81      NAG   7  14.741   5.415  -6.772
  695    H82  NAG 102           H82      NAG   7  15.449   4.252  -5.660
  696    H83  NAG 102           H83      NAG   7  14.281   5.419  -5.047
  697    HN2  NAG 102           HN2      NAG   7  14.488   2.886  -7.569
  698    HO3  NAG 102           HO3      NAG   7  12.034   4.169  -8.918
  699    HO4  NAG 102           HO4      NAG   7   9.039   2.863  -9.147
  700    HO6  NAG 102           HO6      NAG   7   9.813  -1.223  -5.708
  701    H1   MUB 101           H1       NAM   6 -10.928   6.369  -5.658
  702    H2   MUB 101           H2       NAM   6 -13.073   5.764  -5.431
  703    HN2  MUB 101           HN2      NAM   6 -13.343   4.439  -3.578
  704    H81  MUB 101           H81      NAM   6 -14.235   1.896  -3.109
  705    H82  MUB 101           H82      NAM   6 -12.685   2.076  -2.292
  706    H83  MUB 101           H83      NAM   6 -12.898   0.762  -3.440
  707    H3   MUB 101           H3       NAM   6 -12.247   2.971  -6.556
  708    H9   MUB 101           H9       NAM   6 -13.397   5.563  -7.858
  709   H111  MUB 101          H111      NAM   6 -15.288   5.545  -5.675
  710   H112  MUB 101          H112      NAM   6 -15.768   6.655  -6.915
  711   H113  MUB 101          H113      NAM   6 -14.193   6.891  -6.231
  712    H4A  MUB 101           H4       NAM   6 -11.826   5.423  -8.372
  713    H5   MUB 101           H5       NAM   6  -9.420   3.913  -7.587
  714    H61  MUB 101           H61      NAM   6  -9.349   5.899  -8.761
  715    H62  MUB 101           H62      NAM   6  -8.247   5.979  -7.341
  716    HO6  MUB 101           HO6      NAM   6  -9.627   7.841  -7.283
  717    H1   NAG 102           H1       NAG   7 -12.617   2.112  -8.357
  718    H2   NAG 102           H2       NAG   7 -10.514   1.700 -10.517
  719    H3   NAG 102           H3       NAG   7 -12.431  -0.235  -9.434
  720    H4   NAG 102           H4       NAG   7  -9.471  -0.357  -8.989
  721    H5   NAG 102           H5       NAG   7 -11.715   0.422  -6.844
  722    H61  NAG 102           H61      NAG   7  -9.622  -0.755  -5.977
  723    H62  NAG 102           H62      NAG   7 -10.186   0.774  -5.285
  724    H81  NAG 102           H81      NAG   7 -15.498   2.232 -11.715
  725    H82  NAG 102           H82      NAG   7 -14.356   1.588 -12.887
  726    H83  NAG 102           H83      NAG   7 -14.174   3.253 -12.342
  727    HN2  NAG 102           HN2      NAG   7 -11.926   2.404 -11.818
  728    HO3  NAG 102           HO3      NAG   7 -11.241  -1.588 -10.769
  729    HO4  NAG 102           HO4      NAG   7 -10.460  -2.250  -8.904
  730    HO6  NAG 102           HO6      NAG   7  -8.630   1.672  -6.943
  731    H1   MUB 101           H1       NAM   6  12.432   8.961   7.023
  732    H2   MUB 101           H2       NAM   6  12.440  10.333   5.185
  733    HN2  MUB 101           HN2      NAM   6  11.581   9.335   3.310
  734    H81  MUB 101           H81      NAM   6  13.285   6.897   1.103
  735    H82  MUB 101           H82      NAM   6  12.495   8.458   0.904
  736    H83  MUB 101           H83      NAM   6  11.607   7.142   1.660
  737    H3   MUB 101           H3       NAM   6  14.824   8.662   4.168
  738    H9   MUB 101           H9       NAM   6  13.999  11.104   5.886
  739   H111  MUB 101          H111      NAM   6  13.245  12.454   3.399
  740   H112  MUB 101          H112      NAM   6  13.152  13.456   4.807
  741   H113  MUB 101          H113      NAM   6  12.216  11.998   4.830
  742    H4A  MUB 101           H4       NAM   6  14.889   9.784   7.065
  743    H5   MUB 101           H5       NAM   6  15.167   6.839   6.518
  744    H61  MUB 101           H61      NAM   6  15.522   7.418   8.576
  745    H62  MUB 101           H62      NAM   6  13.959   6.556   8.707
  746    HO6  MUB 101           HO6      NAM   6  14.696   9.133   9.374
  747    H1   NAG 102           H1       NAG   7  16.733   9.093   4.379
  748    H2   NAG 102           H2       NAG   7  19.034   8.541   6.293
  749    H3   NAG 102           H3       NAG   7  19.212   8.672   3.379
  750    H4   NAG 102           H4       NAG   7  19.497   6.121   4.932
  751    H5   NAG 102           H5       NAG   7  17.030   7.036   3.106
  752    H61  NAG 102           H61      NAG   7  17.192   4.678   4.869
  753    H62  NAG 102           H62      NAG   7  17.590   4.633   3.097
  754    H81  NAG 102           H81      NAG   7  19.978  12.643   4.975
  755    H82  NAG 102           H82      NAG   7  18.381  12.897   5.667
  756    H83  NAG 102           H83      NAG   7  18.604  13.108   3.933
  757    HN2  NAG 102           HN2      NAG   7  19.185  10.571   6.407
  758    HO3  NAG 102           HO3      NAG   7  20.957   7.836   5.466
  759    HO4  NAG 102           HO4      NAG   7  20.497   6.460   2.902
  760    HO6  NAG 102           HO6      NAG   7  15.259   5.943   3.737
  Start of MODEL    4
    1    H    ZAE   1           HN1      DPH   1   6.501 -16.995  -4.452
    2    HA   ZAE   1           HA       DPH   1   6.959 -14.844  -5.453
    3    HB2  ZAE   1           HB1      DPH   1   8.944 -14.598  -3.386
    4    HB3  ZAE   1           HB2      DPH   1   8.645 -16.300  -3.717
    5    HD1  ZAE   1           HD1      DPH   1   7.985 -15.972  -6.684
    6    HD2  ZAE   1           HD2      DPH   1  11.116 -14.412  -4.253
    7    HE1  ZAE   1           HE1      DPH   1   9.450 -15.830  -8.662
    8    HE2  ZAE   1           HE2      DPH   1  12.578 -14.280  -6.221
    9    HZ   ZAE   1           HZ       DPH   1  11.750 -14.979  -8.428
   10    H11  ZAE   1          HN11      DPH   1   5.964 -15.493  -1.976
   11    H12  ZAE   1          HN12      DPH   1   7.326 -16.582  -2.240
   12    H13  ZAE   1          HN13      DPH   1   5.680 -17.216  -2.241
   13    HN2  ZAE   1           HN2      DPH   1   5.217 -15.914  -4.232
   14    H    ILE   2           HN       ILE   2   5.242 -13.358  -5.008
   15    HA   ILE   2           HA       ILE   2   6.103 -11.207  -3.273
   16    HB   ILE   2           HB       ILE   2   5.346 -10.369  -5.327
   17   HG12  ILE   2          HG12      ILE   2   3.034 -10.218  -3.396
   18   HG13  ILE   2          HG11      ILE   2   4.322  -9.044  -3.627
   19   HG21  ILE   2          HG21      ILE   2   3.188 -11.066  -6.389
   20   HG22  ILE   2          HG22      ILE   2   3.057 -12.319  -5.153
   21   HG23  ILE   2          HG23      ILE   2   4.409 -12.335  -6.284
   22   HD11  ILE   2          HD11      ILE   2   2.217  -9.706  -5.658
   23   HD12  ILE   2          HD12      ILE   2   3.460  -8.461  -5.783
   24   HD13  ILE   2          HD13      ILE   2   2.190  -8.319  -4.567
   25    H    SER   3           HN       SER   3   5.081 -10.537  -1.448
   26    HA   SER   3           HA       SER   3   2.646 -11.955  -0.639
   27    HB2  SER   3           HB2      SER   3   4.783 -11.260   1.371
   28    HB3  SER   3           HB1      SER   3   3.344 -12.243   1.618
   29    HG   SER   3           HG       SER   3   4.790 -13.338  -0.339
   30    H    DAR   4           HN       DAR   4   1.421 -10.879   1.015
   31    HA   DAR   4           HA       DAR   4   1.556  -7.955   0.706
   32    HB2  DAR   4           HB1      DAR   4   0.555  -9.541   3.061
   33    HB3  DAR   4           HB2      DAR   4   0.587  -7.784   2.932
   34    HG2  DAR   4           HG1      DAR   4   3.148  -9.042   2.415
   35    HG3  DAR   4           HG2      DAR   4   2.525  -9.329   4.044
   36    HD2  DAR   4           HD1      DAR   4   3.755  -7.334   4.177
   37    HD3  DAR   4           HD2      DAR   4   2.060  -6.840   4.129
   38    HE   DAR   4           HE       DAR   4   3.273  -6.974   1.553
   39   HH11  DAR   4          HH21      DAR   4   3.560  -3.502   1.304
   40   HH12  DAR   4          HH22      DAR   4   3.634  -5.061   0.421
   41   HH21  DAR   4          HH11      DAR   4   3.060  -3.489   3.582
   42   HH22  DAR   4          HH12      DAR   4   2.680  -5.034   4.408
   43    HA   28J   5           HA       28J   5  -2.668  -8.578   0.014
   44    H22  28J   5           HB       28J   5  -3.114  -7.520  -2.445
   45    H23  28J   5          HG21      28J   5  -1.190  -8.036  -3.859
   46    H24  28J   5          HG22      28J   5  -0.235  -8.441  -2.431
   47    H25  28J   5          HG23      28J   5  -0.793  -6.786  -2.682
   48    H26  28J   5          HG11      28J   5  -1.939 -10.235  -1.775
   49    H27  28J   5          HG12      28J   5  -2.680  -9.828  -3.319
   50    H28  28J   5          HD11      28J   5  -4.799  -9.387  -2.183
   51    H29  28J   5          HD12      28J   5  -4.058  -9.838  -0.647
   52    H30  28J   5          HD13      28J   5  -4.234 -11.038  -1.928
   53    H    ILE   6           HN       ILE   6  -4.538  -7.341  -0.253
   54    HA   ILE   6           HA       ILE   6  -4.225  -4.445   0.154
   55    HB   ILE   6           HB       ILE   6  -6.295  -4.129  -0.894
   56   HG12  ILE   6          HG12      ILE   6  -6.772  -7.124  -0.908
   57   HG13  ILE   6          HG11      ILE   6  -7.483  -6.001   0.247
   58   HG21  ILE   6          HG21      ILE   6  -4.501  -4.572  -2.474
   59   HG22  ILE   6          HG22      ILE   6  -6.039  -5.153  -3.098
   60   HG23  ILE   6          HG23      ILE   6  -4.872  -6.296  -2.439
   61   HD11  ILE   6          HD11      ILE   6  -9.008  -6.612  -1.536
   62   HD12  ILE   6          HD12      ILE   6  -7.884  -5.936  -2.715
   63   HD13  ILE   6          HD13      ILE   6  -8.650  -4.883  -1.521
   64    H    SER   7           HN       SER   7  -5.279  -3.401   1.892
   65    HA   SER   7           HA       SER   7  -7.085  -4.904   3.637
   66    HB2  SER   7           HB2      SER   7  -4.644  -5.220   4.450
   67    HB3  SER   7           HB1      SER   7  -4.750  -3.525   4.943
   68    HG   SER   7           HG       SER   7  -6.248  -5.738   5.836
   69    H    DTH   8           HN       DTC   8  -7.171  -3.283   5.772
   70    HA   DTH   8           HA       DTC   8  -7.467  -0.501   4.846
   71    HB   DTH   8           HB       DTC   8  -7.777   0.199   7.138
   72   HG21  DTH   8          HG21      DTC   8  -5.458  -0.392   6.533
   73   HG22  DTH   8          HG22      DTC   8  -5.722  -2.040   7.109
   74   HG23  DTH   8          HG23      DTC   8  -5.790  -0.687   8.238
   75    H    ALA   9           HN       ALA   9  -9.190  -3.308   4.866
   76    HA   ALA   9           HA       ALA   9 -11.662  -2.240   4.181
   77    HB1  ALA   9           HB1      ALA   9 -11.187  -4.955   5.415
   78    HB2  ALA   9           HB2      ALA   9 -10.855  -4.580   3.725
   79    HB3  ALA   9           HB3      ALA   9 -12.504  -4.481   4.341
   80    H    LEU  10           HN       LEU  10 -11.031  -4.084   7.228
   81    HA   LEU  10           HA       LEU  10 -13.104  -2.450   8.549
   82    HB2  LEU  10           HB2      LEU  10 -11.612  -4.549  10.045
   83    HB3  LEU  10           HB1      LEU  10 -13.281  -4.047  10.182
   84    HG   LEU  10           HG       LEU  10 -13.334  -6.196   9.386
   85   HD11  LEU  10          HD11      LEU  10 -14.860  -4.677   8.339
   86   HD12  LEU  10          HD12      LEU  10 -14.392  -5.955   7.224
   87   HD13  LEU  10          HD13      LEU  10 -13.706  -4.338   7.048
   88   HD21  LEU  10          HD21      LEU  10 -12.110  -6.493   7.022
   89   HD22  LEU  10          HD22      LEU  10 -11.411  -6.936   8.576
   90   HD23  LEU  10          HD23      LEU  10 -10.983  -5.395   7.832
   91    H    ILE  11           HN       ILE  11  -9.801  -3.466   8.934
   92    HA   ILE  11           HA       ILE  11  -9.463  -1.294  10.928
   93    HB   ILE  11           HB       ILE  11  -7.513  -3.544  10.374
   94   HG12  ILE  11          HG12      ILE  11  -9.527  -3.291  12.632
   95   HG13  ILE  11          HG11      ILE  11  -9.663  -4.416  11.285
   96   HG21  ILE  11          HG21      ILE  11  -7.727  -1.576  12.649
   97   HG22  ILE  11          HG22      ILE  11  -6.542  -1.520  11.344
   98   HG23  ILE  11          HG23      ILE  11  -6.523  -2.856  12.496
   99   HD11  ILE  11          HD11      ILE  11  -7.536  -5.465  12.035
  100   HD12  ILE  11          HD12      ILE  11  -8.855  -5.593  13.198
  101   HD13  ILE  11          HD13      ILE  11  -7.572  -4.410  13.448
  102    H    ZAE   1           HN1      DPH   1  -8.922   5.457   2.765
  103    HA   ZAE   1           HA       DPH   1 -10.036   3.567   1.929
  104    HB2  ZAE   1           HB1      DPH   1  -9.574   2.581   4.687
  105    HB3  ZAE   1           HB2      DPH   1 -10.023   4.283   4.553
  106    HD1  ZAE   1           HD1      DPH   1 -12.226   4.932   4.072
  107    HD2  ZAE   1           HD2      DPH   1 -11.081   0.838   3.650
  108    HE1  ZAE   1           HE1      DPH   1 -14.579   4.295   3.717
  109    HE2  ZAE   1           HE2      DPH   1 -13.447   0.210   3.307
  110    HZ   ZAE   1           HZ       DPH   1 -15.192   1.944   3.340
  111    H11  ZAE   1          HN11      DPH   1  -6.843   3.669   3.812
  112    H12  ZAE   1          HN12      DPH   1  -8.059   4.492   4.791
  113    H13  ZAE   1          HN13      DPH   1  -6.867   5.431   3.892
  114    HN2  ZAE   1           HN2      DPH   1  -7.814   4.582   1.826
  115    H    ILE   2           HN       ILE   2  -7.718   2.717   0.649
  116    HA   ILE   2           HA       ILE   2  -7.557  -0.062   1.634
  117    HB   ILE   2           HB       ILE   2  -8.394   0.096  -0.678
  118   HG12  ILE   2          HG12      ILE   2  -6.494  -1.323  -1.702
  119   HG13  ILE   2          HG11      ILE   2  -5.725  -1.143  -0.136
  120   HG21  ILE   2          HG21      ILE   2  -5.901   1.680  -1.075
  121   HG22  ILE   2          HG22      ILE   2  -7.536   1.964  -1.686
  122   HG23  ILE   2          HG23      ILE   2  -6.526   0.698  -2.392
  123   HD11  ILE   2          HD11      ILE   2  -6.811  -2.965   0.454
  124   HD12  ILE   2          HD12      ILE   2  -7.844  -2.892  -0.975
  125   HD13  ILE   2          HD13      ILE   2  -8.274  -1.978   0.471
  126    H    SER   3           HN       SER   3  -5.835  -0.666   2.608
  127    HA   SER   3           HA       SER   3  -3.243   0.552   1.921
  128    HB2  SER   3           HB2      SER   3  -3.997  -0.680   4.569
  129    HB3  SER   3           HB1      SER   3  -2.466   0.103   4.163
  130    HG   SER   3           HG       SER   3  -4.778   1.209   5.027
  131    H    DAR   4           HN       DAR   4  -1.435  -0.773   2.531
  132    HA   DAR   4           HA       DAR   4  -1.895  -3.617   1.916
  133    HB2  DAR   4           HB1      DAR   4   0.259  -2.483   3.720
  134    HB3  DAR   4           HB2      DAR   4   0.027  -4.176   3.322
  135    HG2  DAR   4           HG1      DAR   4  -2.340  -3.004   4.537
  136    HG3  DAR   4           HG2      DAR   4  -0.907  -2.876   5.555
  137    HD2  DAR   4           HD1      DAR   4  -2.042  -4.922   6.073
  138    HD3  DAR   4           HD2      DAR   4  -0.519  -5.296   5.270
  139    HE   DAR   4           HE       DAR   4  -2.753  -5.175   3.470
  140   HH11  DAR   4          HH21      DAR   4  -2.847  -8.691   3.126
  141   HH12  DAR   4          HH22      DAR   4  -3.443  -7.126   2.463
  142   HH21  DAR   4          HH11      DAR   4  -1.416  -8.718   4.921
  143   HH22  DAR   4          HH12      DAR   4  -0.882  -7.172   5.672
  144    HA   28J   5           HA       28J   5   1.688  -2.691  -0.378
  145    H22  28J   5           HB       28J   5   0.723  -3.062  -2.896
  146    H23  28J   5          HG21      28J   5  -1.604  -2.288  -2.858
  147    H24  28J   5          HG22      28J   5  -1.611  -2.398  -1.098
  148    H25  28J   5          HG23      28J   5  -1.426  -3.856  -2.075
  149    H26  28J   5          HG11      28J   5   0.358  -0.736  -0.994
  150    H27  28J   5          HG12      28J   5   0.107  -0.632  -2.732
  151    H28  28J   5          HD11      28J   5   2.442  -1.230  -3.107
  152    H29  28J   5          HD12      28J   5   2.697  -1.293  -1.362
  153    H30  28J   5          HD13      28J   5   2.272   0.234  -2.139
  154    H    ILE   6           HN       ILE   6   3.290  -3.607  -1.471
  155    HA   ILE   6           HA       ILE   6   3.053  -6.497  -1.796
  156    HB   ILE   6           HB       ILE   6   2.657  -6.250  -3.951
  157   HG12  ILE   6          HG12      ILE   6   5.591  -5.617  -3.941
  158   HG13  ILE   6          HG11      ILE   6   4.826  -7.196  -4.105
  159   HG21  ILE   6          HG21      ILE   6   3.082  -4.298  -5.378
  160   HG22  ILE   6          HG22      ILE   6   3.839  -3.474  -4.015
  161   HG23  ILE   6          HG23      ILE   6   2.133  -3.912  -3.945
  162   HD11  ILE   6          HD11      ILE   6   5.648  -6.474  -6.232
  163   HD12  ILE   6          HD12      ILE   6   4.781  -4.945  -6.097
  164   HD13  ILE   6          HD13      ILE   6   3.890  -6.450  -6.271
  165    H    SER   7           HN       SER   7   4.798  -7.711  -1.481
  166    HA   SER   7           HA       SER   7   7.442  -6.614  -1.494
  167    HB2  SER   7           HB2      SER   7   7.801  -7.332   0.958
  168    HB3  SER   7           HB1      SER   7   7.063  -5.764   0.627
  169    HG   SER   7           HG       SER   7   5.505  -8.070   0.996
  170    H    DTH   8           HN       DTC   8   8.924  -8.292  -0.225
  171    HA   DTH   8           HA       DTC   8   8.113 -11.043  -0.915
  172    HB   DTH   8           HB       DTC   8   9.947 -11.853   0.535
  173   HG21  DTH   8          HG21      DTC   8   9.079 -10.992   2.684
  174   HG22  DTH   8          HG22      DTC   8   7.750 -11.293   1.561
  175   HG23  DTH   8          HG23      DTC   8   8.312  -9.646   1.842
  176    H    ALA   9           HN       ALA   9   9.952  -8.431  -1.963
  177    HA   ALA   9           HA       ALA   9  11.416  -9.933  -3.995
  178    HB1  ALA   9           HB1      ALA   9  10.463  -7.919  -4.873
  179    HB2  ALA   9           HB2      ALA   9  12.181  -7.584  -4.656
  180    HB3  ALA   9           HB3      ALA   9  11.011  -6.980  -3.487
  181    H    LEU  10           HN       LEU  10  11.936  -7.467  -1.611
  182    HA   LEU  10           HA       LEU  10  14.808  -7.994  -1.533
  183    HB2  LEU  10           HB2      LEU  10  13.101  -6.060   0.048
  184    HB3  LEU  10           HB1      LEU  10  14.838  -6.214   0.221
  185    HG   LEU  10           HG       LEU  10  15.174  -5.456  -2.063
  186   HD11  LEU  10          HD11      LEU  10  12.598  -6.329  -2.455
  187   HD12  LEU  10          HD12      LEU  10  13.610  -5.465  -3.611
  188   HD13  LEU  10          HD13      LEU  10  12.481  -4.575  -2.590
  189   HD21  LEU  10          HD21      LEU  10  13.234  -3.449  -1.064
  190   HD22  LEU  10          HD22      LEU  10  14.887  -3.246  -1.645
  191   HD23  LEU  10          HD23      LEU  10  14.595  -3.860  -0.018
  192    H    ILE  11           HN       ILE  11  12.079  -8.012   0.715
  193    HA   ILE  11           HA       ILE  11  13.619 -10.045   2.249
  194    HB   ILE  11           HB       ILE  11  11.644  -8.150   3.541
  195   HG12  ILE  11          HG12      ILE  11  14.673  -7.979   3.591
  196   HG13  ILE  11          HG11      ILE  11  13.631  -6.893   2.678
  197   HG21  ILE  11          HG21      ILE  11  13.740 -10.005   4.662
  198   HG22  ILE  11          HG22      ILE  11  11.997 -10.275   4.679
  199   HG23  ILE  11          HG23      ILE  11  12.693  -8.946   5.608
  200   HD11  ILE  11          HD11      ILE  11  12.605  -6.166   4.812
  201   HD12  ILE  11          HD12      ILE  11  14.331  -5.821   4.710
  202   HD13  ILE  11          HD13      ILE  11  13.761  -7.184   5.673
  203    H    ZAE   1           HN1      DPH   1   7.573  -6.009   3.011
  204    HA   ZAE   1           HA       DPH   1   8.405  -4.401   1.440
  205    HB2  ZAE   1           HB1      DPH   1   8.683  -2.924   3.994
  206    HB3  ZAE   1           HB2      DPH   1   9.080  -4.635   4.062
  207    HD1  ZAE   1           HD1      DPH   1  10.849  -5.519   2.530
  208    HD2  ZAE   1           HD2      DPH   1  10.201  -1.348   3.046
  209    HE1  ZAE   1           HE1      DPH   1  13.120  -5.075   1.710
  210    HE2  ZAE   1           HE2      DPH   1  12.475  -0.889   2.189
  211    HZ   ZAE   1           HZ       DPH   1  13.941  -2.763   1.533
  212    H11  ZAE   1          HN11      DPH   1   5.906  -3.786   3.994
  213    H12  ZAE   1          HN12      DPH   1   7.172  -4.638   4.876
  214    H13  ZAE   1          HN13      DPH   1   5.681  -5.477   4.449
  215    HN2  ZAE   1           HN2      DPH   1   6.294  -5.347   2.115
  216    H    ILE   2           HN       ILE   2   6.816  -3.225   0.111
  217    HA   ILE   2           HA       ILE   2   6.470  -0.519   1.146
  218    HB   ILE   2           HB       ILE   2   7.264  -0.734  -1.147
  219   HG12  ILE   2          HG12      ILE   2   4.499   0.442  -0.853
  220   HG13  ILE   2          HG11      ILE   2   6.032   1.270  -0.612
  221   HG21  ILE   2          HG21      ILE   2   5.892  -1.649  -2.924
  222   HG22  ILE   2          HG22      ILE   2   4.593  -1.986  -1.779
  223   HG23  ILE   2          HG23      ILE   2   6.118  -2.858  -1.661
  224   HD11  ILE   2          HD11      ILE   2   6.500   1.207  -2.940
  225   HD12  ILE   2          HD12      ILE   2   4.863   1.823  -2.709
  226   HD13  ILE   2          HD13      ILE   2   5.112   0.159  -3.240
  227    H    SER   3           HN       SER   3   4.870   0.054   2.245
  228    HA   SER   3           HA       SER   3   2.234  -1.072   1.644
  229    HB2  SER   3           HB2      SER   3   2.932   0.059   4.327
  230    HB3  SER   3           HB1      SER   3   1.581  -0.989   3.888
  231    HG   SER   3           HG       SER   3   4.333  -1.709   3.990
  232    H    DAR   4           HN       DAR   4   0.515   0.288   2.581
  233    HA   DAR   4           HA       DAR   4   0.897   3.058   1.654
  234    HB2  DAR   4           HB1      DAR   4  -0.939   2.118   3.866
  235    HB3  DAR   4           HB2      DAR   4  -0.744   3.773   3.313
  236    HG2  DAR   4           HG1      DAR   4   1.803   2.722   4.075
  237    HG3  DAR   4           HG2      DAR   4   0.629   2.467   5.371
  238    HD2  DAR   4           HD1      DAR   4   1.454   4.573   5.829
  239    HD3  DAR   4           HD2      DAR   4  -0.036   4.912   4.951
  240    HE   DAR   4           HE       DAR   4   2.251   4.774   3.246
  241   HH11  DAR   4          HH21      DAR   4   2.393   8.264   2.877
  242   HH12  DAR   4          HH22      DAR   4   2.951   6.681   2.226
  243   HH21  DAR   4          HH11      DAR   4   0.936   8.329   4.666
  244   HH22  DAR   4          HH12      DAR   4   0.356   6.792   5.399
  245    HA   28J   5           HA       28J   5  -3.057   2.205  -0.094
  246    H22  28J   5           HB       28J   5  -2.521   2.439  -2.718
  247    H23  28J   5          HG21      28J   5  -0.258   3.278  -2.355
  248    H24  28J   5          HG22      28J   5  -0.236   1.714  -3.170
  249    H25  28J   5          HG23      28J   5   0.140   1.818  -1.450
  250    H26  28J   5          HG11      28J   5  -2.325   0.291  -0.716
  251    H27  28J   5          HG12      28J   5  -1.468  -0.041  -2.217
  252    H28  28J   5          HD11      28J   5  -3.818  -0.876  -2.122
  253    H29  28J   5          HD12      28J   5  -3.455   0.171  -3.494
  254    H30  28J   5          HD13      28J   5  -4.348   0.806  -2.111
  255    H    ILE   6           HN       ILE   6  -4.757   3.295  -0.984
  256    HA   ILE   6           HA       ILE   6  -4.268   6.122  -1.623
  257    HB   ILE   6           HB       ILE   6  -4.326   5.632  -3.822
  258   HG12  ILE   6          HG12      ILE   6  -6.414   6.931  -3.437
  259   HG13  ILE   6          HG11      ILE   6  -6.445   5.975  -4.907
  260   HG21  ILE   6          HG21      ILE   6  -5.533   3.752  -4.933
  261   HG22  ILE   6          HG22      ILE   6  -5.980   3.157  -3.336
  262   HG23  ILE   6          HG23      ILE   6  -4.279   3.253  -3.797
  263   HD11  ILE   6          HD11      ILE   6  -7.784   4.293  -3.619
  264   HD12  ILE   6          HD12      ILE   6  -8.570   5.846  -3.916
  265   HD13  ILE   6          HD13      ILE   6  -7.874   5.493  -2.332
  266    H    SER   7           HN       SER   7  -5.914   7.567  -1.188
  267    HA   SER   7           HA       SER   7  -8.553   6.631  -0.434
  268    HB2  SER   7           HB2      SER   7  -6.994   6.248   1.551
  269    HB3  SER   7           HB1      SER   7  -6.959   8.008   1.689
  270    HG   SER   7           HG       SER   7  -8.974   7.997   2.356
  271    H    DTH   8           HN       DTC   8  -9.924   8.302   0.293
  272    HA   DTH   8           HA       DTC   8  -9.109  11.009  -0.567
  273    HB   DTH   8           HB       DTC   8 -10.512  11.998   1.183
  274   HG21  DTH   8          HG21      DTC   8  -8.226  11.395   1.847
  275   HG22  DTH   8          HG22      DTC   8  -8.781   9.807   2.377
  276   HG23  DTH   8          HG23      DTC   8  -9.343  11.262   3.202
  277    H    ALA   9           HN       ALA   9 -11.225   8.432  -1.197
  278    HA   ALA   9           HA       ALA   9 -12.995   9.898  -2.584
  279    HB1  ALA   9           HB1      ALA   9 -13.466   7.856  -3.478
  280    HB2  ALA   9           HB2      ALA   9 -13.545   7.069  -1.915
  281    HB3  ALA   9           HB3      ALA   9 -11.975   7.393  -2.650
  282    H    LEU  10           HN       LEU  10 -13.882   7.472  -0.257
  283    HA   LEU  10           HA       LEU  10 -16.242   8.619   0.670
  284    HB2  LEU  10           HB2      LEU  10 -14.394   6.594   1.910
  285    HB3  LEU  10           HB1      LEU  10 -15.946   7.006   2.596
  286    HG   LEU  10           HG       LEU  10 -17.022   5.613   1.241
  287   HD11  LEU  10          HD11      LEU  10 -16.699   5.637  -1.196
  288   HD12  LEU  10          HD12      LEU  10 -15.359   6.763  -0.978
  289   HD13  LEU  10          HD13      LEU  10 -16.993   7.232  -0.507
  290   HD21  LEU  10          HD21      LEU  10 -14.337   4.687   1.322
  291   HD22  LEU  10          HD22      LEU  10 -14.976   4.360  -0.279
  292   HD23  LEU  10          HD23      LEU  10 -15.817   3.757   1.128
  293    H    ILE  11           HN       ILE  11 -13.066   8.695   1.922
  294    HA   ILE  11           HA       ILE  11 -13.817  10.768   3.893
  295    HB   ILE  11           HB       ILE  11 -11.733   8.724   4.679
  296   HG12  ILE  11          HG12      ILE  11 -14.646   8.570   5.499
  297   HG13  ILE  11          HG11      ILE  11 -13.920   7.527   4.282
  298   HG21  ILE  11          HG21      ILE  11 -13.475  10.605   6.272
  299   HG22  ILE  11          HG22      ILE  11 -11.768  10.833   5.891
  300   HG23  ILE  11          HG23      ILE  11 -12.267   9.508   6.941
  301   HD11  ILE  11          HD11      ILE  11 -13.092   7.676   7.180
  302   HD12  ILE  11          HD12      ILE  11 -12.414   6.599   5.960
  303   HD13  ILE  11          HD13      ILE  11 -14.097   6.421   6.456
  304    H    ZAE   1           HN1      DPH   1  -7.514  16.425  -3.930
  305    HA   ZAE   1           HA       DPH   1  -7.847  14.361  -5.114
  306    HB2  ZAE   1           HB1      DPH   1  -9.734  13.942  -2.881
  307    HB3  ZAE   1           HB2      DPH   1  -9.683  15.584  -3.512
  308    HD1  ZAE   1           HD1      DPH   1  -9.948  15.863  -6.069
  309    HD2  ZAE   1           HD2      DPH   1 -11.016  12.311  -3.956
  310    HE1  ZAE   1           HE1      DPH   1 -11.429  15.204  -7.928
  311    HE2  ZAE   1           HE2      DPH   1 -12.496  11.646  -5.813
  312    HZ   ZAE   1           HZ       DPH   1 -12.706  13.094  -7.801
  313    H11  ZAE   1          HN11      DPH   1  -6.954  14.755  -1.568
  314    H12  ZAE   1          HN12      DPH   1  -8.350  15.815  -1.776
  315    H13  ZAE   1          HN13      DPH   1  -6.727  16.502  -1.688
  316    HN2  ZAE   1           HN2      DPH   1  -6.173  15.406  -3.766
  317    H    ILE   2           HN       ILE   2  -5.911  13.048  -4.699
  318    HA   ILE   2           HA       ILE   2  -6.660  10.641  -3.258
  319    HB   ILE   2           HB       ILE   2  -5.730  10.502  -5.573
  320   HG12  ILE   2          HG12      ILE   2  -3.918   9.188  -3.551
  321   HG13  ILE   2          HG11      ILE   2  -5.535   8.617  -3.935
  322   HG21  ILE   2          HG21      ILE   2  -3.350  10.872  -5.962
  323   HG22  ILE   2          HG22      ILE   2  -3.166  11.433  -4.299
  324   HG23  ILE   2          HG23      ILE   2  -4.154  12.350  -5.433
  325   HD11  ILE   2          HD11      ILE   2  -3.229   8.792  -5.856
  326   HD12  ILE   2          HD12      ILE   2  -4.849   8.188  -6.210
  327   HD13  ILE   2          HD13      ILE   2  -3.822   7.332  -5.060
  328    H    SER   3           HN       SER   3  -5.508   9.739  -1.568
  329    HA   SER   3           HA       SER   3  -3.200  11.198  -0.554
  330    HB2  SER   3           HB2      SER   3  -5.487  10.480   1.282
  331    HB3  SER   3           HB1      SER   3  -3.991  11.296   1.730
  332    HG   SER   3           HG       SER   3  -5.221  12.653  -0.246
  333    H    DAR   4           HN       DAR   4  -2.033  10.073   1.098
  334    HA   DAR   4           HA       DAR   4  -2.158   7.151   0.766
  335    HB2  DAR   4           HB1      DAR   4  -1.125   8.612   3.200
  336    HB3  DAR   4           HB2      DAR   4  -1.404   6.885   3.019
  337    HG2  DAR   4           HG1      DAR   4  -3.804   8.435   2.545
  338    HG3  DAR   4           HG2      DAR   4  -3.125   8.684   4.162
  339    HD2  DAR   4           HD1      DAR   4  -4.452   6.812   4.466
  340    HD3  DAR   4           HD2      DAR   4  -2.863   6.126   4.168
  341    HE   DAR   4           HE       DAR   4  -4.449   6.359   1.806
  342   HH11  DAR   4          HH21      DAR   4  -4.621   2.843   1.630
  343   HH12  DAR   4          HH22      DAR   4  -4.782   4.384   0.709
  344   HH21  DAR   4          HH11      DAR   4  -3.814   2.906   3.829
  345   HH22  DAR   4          HH12      DAR   4  -3.643   4.504   4.643
  346    HA   28J   5           HA       28J   5   2.126   7.780   0.324
  347    H22  28J   5           HB       28J   5   2.804   7.272  -2.140
  348    H23  28J   5          HG21      28J   5   0.935   7.385  -3.727
  349    H24  28J   5          HG22      28J   5  -0.210   7.328  -2.388
  350    H25  28J   5          HG23      28J   5   0.834   5.945  -2.715
  351    H26  28J   5          HG11      28J   5   0.819   9.465  -1.471
  352    H27  28J   5          HG12      28J   5   1.870   9.449  -2.882
  353    H28  28J   5          HD11      28J   5   2.691   9.673  -0.001
  354    H29  28J   5          HD12      28J   5   2.853  10.883  -1.274
  355    H30  28J   5          HD13      28J   5   3.823   9.411  -1.328
  356    H    ILE   6           HN       ILE   6   4.057   6.552  -0.017
  357    HA   ILE   6           HA       ILE   6   3.722   3.619   0.177
  358    HB   ILE   6           HB       ILE   6   5.041   3.497  -1.613
  359   HG12  ILE   6          HG12      ILE   6   7.182   4.921   0.004
  360   HG13  ILE   6          HG11      ILE   6   6.839   3.199   0.081
  361   HG21  ILE   6          HG21      ILE   6   5.989   5.457  -2.764
  362   HG22  ILE   6          HG22      ILE   6   5.637   6.458  -1.356
  363   HG23  ILE   6          HG23      ILE   6   4.315   5.741  -2.277
  364   HD11  ILE   6          HD11      ILE   6   7.762   4.647  -2.373
  365   HD12  ILE   6          HD12      ILE   6   7.580   2.904  -2.158
  366   HD13  ILE   6          HD13      ILE   6   8.809   3.784  -1.245
  367    H    SER   7           HN       SER   7   4.640   2.549   1.919
  368    HA   SER   7           HA       SER   7   6.914   3.644   3.381
  369    HB2  SER   7           HB2      SER   7   4.486   3.008   5.041
  370    HB3  SER   7           HB1      SER   7   5.910   3.958   5.474
  371    HG   SER   7           HG       SER   7   5.020   5.365   3.626
  372    H    DTH   8           HN       DTC   8   6.633   2.115   5.710
  373    HA   DTH   8           HA       DTC   8   6.149  -0.696   4.898
  374    HB   DTH   8           HB       DTC   8   6.401  -1.289   7.285
  375   HG21  DTH   8          HG21      DTC   8   4.235  -0.314   6.592
  376   HG22  DTH   8          HG22      DTC   8   4.814   1.294   7.034
  377   HG23  DTH   8          HG23      DTC   8   4.623   0.051   8.271
  378    H    ALA   9           HN       ALA   9   8.673   1.529   5.140
  379    HA   ALA   9           HA       ALA   9  10.828  -0.180   4.812
  380    HB1  ALA   9           HB1      ALA   9  11.793   2.283   4.822
  381    HB2  ALA   9           HB2      ALA   9  10.133   2.794   4.773
  382    HB3  ALA   9           HB3      ALA   9  10.761   1.796   3.483
  383    H    LEU  10           HN       LEU  10  10.838   2.691   6.704
  384    HA   LEU  10           HA       LEU  10  12.260   1.911   8.905
  385    HB2  LEU  10           HB2      LEU  10  10.382   4.082   8.190
  386    HB3  LEU  10           HB1      LEU  10  10.738   3.907   9.896
  387    HG   LEU  10           HG       LEU  10  12.889   4.655   9.671
  388   HD11  LEU  10          HD11      LEU  10  13.998   3.212   8.395
  389   HD12  LEU  10          HD12      LEU  10  13.906   4.532   7.228
  390   HD13  LEU  10          HD13      LEU  10  12.762   3.193   7.137
  391   HD21  LEU  10          HD21      LEU  10  13.074   6.394   7.805
  392   HD22  LEU  10          HD22      LEU  10  11.754   6.599   8.956
  393   HD23  LEU  10          HD23      LEU  10  11.433   5.929   7.360
  394    H    ILE  11           HN       ILE  11   8.842   2.051   8.527
  395    HA   ILE  11           HA       ILE  11   8.426   0.315  10.891
  396    HB   ILE  11           HB       ILE  11   6.376   2.480  10.464
  397   HG12  ILE  11          HG12      ILE  11   8.550   2.915  12.493
  398   HG13  ILE  11          HG11      ILE  11   8.795   3.460  10.838
  399   HG21  ILE  11          HG21      ILE  11   7.284   0.940  12.899
  400   HG22  ILE  11          HG22      ILE  11   5.842   0.617  11.936
  401   HG23  ILE  11          HG23      ILE  11   5.969   2.115  12.857
  402   HD11  ILE  11          HD11      ILE  11   6.506   4.297  12.620
  403   HD12  ILE  11          HD12      ILE  11   6.841   4.896  10.996
  404   HD13  ILE  11          HD13      ILE  11   7.961   5.242  12.312
  405    H1   ALA   1           HN       ALA   1 -11.643 -12.840  10.310
  406    HA   ALA   1           HA       ALA   1 -12.884 -13.317  12.789
  407    HB1  ALA   1           HB1      ALA   1 -12.044 -11.103  13.433
  408    HB2  ALA   1           HB2      ALA   1 -13.823 -11.149  13.402
  409    HB3  ALA   1           HB3      ALA   1 -12.925 -10.379  12.084
  410    H    DGL   2           HN       DGL   2 -15.211 -13.462  12.579
  411    HA   DGL   2           HA       DGL   2 -17.165 -13.319  11.377
  412    HB2  DGL   2           HB1      DGL   2 -15.726 -15.052  10.177
  413    HB3  DGL   2           HB2      DGL   2 -15.686 -13.831   8.930
  414    HG2  DGL   2           HG1      DGL   2 -18.482 -14.195   9.579
  415    HG3  DGL   2           HG2      DGL   2 -17.890 -15.859   9.472
  416    H    LYS   3           HN       LYS   3 -17.089 -12.906   7.587
  417    HA   LYS   3           HA       LYS   3 -17.201 -12.363   5.509
  418    HB2  LYS   3           HB2      LYS   3 -15.588 -14.345   5.613
  419    HB3  LYS   3           HB1      LYS   3 -16.774 -15.137   4.559
  420    HG2  LYS   3           HG2      LYS   3 -15.696 -12.351   4.041
  421    HG3  LYS   3           HG1      LYS   3 -14.898 -13.793   3.431
  422    HD2  LYS   3           HD2      LYS   3 -16.566 -14.255   1.801
  423    HD3  LYS   3           HD1      LYS   3 -17.733 -13.417   2.766
  424    HE2  LYS   3           HE2      LYS   3 -16.198 -11.300   2.044
  425    HE3  LYS   3           HE1      LYS   3 -16.492 -12.477   0.538
  426    HZ1  LYS   3           HZ1      LYS   3 -17.907 -10.189   1.082
  427    HZ2  LYS   3           HZ2      LYS   3 -18.832 -11.464   1.547
  428    HZ3  LYS   3           HZ3      LYS   3 -18.153 -11.481   0.021
  429    H    DAL   4           HN       DAL   4 -19.094 -11.615   5.944
  430    HA   DAL   4           HA       DAL   4 -21.605 -11.080   5.596
  431    HB1  DAL   4           HB1      DAL   4 -22.024 -13.526   4.038
  432    HB2  DAL   4           HB2      DAL   4 -23.224 -12.286   4.394
  433    HB3  DAL   4           HB3      DAL   4 -22.546 -13.313   5.764
  434    H    DAL   5           HN       DAL   5 -20.617  -9.086   4.970
  435    HA   DAL   5           HA       DAL   5 -19.887  -6.990   3.396
  436    HB1  DAL   5           HB1      DAL   5 -22.034  -8.550   2.660
  437    HB2  DAL   5           HB2      DAL   5 -20.857  -9.095   1.471
  438    HB3  DAL   5           HB3      DAL   5 -21.385  -7.407   1.497
  439    H1   ALA   1           HN       ALA   1  13.583   0.063  -7.374
  440    HA   ALA   1           HA       ALA   1  15.298   2.232  -7.883
  441    HB1  ALA   1           HB1      ALA   1  14.974   2.742  -5.485
  442    HB2  ALA   1           HB2      ALA   1  16.673   2.415  -5.902
  443    HB3  ALA   1           HB3      ALA   1  15.701   1.184  -5.080
  444    H    DGL   2           HN       DGL   2  17.504   0.754  -6.136
  445    HA   DGL   2           HA       DGL   2  18.631  -1.204  -6.330
  446    HB2  DGL   2           HB1      DGL   2  18.905  -1.890  -8.901
  447    HB3  DGL   2           HB2      DGL   2  19.812  -0.628  -8.099
  448    HG2  DGL   2           HG1      DGL   2  19.033   0.936  -9.686
  449    HG3  DGL   2           HG2      DGL   2  17.345   0.644  -9.249
  450    H    LYS   3           HN       LYS   3  16.359  -1.300 -10.353
  451    HA   LYS   3           HA       LYS   3  15.604  -2.212 -12.154
  452    HB2  LYS   3           HB2      LYS   3  16.302   0.181 -12.973
  453    HB3  LYS   3           HB1      LYS   3  17.250  -0.785 -14.120
  454    HG2  LYS   3           HG2      LYS   3  14.417  -1.592 -13.559
  455    HG3  LYS   3           HG1      LYS   3  14.678  -0.154 -14.536
  456    HD2  LYS   3           HD2      LYS   3  14.625  -1.580 -16.337
  457    HD3  LYS   3           HD1      LYS   3  16.264  -1.811 -15.834
  458    HE2  LYS   3           HE1      LYS   3  15.389  -3.932 -16.460
  459    HE3  LYS   3           HE2      LYS   3  15.834  -3.725 -14.589
  460    HZ1  LYS   3           HZ1      LYS   3  14.050  -4.728 -13.956
  461    HZ2  LYS   3           HZ2      LYS   3  13.914  -5.378 -15.537
  462    HZ3  LYS   3           HZ3      LYS   3  13.151  -3.915 -15.137
  463    H    DAL   4           HN       DAL   4  17.290  -3.423 -10.684
  464    HA   DAL   4           HA       DAL   4  18.515  -5.608 -10.262
  465    HB1  DAL   4           HB1      DAL   4  19.963  -5.329 -12.785
  466    HB2  DAL   4           HB2      DAL   4  20.220  -6.550 -11.541
  467    HB3  DAL   4           HB3      DAL   4  20.609  -4.788 -11.178
  468    H    DAL   5           HN       DAL   5  15.898  -5.685 -10.125
  469    HA   DAL   5           HA       DAL   5  13.682  -6.900 -10.496
  470    HB1  DAL   5           HB1      DAL   5  15.894  -8.465 -11.750
  471    HB2  DAL   5           HB2      DAL   5  14.301  -9.165 -11.488
  472    HB3  DAL   5           HB3      DAL   5  15.377  -8.826 -10.109
  473    H1   ALA   1           HN       ALA   1 -12.129   0.023  -6.999
  474    HA   ALA   1           HA       ALA   1 -12.208  -2.627  -7.952
  475    HB1  ALA   1           HB1      ALA   1 -12.421  -3.960  -5.952
  476    HB2  ALA   1           HB2      ALA   1 -12.052  -2.553  -4.925
  477    HB3  ALA   1           HB3      ALA   1 -10.829  -3.201  -6.030
  478    H    DGL   2           HN       DGL   2 -14.240  -3.820  -6.430
  479    HA   DGL   2           HA       DGL   2 -16.276  -3.401  -5.585
  480    HB2  DGL   2           HB1      DGL   2 -17.829  -2.099  -7.148
  481    HB3  DGL   2           HB2      DGL   2 -16.985  -3.468  -7.828
  482    HG2  DGL   2           HG1      DGL   2 -15.932  -2.118  -9.469
  483    HG3  DGL   2           HG2      DGL   2 -15.448  -0.866  -8.317
  484    H    LYS   3           HN       LYS   3 -18.139  -0.218  -7.451
  485    HA   LYS   3           HA       LYS   3 -19.650   1.267  -7.848
  486    HB2  LYS   3           HB2      LYS   3 -17.691   1.853  -9.842
  487    HB3  LYS   3           HB1      LYS   3 -19.297   2.443 -10.308
  488    HG2  LYS   3           HG2      LYS   3 -17.789   2.989  -7.734
  489    HG3  LYS   3           HG1      LYS   3 -18.189   4.146  -8.994
  490    HD2  LYS   3           HD2      LYS   3 -20.229   4.661  -8.084
  491    HD3  LYS   3           HD1      LYS   3 -20.562   2.967  -7.969
  492    HE2  LYS   3           HE1      LYS   3 -18.987   4.176  -5.781
  493    HE3  LYS   3           HE2      LYS   3 -20.909   4.035  -5.934
  494    HZ1  LYS   3           HZ1      LYS   3 -19.543   1.552  -5.586
  495    HZ2  LYS   3           HZ2      LYS   3 -20.939   2.178  -4.984
  496    HZ3  LYS   3           HZ3      LYS   3 -19.489   2.662  -4.311
  497    H    DAL   4           HN       DAL   4 -21.530   1.243  -7.994
  498    HA   DAL   4           HA       DAL   4 -23.586  -0.616  -9.187
  499    HB1  DAL   4           HB1      DAL   4 -23.167   0.008 -11.361
  500    HB2  DAL   4           HB2      DAL   4 -23.589   1.690 -11.046
  501    HB3  DAL   4           HB3      DAL   4 -24.877   0.386 -10.884
  502    H    DAL   5           HN       DAL   5 -23.758  -0.682  -6.766
  503    HA   DAL   5           HA       DAL   5 -24.709  -0.092  -4.472
  504    HB1  DAL   5           HB1      DAL   5 -25.909   1.651  -6.576
  505    HB2  DAL   5           HB2      DAL   5 -26.527   1.710  -4.930
  506    HB3  DAL   5           HB3      DAL   5 -26.783   0.266  -5.943
  507    H1   ALA   1           HN       ALA   1  17.541   7.931   4.887
  508    HA   ALA   1           HA       ALA   1  19.850   7.819   6.499
  509    HB1  ALA   1           HB1      ALA   1  18.325   6.815   8.173
  510    HB2  ALA   1           HB2      ALA   1  19.656   5.732   7.702
  511    HB3  ALA   1           HB3      ALA   1  18.027   5.478   7.057
  512    H    DGL   2           HN       DGL   2  20.273   4.860   6.231
  513    HA   DGL   2           HA       DGL   2  20.420   3.342   4.580
  514    HB2  DGL   2           HB1      DGL   2  21.533   4.458   2.386
  515    HB3  DGL   2           HB2      DGL   2  22.433   4.076   3.835
  516    HG2  DGL   2           HG1      DGL   2  22.955   6.356   4.221
  517    HG3  DGL   2           HG2      DGL   2  21.303   6.919   3.943
  518    H    LYS   3           HN       LYS   3  21.179   5.863   1.209
  519    HA   LYS   3           HA       LYS   3  21.546   6.388  -0.846
  520    HB2  LYS   3           HB2      LYS   3  20.796   8.533   0.249
  521    HB3  LYS   3           HB1      LYS   3  22.432   9.125  -0.096
  522    HG2  LYS   3           HG2      LYS   3  21.456   7.723  -2.407
  523    HG3  LYS   3           HG1      LYS   3  20.194   8.825  -1.873
  524    HD2  LYS   3           HD2      LYS   3  21.348  10.149  -3.470
  525    HD3  LYS   3           HD1      LYS   3  21.904  10.632  -1.905
  526    HE2  LYS   3           HE1      LYS   3  23.677  10.593  -3.680
  527    HE3  LYS   3           HE2      LYS   3  23.917   9.762  -1.952
  528    HZ1  LYS   3           HZ1      LYS   3  25.032   8.879  -4.277
  529    HZ2  LYS   3           HZ2      LYS   3  23.673   7.863  -4.028
  530    HZ3  LYS   3           HZ3      LYS   3  24.782   8.143  -2.775
  531    H    DAL   4           HN       DAL   4  23.040   4.736  -0.353
  532    HA   DAL   4           HA       DAL   4  24.853   3.254  -1.318
  533    HB1  DAL   4           HB1      DAL   4  26.748   5.072  -0.032
  534    HB2  DAL   4           HB2      DAL   4  27.101   3.492  -0.726
  535    HB3  DAL   4           HB3      DAL   4  26.035   3.607   0.770
  536    H    DAL   5           HN       DAL   5  23.545   3.630  -3.385
  537    HA   DAL   5           HA       DAL   5  23.196   4.246  -5.839
  538    HB1  DAL   5           HB1      DAL   5  26.067   4.514  -5.066
  539    HB2  DAL   5           HB2      DAL   5  25.587   4.603  -6.757
  540    HB3  DAL   5           HB3      DAL   5  25.482   3.063  -5.866
  541    H12  P1W 103           H12      TPL  10 -10.761  -6.738   4.253
  542    H11  P1W 103           H11      TPL  10 -11.413  -8.152   5.079
  543    H2   P1W 103           H2       TPL  10  -9.042  -9.182   4.885
  544    H43  P1W 103           H42      TPL  10  -6.867  -8.651   2.578
  545    H42  P1W 103           H41      TPL  10  -7.798 -10.047   3.089
  546    H51  P1W 103           H51      TPL  10  -8.558  -6.901   1.387
  547    H52  P1W 103           H52      TPL  10  -9.136  -6.063   2.820
  548    H53  P1W 103           H53      TPL  10 -10.247  -7.043   1.874
  549    H12  P1W 104           H12      TPL  11  -8.267  -8.546   0.519
  550    H11  P1W 104           H11      TPL  11  -7.241  -9.978   0.625
  551    H2   P1W 104           H2       TPL  11 -10.228  -9.892   1.286
  552    H43  P1W 104           H42      TPL  11 -10.359 -13.330   0.135
  553    H42  P1W 104           H41      TPL  11 -11.307 -12.023   0.856
  554    H51  P1W 104           H51      TPL  11  -8.534 -12.737  -1.294
  555    H52  P1W 104           H52      TPL  11  -7.447 -12.385   0.050
  556    H53  P1W 104           H53      TPL  11  -7.739 -11.168  -1.195
  557    H12  P1W 105           H12      TPL  11   8.989  -7.940  -8.389
  558    H11  P1W 105           H11      TPL  11   9.862  -7.088  -7.119
  559    H2   P1W 105           H2       TPL  11   8.782  -9.555  -6.023
  560    H43  P1W 105           H42      TPL  11  10.166 -11.492  -5.808
  561    H42  P1W 105           H41      TPL  11  10.831 -12.015  -7.357
  562    H51  P1W 105           H51      TPL  11  11.828 -10.423  -8.777
  563    H52  P1W 105           H52      TPL  11  12.056  -8.797  -8.135
  564    H53  P1W 105           H53      TPL  11  10.691  -9.145  -9.196
  565    H12  P1W 106           H12      TPL  12 -11.641 -11.008  -1.326
  566    H11  P1W 106           H11      TPL  12 -10.605 -12.212  -2.086
  567    H2   P1W 106           H2       TPL  12 -12.205 -13.952  -1.739
  568    H43  P1W 106           H43      TPL  12 -14.707 -14.428  -1.402
  569    H41  P1W 106           H41      TPL  12 -15.084 -13.688  -2.962
  570    H42  P1W 106           H42      TPL  12 -15.813 -13.058  -1.485
  571    H51  P1W 106           H51      TPL  12 -15.133 -10.991  -2.265
  572    H52  P1W 106           H52      TPL  12 -13.450 -10.599  -2.598
  573    H53  P1W 106           H53      TPL  12 -14.051 -10.538  -0.941
  574    H12  P1W 107           H12      TPL  12  12.964 -11.659  -6.702
  575    H11  P1W 107           H11      TPL  12  12.567 -10.179  -5.833
  576    H2   P1W 107           H2       TPL  12  11.434 -11.913  -4.120
  577    H43  P1W 107           H43      TPL  12  12.479 -13.176  -2.366
  578    H41  P1W 107           H41      TPL  12  14.227 -12.948  -2.245
  579    H42  P1W 107           H42      TPL  12  13.577 -14.383  -3.035
  580    H51  P1W 107           H51      TPL  12  14.570 -12.876  -6.000
  581    H52  P1W 107           H52      TPL  12  15.355 -13.441  -4.528
  582    H53  P1W 107           H53      TPL  12  15.282 -11.712  -4.875
  583    H12  P1W 103           H12      TPL  10   8.475  -4.032  -3.494
  584    H11  P1W 103           H11      TPL  10   7.455  -5.368  -2.973
  585    H2   P1W 103           H2       TPL  10   8.235  -4.814  -5.701
  586    H43  P1W 103           H42      TPL  10   7.034  -8.130  -6.787
  587    H42  P1W 103           H41      TPL  10   7.412  -6.499  -7.322
  588    H51  P1W 103           H51      TPL  10   6.779  -7.541  -3.604
  589    H52  P1W 103           H52      TPL  10   8.418  -8.179  -3.723
  590    H53  P1W 103           H53      TPL  10   7.149  -8.797  -4.788
  591    H12  P1W 103           H12      TPL  10 -12.651   3.960  -2.190
  592    H11  P1W 103           H11      TPL  10 -12.998   5.590  -2.769
  593    H2   P1W 103           H2       TPL  10 -15.373   5.186  -2.610
  594    H43  P1W 103           H42      TPL  10 -17.093   3.592  -3.125
  595    H42  P1W 103           H41      TPL  10 -16.554   1.922  -3.270
  596    H51  P1W 103           H51      TPL  10 -13.516   2.196  -1.322
  597    H52  P1W 103           H52      TPL  10 -14.954   1.176  -1.384
  598    H53  P1W 103           H53      TPL  10 -14.827   2.445  -0.162
  599    H12  P1W 103           H12      TPL  10   7.189   7.249   5.350
  600    H11  P1W 103           H11      TPL  10   6.096   6.590   4.125
  601    H2   P1W 103           H2       TPL  10   8.390   6.148   2.756
  602    H43  P1W 103           H42      TPL  10   9.793   9.470   2.105
  603    H42  P1W 103           H41      TPL  10   9.990   7.745   1.805
  604    H51  P1W 103           H51      TPL  10   7.739  10.308   2.879
  605    H52  P1W 103           H52      TPL  10   7.788   9.633   4.507
  606    H53  P1W 103           H53      TPL  10   6.445   9.240   3.428
  607    H12  P1W 104           H12      TPL  11 -17.352   3.029  -0.596
  608    H11  P1W 104           H11      TPL  11 -18.580   2.505  -1.739
  609    H2   P1W 104           H2       TPL  11 -17.251   0.222  -1.803
  610    H43  P1W 104           H42      TPL  11 -17.704  -1.180   1.358
  611    H42  P1W 104           H41      TPL  11 -16.917  -1.544  -0.177
  612    H51  P1W 104           H51      TPL  11 -17.157   1.029   2.346
  613    H52  P1W 104           H52      TPL  11 -17.519   2.382   1.275
  614    H53  P1W 104           H53      TPL  11 -15.854   1.834   1.475
  615    H12  P1W 105           H12      TPL  11   9.258   8.295  -0.270
  616    H11  P1W 105           H11      TPL  11   7.668   8.182   0.479
  617    H2   P1W 105           H2       TPL  11   9.147  10.840   0.410
  618    H43  P1W 105           H42      TPL  11   8.044  12.596  -0.746
  619    H42  P1W 105           H41      TPL  11   6.877  12.150  -1.996
  620    H51  P1W 105           H51      TPL  11   6.859   8.875  -1.807
  621    H52  P1W 105           H52      TPL  11   5.743  10.226  -2.009
  622    H53  P1W 105           H53      TPL  11   5.678   9.232  -0.551
  623    H12  P1W 106           H12      TPL  12 -14.861  -0.384   1.097
  624    H11  P1W 106           H11      TPL  12 -15.722  -1.018   2.496
  625    H2   P1W 106           H2       TPL  12 -15.534  -3.292   1.665
  626    H43  P1W 106           H43      TPL  12 -13.770  -4.839   0.936
  627    H41  P1W 106           H41      TPL  12 -12.370  -4.192   0.072
  628    H42  P1W 106           H42      TPL  12 -13.851  -4.574  -0.806
  629    H51  P1W 106           H51      TPL  12 -12.343  -2.158  -0.888
  630    H52  P1W 106           H52      TPL  12 -12.831  -0.966   0.314
  631    H53  P1W 106           H53      TPL  12 -13.817  -1.212  -1.129
  632    H12  P1W 107           H12      TPL  12   5.616  13.516  -0.576
  633    H11  P1W 107           H11      TPL  12   5.206  11.897  -0.020
  634    H2   P1W 107           H2       TPL  12   7.450  13.423   1.324
  635    H43  P1W 107           H43      TPL  12   5.549  13.133   4.524
  636    H41  P1W 107           H41      TPL  12   6.910  13.975   3.770
  637    H42  P1W 107           H42      TPL  12   7.037  12.261   4.160
  638    H51  P1W 107           H51      TPL  12   4.093  11.969   3.466
  639    H52  P1W 107           H52      TPL  12   4.633  10.927   2.153
  640    H53  P1W 107           H53      TPL  12   3.783  12.429   1.788
  641    H1   MUB 101           H1       NAM   6  -9.735  -8.791   9.736
  642    H2   MUB 101           H2       NAM   6  -7.982 -10.388   9.875
  643    HN2  MUB 101           HN2      NAM   6  -6.447 -10.336   8.238
  644    H81  MUB 101           H81      NAM   6  -5.598 -12.003   6.483
  645    H82  MUB 101           H82      NAM   6  -5.983 -10.498   5.659
  646    H83  MUB 101           H83      NAM   6  -6.682 -11.997   5.059
  647    H3   MUB 101           H3       NAM   6  -9.509 -11.971   7.713
  648    H9   MUB 101           H9       NAM   6  -9.381 -11.345  10.706
  649   H111  MUB 101          H111      NAM   6  -7.087 -13.327  11.298
  650   H112  MUB 101          H112      NAM   6  -7.735 -12.269  12.523
  651   H113  MUB 101          H113      NAM   6  -7.143 -11.515  11.094
  652    H4A  MUB 101           H4       NAM   6 -11.062 -10.845  10.060
  653    H5   MUB 101           H5       NAM   6 -11.704 -10.111   7.172
  654    H61  MUB 101           H61      NAM   6 -13.248  -9.502   8.859
  655    H62  MUB 101           H62      NAM   6 -12.619  -8.039   7.997
  656    HO6  MUB 101           HO6      NAM   6 -11.442  -7.653   9.979
  657    H1   NAG 102           H1       NAG   7 -10.776 -13.306   7.848
  658    H2   NAG 102           H2       NAG   7 -13.943 -13.724   8.066
  659    H3   NAG 102           H3       NAG   7 -11.843 -15.483   6.659
  660    H4   NAG 102           H4       NAG   7 -13.926 -13.836   5.250
  661    H5   NAG 102           H5       NAG   7 -10.783 -13.251   5.409
  662    H61  NAG 102           H61      NAG   7 -12.844 -11.408   4.250
  663    H62  NAG 102           H62      NAG   7 -11.977 -12.613   3.328
  664    H81  NAG 102           H81      NAG   7 -12.512 -16.923  10.759
  665    H82  NAG 102           H82      NAG   7 -11.835 -15.520  11.578
  666    H83  NAG 102           H83      NAG   7 -10.742 -16.712  10.881
  667    HN2  NAG 102           HN2      NAG   7 -13.511 -14.630   9.773
  668    HO3  NAG 102           HO3      NAG   7 -13.818 -16.275   7.523
  669    HO4  NAG 102           HO4      NAG   7 -13.017 -15.714   4.366
  670    HO6  NAG 102           HO6      NAG   7 -10.355 -11.206   5.006
  671    H1   MUB 101           H1       NAM   6  11.883  -1.521  -3.180
  672    H2   MUB 101           H2       NAM   6  10.688  -0.068  -4.325
  673    HN2  MUB 101           HN2      NAM   6   8.473  -0.586  -4.526
  674    H81  MUB 101           H81      NAM   6   6.796  -1.183  -6.445
  675    H82  MUB 101           H82      NAM   6   6.725  -2.369  -5.150
  676    H83  MUB 101           H83      NAM   6   6.972  -2.929  -6.798
  677    H3   MUB 101           H3       NAM   6  10.879  -2.013  -6.778
  678    H9   MUB 101           H9       NAM   6  11.869   0.654  -5.579
  679   H111  MUB 101          H111      NAM   6   9.315   2.072  -6.469
  680   H112  MUB 101          H112      NAM   6  10.550   2.981  -5.642
  681   H113  MUB 101          H113      NAM   6   9.964   1.577  -4.838
  682    H4A  MUB 101           H4       NAM   6  13.338  -0.564  -5.671
  683    H5   MUB 101           H5       NAM   6  13.369  -3.539  -5.681
  684    H61  MUB 101           H61      NAM   6  14.385  -3.542  -3.725
  685    H62  MUB 101           H62      NAM   6  13.650  -2.032  -3.087
  686    HO6  MUB 101           HO6      NAM   6  15.522  -2.315  -5.362
  687    H1   NAG 102           H1       NAG   7  11.800  -1.828  -8.288
  688    H2   NAG 102           H2       NAG   7  14.616  -2.470  -9.576
  689    H3   NAG 102           H3       NAG   7  11.794  -2.611 -10.856
  690    H4   NAG 102           H4       NAG   7  13.489  -5.011 -10.233
  691    H5   NAG 102           H5       NAG   7  10.863  -4.021  -8.697
  692    H61  NAG 102           H61      NAG   7  12.579  -6.436  -8.196
  693    H62  NAG 102           H62      NAG   7  10.905  -6.349  -8.682
  694    H81  NAG 102           H81      NAG   7  11.806   1.800 -10.800
  695    H82  NAG 102           H82      NAG   7  13.374   1.399 -11.487
  696    H83  NAG 102           H83      NAG   7  13.280   1.872  -9.793
  697    HN2  NAG 102           HN2      NAG   7  14.531  -0.461  -9.942
  698    HO3  NAG 102           HO3      NAG   7  13.516  -3.987 -12.096
  699    HO4  NAG 102           HO4      NAG   7  12.109  -5.326 -11.794
  700    HO6  NAG 102           HO6      NAG   7  11.515  -4.851  -6.468
  701    H1   MUB 101           H1       NAM   6 -10.816   1.958  -3.241
  702    H2   MUB 101           H2       NAM   6  -9.225   2.001  -4.727
  703    HN2  MUB 101           HN2      NAM   6  -8.178   3.956  -5.190
  704    H81  MUB 101           H81      NAM   6  -9.376   6.643  -7.257
  705    H82  MUB 101           H82      NAM   6  -7.923   5.708  -6.947
  706    H83  MUB 101           H83      NAM   6  -8.641   6.612  -5.625
  707    H3   MUB 101           H3       NAM   6 -11.349   3.296  -6.652
  708    H9   MUB 101           H9       NAM   6 -10.082   0.570  -5.905
  709   H111  MUB 101          H111      NAM   6  -7.841   0.923  -5.448
  710   H112  MUB 101          H112      NAM   6  -7.579   1.428  -7.095
  711   H113  MUB 101          H113      NAM   6  -7.546  -0.265  -6.801
  712    H4A  MUB 101           H4       NAM   6 -11.860   0.500  -5.652
  713    H5   MUB 101           H5       NAM   6 -13.851   2.561  -4.848
  714    H61  MUB 101           H61      NAM   6 -14.120   1.409  -3.020
  715    H62  MUB 101           H62      NAM   6 -12.359   1.327  -2.591
  716    HO6  MUB 101           HO6      NAM   6 -14.039  -0.378  -4.304
  717    H1   NAG 102           H1       NAG   7 -12.507   3.003  -7.829
  718    H2   NAG 102           H2       NAG   7 -15.145   1.444  -8.631
  719    H3   NAG 102           H3       NAG   7 -13.808   3.942  -9.938
  720    H4   NAG 102           H4       NAG   7 -16.427   3.942  -8.471
  721    H5   NAG 102           H5       NAG   7 -13.631   5.110  -7.440
  722    H61  NAG 102           H61      NAG   7 -16.085   4.852  -5.740
  723    H62  NAG 102           H62      NAG   7 -15.760   6.248  -6.743
  724    H81  NAG 102           H81      NAG   7 -12.101   0.452 -11.869
  725    H82  NAG 102           H82      NAG   7 -11.429  -0.365 -10.465
  726    H83  NAG 102           H83      NAG   7 -10.540   0.978 -11.178
  727    HN2  NAG 102           HN2      NAG   7 -13.887   0.381  -9.859
  728    HO3  NAG 102           HO3      NAG   7 -16.123   2.365 -10.239
  729    HO4  NAG 102           HO4      NAG   7 -15.950   5.461 -10.043
  730    HO6  NAG 102           HO6      NAG   7 -13.844   5.053  -5.020
  731    H1   MUB 101           H1       NAM   6  13.211   5.899   6.093
  732    H2   MUB 101           H2       NAM   6  13.687   7.967   6.587
  733    HN2  MUB 101           HN2      NAM   6  12.015   9.446   6.075
  734    H81  MUB 101           H81      NAM   6  11.595  11.454   4.521
  735    H82  MUB 101           H82      NAM   6  10.348  10.256   4.201
  736    H83  MUB 101           H83      NAM   6  11.292  10.880   2.853
  737    H3   MUB 101           H3       NAM   6  14.373   8.411   3.544
  738    H9   MUB 101           H9       NAM   6  15.423   8.348   6.440
  739   H111  MUB 101          H111      NAM   6  14.986  11.360   6.943
  740   H112  MUB 101          H112      NAM   6  15.486  10.266   8.205
  741   H113  MUB 101          H113      NAM   6  14.023   9.878   7.388
  742    H4A  MUB 101           H4       NAM   6  16.295   6.849   5.338
  743    H5   MUB 101           H5       NAM   6  15.141   5.315   3.128
  744    H61  MUB 101           H61      NAM   6  15.866   3.985   4.697
  745    H62  MUB 101           H62      NAM   6  14.156   3.839   5.202
  746    HO6  MUB 101           HO6      NAM   6  15.847   4.411   6.925
  747    H1   NAG 102           H1       NAG   7  15.984   8.704   2.441
  748    H2   NAG 102           H2       NAG   7  17.998   6.571   1.270
  749    H3   NAG 102           H3       NAG   7  16.824   9.141  -0.090
  750    H4   NAG 102           H4       NAG   7  16.174   6.320  -0.909
  751    H5   NAG 102           H5       NAG   7  14.335   8.349   0.733
  752    H61  NAG 102           H61      NAG   7  13.737   5.503  -0.049
  753    H62  NAG 102           H62      NAG   7  13.056   6.969  -0.711
  754    H81  NAG 102           H81      NAG   7  19.341  11.406   3.013
  755    H82  NAG 102           H82      NAG   7  20.396  10.465   1.966
  756    H83  NAG 102           H83      NAG   7  20.053   9.870   3.588
  757    HN2  NAG 102           HN2      NAG   7  19.445   7.921   1.934
  758    HO3  NAG 102           HO3      NAG   7  18.872   8.280  -0.649
  759    HO4  NAG 102           HO4      NAG   7  15.981   7.981  -2.355
  760    HO6  NAG 102           HO6      NAG   7  13.106   6.248   2.053
  Start of MODEL    5
    1    H    ZAE   1           HN1      DPH   1   8.609 -16.565  -2.303
    2    HA   ZAE   1           HA       DPH   1   8.327 -14.731  -3.838
    3    HB2  ZAE   1           HB1      DPH   1  10.181 -13.269  -2.293
    4    HB3  ZAE   1           HB2      DPH   1  10.404 -14.960  -1.854
    5    HD1  ZAE   1           HD1      DPH   1  11.723 -16.330  -3.189
    6    HD2  ZAE   1           HD2      DPH   1  10.096 -12.753  -4.842
    7    HE1  ZAE   1           HE1      DPH   1  12.992 -16.713  -5.267
    8    HE2  ZAE   1           HE2      DPH   1  11.357 -13.132  -6.921
    9    HZ   ZAE   1           HZ       DPH   1  12.808 -15.115  -7.136
   10    H11  ZAE   1          HN11      DPH   1   7.851 -14.584  -0.274
   11    H12  ZAE   1          HN12      DPH   1   9.328 -15.545  -0.350
   12    H13  ZAE   1          HN13      DPH   1   7.783 -16.330  -0.017
   13    HN2  ZAE   1           HN2      DPH   1   7.048 -15.913  -2.216
   14    H    ILE   2           HN       ILE   2   6.522 -13.503  -3.960
   15    HA   ILE   2           HA       ILE   2   6.634 -11.001  -2.513
   16    HB   ILE   2           HB       ILE   2   6.168 -10.388  -4.629
   17   HG12  ILE   2          HG12      ILE   2   3.420 -11.170  -3.678
   18   HG13  ILE   2          HG11      ILE   2   4.220  -9.630  -3.400
   19   HG21  ILE   2          HG21      ILE   2   4.942 -11.776  -6.323
   20   HG22  ILE   2          HG22      ILE   2   4.802 -13.051  -5.113
   21   HG23  ILE   2          HG23      ILE   2   6.393 -12.540  -5.674
   22   HD11  ILE   2          HD11      ILE   2   4.030  -9.078  -5.703
   23   HD12  ILE   2          HD12      ILE   2   2.453  -9.606  -5.111
   24   HD13  ILE   2          HD13      ILE   2   3.443 -10.697  -6.084
   25    H    SER   3           HN       SER   3   5.375 -10.432  -0.776
   26    HA   SER   3           HA       SER   3   2.741 -11.685  -0.573
   27    HB2  SER   3           HB2      SER   3   4.644 -11.679   1.771
   28    HB3  SER   3           HB1      SER   3   3.003 -12.315   1.752
   29    HG   SER   3           HG       SER   3   4.194 -13.559  -0.190
   30    H    DAR   4           HN       DAR   4   1.355 -10.747   1.016
   31    HA   DAR   4           HA       DAR   4   1.662  -7.838   1.208
   32    HB2  DAR   4           HB1      DAR   4   1.034  -9.726   3.477
   33    HB3  DAR   4           HB2      DAR   4   0.594  -8.026   3.514
   34    HG2  DAR   4           HG1      DAR   4   3.387  -9.077   3.236
   35    HG3  DAR   4           HG2      DAR   4   2.648  -8.458   4.721
   36    HD2  DAR   4           HD1      DAR   4   2.103  -6.436   3.053
   37    HD3  DAR   4           HD2      DAR   4   3.597  -7.029   2.329
   38    HE   DAR   4           HE       DAR   4   4.273  -6.874   4.891
   39   HH11  DAR   4          HH21      DAR   4   4.515  -3.412   5.469
   40   HH12  DAR   4          HH22      DAR   4   5.013  -5.044   6.042
   41   HH21  DAR   4          HH11      DAR   4   3.245  -3.188   3.574
   42   HH22  DAR   4          HH12      DAR   4   2.742  -4.654   2.651
   43    HA   28J   5           HA       28J   5  -2.673  -8.240   0.947
   44    H22  28J   5           HB       28J   5  -3.488  -7.795  -1.430
   45    H23  28J   5          HG21      28J   5  -1.764  -7.934  -3.168
   46    H24  28J   5          HG22      28J   5  -0.511  -7.877  -1.929
   47    H25  28J   5          HG23      28J   5  -1.566  -6.486  -2.182
   48    H26  28J   5          HG11      28J   5  -3.162 -10.033  -0.457
   49    H27  28J   5          HG12      28J   5  -1.460  -9.976  -0.903
   50    H28  28J   5          HD11      28J   5  -2.756 -11.342  -2.436
   51    H29  28J   5          HD12      28J   5  -2.050  -9.943  -3.248
   52    H30  28J   5          HD13      28J   5  -3.763  -9.949  -2.827
   53    H    ILE   6           HN       ILE   6  -4.558  -6.895   0.268
   54    HA   ILE   6           HA       ILE   6  -4.011  -4.069   0.836
   55    HB   ILE   6           HB       ILE   6  -4.258  -3.976  -1.527
   56   HG12  ILE   6          HG12      ILE   6  -7.084  -3.584  -0.522
   57   HG13  ILE   6          HG11      ILE   6  -5.793  -2.431  -0.224
   58   HG21  ILE   6          HG21      ILE   6  -6.590  -5.842  -1.179
   59   HG22  ILE   6          HG22      ILE   6  -5.005  -6.241  -1.846
   60   HG23  ILE   6          HG23      ILE   6  -6.068  -5.130  -2.709
   61   HD11  ILE   6          HD11      ILE   6  -7.247  -1.750  -2.043
   62   HD12  ILE   6          HD12      ILE   6  -6.865  -3.218  -2.885
   63   HD13  ILE   6          HD13      ILE   6  -5.612  -2.045  -2.607
   64    H    SER   7           HN       SER   7  -5.150  -3.622   2.576
   65    HA   SER   7           HA       SER   7  -7.992  -4.039   2.474
   66    HB2  SER   7           HB2      SER   7  -7.756  -4.764   4.988
   67    HB3  SER   7           HB1      SER   7  -7.650  -5.941   3.680
   68    HG   SER   7           HG       SER   7  -5.729  -6.339   4.271
   69    H    DTH   8           HN       DTC   8  -8.744  -3.426   4.869
   70    HA   DTH   8           HA       DTC   8  -7.676  -0.802   5.633
   71    HB   DTH   8           HB       DTC   8  -8.779  -1.051   7.783
   72   HG21  DTH   8          HG21      DTC   8  -6.635  -2.274   7.481
   73   HG22  DTH   8          HG22      DTC   8  -7.526  -3.704   6.953
   74   HG23  DTH   8          HG23      DTC   8  -7.712  -3.107   8.601
   75    H    ALA   9           HN       ALA   9 -10.357  -2.341   4.094
   76    HA   ALA   9           HA       ALA   9 -11.809   0.161   3.855
   77    HB1  ALA   9           HB1      ALA   9 -11.552  -1.734   2.056
   78    HB2  ALA   9           HB2      ALA   9 -13.039  -0.802   2.173
   79    HB3  ALA   9           HB3      ALA   9 -12.954  -2.412   2.884
   80    H    LEU  10           HN       LEU  10 -12.952  -3.121   4.594
   81    HA   LEU  10           HA       LEU  10 -15.148  -2.083   6.181
   82    HB2  LEU  10           HB2      LEU  10 -15.272  -4.669   6.773
   83    HB3  LEU  10           HB1      LEU  10 -15.873  -4.037   5.252
   84    HG   LEU  10           HG       LEU  10 -13.386  -4.591   4.480
   85   HD11  LEU  10          HD11      LEU  10 -13.948  -6.583   6.659
   86   HD12  LEU  10          HD12      LEU  10 -12.691  -5.346   6.684
   87   HD13  LEU  10          HD13      LEU  10 -12.620  -6.650   5.503
   88   HD21  LEU  10          HD21      LEU  10 -15.363  -5.457   3.410
   89   HD22  LEU  10          HD22      LEU  10 -15.622  -6.584   4.742
   90   HD23  LEU  10          HD23      LEU  10 -14.218  -6.767   3.693
   91    H    ILE  11           HN       ILE  11 -12.111  -3.684   6.665
   92    HA   ILE  11           HA       ILE  11 -12.377  -3.084   9.549
   93    HB   ILE  11           HB       ILE  11 -11.105  -5.540   8.309
   94   HG12  ILE  11          HG12      ILE  11 -13.266  -5.293  10.424
   95   HG13  ILE  11          HG11      ILE  11 -13.584  -5.605   8.722
   96   HG21  ILE  11          HG21      ILE  11 -10.403  -6.161  10.556
   97   HG22  ILE  11          HG22      ILE  11 -11.027  -4.635  11.183
   98   HG23  ILE  11          HG23      ILE  11  -9.662  -4.638  10.065
   99   HD11  ILE  11          HD11      ILE  11 -11.987  -7.391  10.550
  100   HD12  ILE  11          HD12      ILE  11 -12.404  -7.718   8.868
  101   HD13  ILE  11          HD13      ILE  11 -13.673  -7.638  10.090
  102    H    ZAE   1           HN1      DPH   1  -9.071   5.259   3.551
  103    HA   ZAE   1           HA       DPH   1  -9.483   3.928   1.561
  104    HB2  ZAE   1           HB1      DPH   1 -10.428   2.023   3.538
  105    HB3  ZAE   1           HB2      DPH   1 -10.616   3.670   4.118
  106    HD1  ZAE   1           HD1      DPH   1 -12.787   4.405   3.858
  107    HD2  ZAE   1           HD2      DPH   1 -11.029   2.015   0.804
  108    HE1  ZAE   1           HE1      DPH   1 -14.846   4.607   2.513
  109    HE2  ZAE   1           HE2      DPH   1 -13.072   2.222  -0.544
  110    HZ   ZAE   1           HZ       DPH   1 -14.987   3.516   0.306
  111    H11  ZAE   1          HN11      DPH   1  -7.501   2.914   4.385
  112    H12  ZAE   1          HN12      DPH   1  -8.899   3.614   5.200
  113    H13  ZAE   1          HN13      DPH   1  -7.378   4.505   5.142
  114    HN2  ZAE   1           HN2      DPH   1  -7.634   4.806   2.776
  115    H    ILE   2           HN       ILE   2  -7.689   2.976   0.436
  116    HA   ILE   2           HA       ILE   2  -7.357   0.163   1.265
  117    HB   ILE   2           HB       ILE   2  -6.557  -0.359  -0.908
  118   HG12  ILE   2          HG12      ILE   2  -6.556   2.562  -1.649
  119   HG13  ILE   2          HG11      ILE   2  -5.121   1.715  -1.098
  120   HG21  ILE   2          HG21      ILE   2  -8.841   1.590  -1.282
  121   HG22  ILE   2          HG22      ILE   2  -9.007  -0.093  -0.784
  122   HG23  ILE   2          HG23      ILE   2  -8.386   0.294  -2.386
  123   HD11  ILE   2          HD11      ILE   2  -5.562   0.131  -3.030
  124   HD12  ILE   2          HD12      ILE   2  -4.971   1.752  -3.400
  125   HD13  ILE   2          HD13      ILE   2  -6.680   1.367  -3.606
  126    H    SER   3           HN       SER   3  -5.598  -0.787   2.017
  127    HA   SER   3           HA       SER   3  -3.013   0.475   1.612
  128    HB2  SER   3           HB2      SER   3  -3.443  -0.285   4.426
  129    HB3  SER   3           HB1      SER   3  -2.509   1.042   3.739
  130    HG   SER   3           HG       SER   3  -5.346   0.973   3.880
  131    H    DAR   4           HN       DAR   4  -1.283  -0.747   2.098
  132    HA   DAR   4           HA       DAR   4  -1.678  -3.632   1.758
  133    HB2  DAR   4           HB1      DAR   4   0.029  -2.365   3.910
  134    HB3  DAR   4           HB2      DAR   4   0.306  -3.989   3.312
  135    HG2  DAR   4           HG1      DAR   4  -2.284  -3.138   4.546
  136    HG3  DAR   4           HG2      DAR   4  -0.931  -3.843   5.445
  137    HD2  DAR   4           HD1      DAR   4  -0.960  -5.743   3.851
  138    HD3  DAR   4           HD2      DAR   4  -2.430  -5.076   3.152
  139    HE   DAR   4           HE       DAR   4  -2.986  -5.330   5.805
  140   HH11  DAR   4          HH21      DAR   4  -3.780  -8.782   5.847
  141   HH12  DAR   4          HH22      DAR   4  -3.990  -7.215   6.705
  142   HH21  DAR   4          HH11      DAR   4  -2.659  -8.869   3.845
  143   HH22  DAR   4          HH12      DAR   4  -1.973  -7.362   3.137
  144    HA   28J   5           HA       28J   5   2.339  -3.052  -0.051
  145    H22  28J   5           HB       28J   5   2.068  -3.156  -2.483
  146    H23  28J   5          HG21      28J   5  -0.077  -3.505  -3.540
  147    H24  28J   5          HG22      28J   5  -0.828  -3.822  -1.976
  148    H25  28J   5          HG23      28J   5   0.379  -4.935  -2.617
  149    H26  28J   5          HG11      28J   5   1.608  -1.126  -1.167
  150    H27  28J   5          HG12      28J   5  -0.092  -1.568  -1.102
  151    H28  28J   5          HD11      28J   5   0.491  -1.620  -3.795
  152    H29  28J   5          HD12      28J   5   1.404  -0.241  -3.181
  153    H30  28J   5          HD13      28J   5  -0.336  -0.333  -2.919
  154    H    ILE   6           HN       ILE   6   4.006  -4.283  -1.039
  155    HA   ILE   6           HA       ILE   6   3.579  -7.166  -1.136
  156    HB   ILE   6           HB       ILE   6   4.435  -7.481  -3.437
  157   HG12  ILE   6          HG12      ILE   6   3.790  -5.061  -4.705
  158   HG13  ILE   6          HG11      ILE   6   4.771  -4.595  -3.330
  159   HG21  ILE   6          HG21      ILE   6   2.001  -5.741  -3.410
  160   HG22  ILE   6          HG22      ILE   6   2.026  -7.450  -2.976
  161   HG23  ILE   6          HG23      ILE   6   2.419  -6.954  -4.623
  162   HD11  ILE   6          HD11      ILE   6   6.084  -4.849  -5.365
  163   HD12  ILE   6          HD12      ILE   6   5.566  -6.514  -5.469
  164   HD13  ILE   6          HD13      ILE   6   6.574  -6.011  -4.137
  165    H    SER   7           HN       SER   7   5.319  -8.184  -0.452
  166    HA   SER   7           HA       SER   7   7.906  -7.373  -1.356
  167    HB2  SER   7           HB2      SER   7   8.633  -7.014   1.025
  168    HB3  SER   7           HB1      SER   7   7.626  -5.789   0.275
  169    HG   SER   7           HG       SER   7   5.936  -7.341   1.336
  170    H    DTH   8           HN       DTC   8   9.511  -8.289   0.299
  171    HA   DTH   8           HA       DTC   8   8.994 -11.045   1.116
  172    HB   DTH   8           HB       DTC   8  10.792 -10.906   2.628
  173   HG21  DTH   8          HG21      DTC   8   9.680  -8.073   2.462
  174   HG22  DTH   8          HG22      DTC   8  10.410  -8.824   3.881
  175   HG23  DTH   8          HG23      DTC   8   8.882  -9.432   3.247
  176    H    ALA   9           HN       ALA   9  10.869  -9.394  -1.351
  177    HA   ALA   9           HA       ALA   9  11.697 -11.944  -2.384
  178    HB1  ALA   9           HB1      ALA   9  12.689 -10.585  -4.198
  179    HB2  ALA   9           HB2      ALA   9  12.173  -9.139  -3.333
  180    HB3  ALA   9           HB3      ALA   9  10.973 -10.284  -3.934
  181    H    LEU  10           HN       LEU  10  13.495  -9.021  -1.940
  182    HA   LEU  10           HA       LEU  10  15.927 -10.588  -1.473
  183    HB2  LEU  10           HB2      LEU  10  17.094  -8.351  -1.410
  184    HB3  LEU  10           HB1      LEU  10  16.335  -8.777  -2.924
  185    HG   LEU  10           HG       LEU  10  16.001  -6.434  -2.474
  186   HD11  LEU  10          HD11      LEU  10  14.033  -8.283  -3.088
  187   HD12  LEU  10          HD12      LEU  10  14.049  -6.567  -3.475
  188   HD13  LEU  10          HD13      LEU  10  13.275  -7.126  -2.001
  189   HD21  LEU  10          HD21      LEU  10  14.762  -7.356   0.104
  190   HD22  LEU  10          HD22      LEU  10  14.516  -5.746  -0.576
  191   HD23  LEU  10          HD23      LEU  10  16.133  -6.266  -0.112
  192    H    ILE  11           HN       ILE  11  13.481  -9.023   0.243
  193    HA   ILE  11           HA       ILE  11  14.996  -9.397   2.747
  194    HB   ILE  11           HB       ILE  11  13.759  -6.758   1.922
  195   HG12  ILE  11          HG12      ILE  11  16.349  -7.381   3.379
  196   HG13  ILE  11          HG11      ILE  11  16.230  -7.007   1.664
  197   HG21  ILE  11          HG21      ILE  11  14.297  -7.659   4.741
  198   HG22  ILE  11          HG22      ILE  11  12.705  -7.413   4.020
  199   HG23  ILE  11          HG23      ILE  11  13.792  -6.043   4.248
  200   HD11  ILE  11          HD11      ILE  11  15.521  -5.147   3.933
  201   HD12  ILE  11          HD12      ILE  11  15.415  -4.764   2.216
  202   HD13  ILE  11          HD13      ILE  11  16.986  -5.080   2.952
  203    H    ZAE   1           HN1      DPH   1   7.788  -5.542   3.037
  204    HA   ZAE   1           HA       DPH   1   8.295  -4.435   1.069
  205    HB2  ZAE   1           HB1      DPH   1   9.714  -2.340   2.147
  206    HB3  ZAE   1           HB2      DPH   1   9.552  -3.431   3.528
  207    HD1  ZAE   1           HD1      DPH   1  10.005  -5.969   2.978
  208    HD2  ZAE   1           HD2      DPH   1  11.388  -2.684   0.633
  209    HE1  ZAE   1           HE1      DPH   1  11.650  -7.443   1.880
  210    HE2  ZAE   1           HE2      DPH   1  13.037  -4.151  -0.453
  211    HZ   ZAE   1           HZ       DPH   1  13.150  -6.534   0.161
  212    H11  ZAE   1          HN11      DPH   1   7.372  -2.874   4.139
  213    H12  ZAE   1          HN12      DPH   1   8.379  -4.187   4.751
  214    H13  ZAE   1          HN13      DPH   1   6.623  -4.288   4.881
  215    HN2  ZAE   1           HN2      DPH   1   6.385  -4.680   2.637
  216    H    ILE   2           HN       ILE   2   6.826  -3.426  -0.299
  217    HA   ILE   2           HA       ILE   2   6.475  -0.560  -0.063
  218    HB   ILE   2           HB       ILE   2   5.902  -0.668  -2.252
  219   HG12  ILE   2          HG12      ILE   2   3.883  -2.831  -1.634
  220   HG13  ILE   2          HG11      ILE   2   3.553  -1.113  -1.442
  221   HG21  ILE   2          HG21      ILE   2   6.087  -3.661  -1.917
  222   HG22  ILE   2          HG22      ILE   2   7.445  -2.573  -2.212
  223   HG23  ILE   2          HG23      ILE   2   6.191  -2.768  -3.435
  224   HD11  ILE   2          HD11      ILE   2   2.642  -1.679  -3.502
  225   HD12  ILE   2          HD12      ILE   2   4.044  -2.641  -3.970
  226   HD13  ILE   2          HD13      ILE   2   4.165  -0.884  -3.881
  227    H    SER   3           HN       SER   3   4.842   0.503   0.890
  228    HA   SER   3           HA       SER   3   2.252  -0.761   0.967
  229    HB2  SER   3           HB2      SER   3   3.253   0.353   3.561
  230    HB3  SER   3           HB1      SER   3   1.802  -0.599   3.259
  231    HG   SER   3           HG       SER   3   4.092  -1.898   2.531
  232    H    DAR   4           HN       DAR   4   0.664   0.625   1.975
  233    HA   DAR   4           HA       DAR   4   1.058   3.362   1.031
  234    HB2  DAR   4           HB1      DAR   4   0.048   2.571   3.765
  235    HB3  DAR   4           HB2      DAR   4  -0.353   4.114   3.036
  236    HG2  DAR   4           HG1      DAR   4   2.428   3.165   3.712
  237    HG3  DAR   4           HG2      DAR   4   1.468   4.330   4.624
  238    HD2  DAR   4           HD1      DAR   4   1.366   5.677   2.461
  239    HD3  DAR   4           HD2      DAR   4   2.672   4.641   1.897
  240    HE   DAR   4           HE       DAR   4   3.654   5.510   4.224
  241   HH11  DAR   4          HH21      DAR   4   4.547   8.850   3.523
  242   HH12  DAR   4          HH22      DAR   4   4.858   7.430   4.583
  243   HH21  DAR   4          HH11      DAR   4   2.999   8.714   1.830
  244   HH22  DAR   4          HH12      DAR   4   2.101   7.180   1.554
  245    HA   28J   5           HA       28J   5  -3.223   2.790   0.409
  246    H22  28J   5           HB       28J   5  -3.449   2.286  -2.128
  247    H23  28J   5          HG21      28J   5  -1.286   3.226  -2.764
  248    H24  28J   5          HG22      28J   5  -1.393   1.517  -3.180
  249    H25  28J   5          HG23      28J   5  -0.467   2.023  -1.767
  250    H26  28J   5          HG11      28J   5  -3.563   0.647  -0.257
  251    H27  28J   5          HG12      28J   5  -1.815   0.465  -0.340
  252    H28  28J   5          HD11      28J   5  -1.966  -1.002  -1.989
  253    H29  28J   5          HD12      28J   5  -3.055   0.036  -2.909
  254    H30  28J   5          HD13      28J   5  -3.699  -1.041  -1.671
  255    H    ILE   6           HN       ILE   6  -4.949   3.685  -0.695
  256    HA   ILE   6           HA       ILE   6  -4.528   6.477  -1.278
  257    HB   ILE   6           HB       ILE   6  -3.998   5.194  -3.366
  258   HG12  ILE   6          HG12      ILE   6  -6.177   7.254  -3.602
  259   HG13  ILE   6          HG11      ILE   6  -4.478   7.609  -3.339
  260   HG21  ILE   6          HG21      ILE   6  -5.693   3.532  -3.450
  261   HG22  ILE   6          HG22      ILE   6  -5.886   4.571  -4.859
  262   HG23  ILE   6          HG23      ILE   6  -6.977   4.739  -3.481
  263   HD11  ILE   6          HD11      ILE   6  -3.955   6.644  -5.517
  264   HD12  ILE   6          HD12      ILE   6  -5.135   7.950  -5.652
  265   HD13  ILE   6          HD13      ILE   6  -5.662   6.270  -5.749
  266    H    SER   7           HN       SER   7  -6.041   7.669  -0.511
  267    HA   SER   7           HA       SER   7  -8.810   7.161  -0.775
  268    HB2  SER   7           HB2      SER   7  -9.034   6.953   1.848
  269    HB3  SER   7           HB1      SER   7  -8.807   5.526   0.835
  270    HG   SER   7           HG       SER   7  -6.417   6.511   1.397
  271    H    DTH   8           HN       DTC   8  -9.966   8.414   1.143
  272    HA   DTH   8           HA       DTC   8  -8.679  11.044   1.585
  273    HB   DTH   8           HB       DTC   8 -10.212  11.450   3.484
  274   HG21  DTH   8          HG21      DTC   8  -8.050  10.367   3.977
  275   HG22  DTH   8          HG22      DTC   8  -8.777   8.774   3.749
  276   HG23  DTH   8          HG23      DTC   8  -9.313   9.812   5.070
  277    H    ALA   9           HN       ALA   9 -11.151   9.637  -0.182
  278    HA   ALA   9           HA       ALA   9 -12.639  12.045  -0.601
  279    HB1  ALA   9           HB1      ALA   9 -12.018  10.373  -2.353
  280    HB2  ALA   9           HB2      ALA   9 -13.721  10.782  -2.311
  281    HB3  ALA   9           HB3      ALA   9 -13.160   9.266  -1.616
  282    H    LEU  10           HN       LEU  10 -13.524   8.789  -0.026
  283    HA   LEU  10           HA       LEU  10 -16.110   9.380   1.005
  284    HB2  LEU  10           HB2      LEU  10 -14.952   6.799   1.815
  285    HB3  LEU  10           HB1      LEU  10 -16.470   7.155   1.020
  286    HG   LEU  10           HG       LEU  10 -15.384   5.926  -0.590
  287   HD11  LEU  10          HD11      LEU  10 -16.088   7.786  -1.750
  288   HD12  LEU  10          HD12      LEU  10 -14.402   7.620  -2.239
  289   HD13  LEU  10          HD13      LEU  10 -14.858   8.824  -1.035
  290   HD21  LEU  10          HD21      LEU  10 -13.259   5.509   0.257
  291   HD22  LEU  10          HD22      LEU  10 -12.858   7.220   0.372
  292   HD23  LEU  10          HD23      LEU  10 -12.937   6.436  -1.206
  293    H    ILE  11           HN       ILE  11 -12.974   9.015   2.381
  294    HA   ILE  11           HA       ILE  11 -14.024   9.760   5.019
  295    HB   ILE  11           HB       ILE  11 -12.398   7.203   4.719
  296   HG12  ILE  11          HG12      ILE  11 -15.243   7.584   5.714
  297   HG13  ILE  11          HG11      ILE  11 -14.780   6.792   4.213
  298   HG21  ILE  11          HG21      ILE  11 -13.472   8.523   7.203
  299   HG22  ILE  11          HG22      ILE  11 -11.793   8.579   6.665
  300   HG23  ILE  11          HG23      ILE  11 -12.520   7.040   7.127
  301   HD11  ILE  11          HD11      ILE  11 -14.347   5.829   7.030
  302   HD12  ILE  11          HD12      ILE  11 -13.540   5.106   5.641
  303   HD13  ILE  11          HD13      ILE  11 -15.299   5.077   5.750
  304    H    ZAE   1           HN1      DPH   1  -8.446  16.729  -0.806
  305    HA   ZAE   1           HA       DPH   1  -9.159  14.788  -2.032
  306    HB2  ZAE   1           HB1      DPH   1 -10.392  13.726   0.185
  307    HB3  ZAE   1           HB2      DPH   1  -9.978  15.347   0.731
  308    HD1  ZAE   1           HD1      DPH   1 -11.731  16.820   0.576
  309    HD2  ZAE   1           HD2      DPH   1 -11.252  13.871  -2.469
  310    HE1  ZAE   1           HE1      DPH   1 -13.705  17.716  -0.601
  311    HE2  ZAE   1           HE2      DPH   1 -13.223  14.764  -3.649
  312    HZ   ZAE   1           HZ       DPH   1 -14.454  16.686  -2.714
  313    H11  ZAE   1          HN11      DPH   1  -7.175  14.779   0.988
  314    H12  ZAE   1          HN12      DPH   1  -8.362  16.017   1.402
  315    H13  ZAE   1          HN13      DPH   1  -6.731  16.486   0.922
  316    HN2  ZAE   1           HN2      DPH   1  -7.123  15.790  -1.287
  317    H    ILE   2           HN       ILE   2  -7.582  13.361  -2.715
  318    HA   ILE   2           HA       ILE   2  -7.441  10.905  -1.201
  319    HB   ILE   2           HB       ILE   2  -7.371   9.997  -3.244
  320   HG12  ILE   2          HG12      ILE   2  -4.754  11.473  -3.417
  321   HG13  ILE   2          HG11      ILE   2  -5.030   9.757  -3.156
  322   HG21  ILE   2          HG21      ILE   2  -6.835  12.622  -4.599
  323   HG22  ILE   2          HG22      ILE   2  -8.400  12.248  -3.881
  324   HG23  ILE   2          HG23      ILE   2  -7.764  11.237  -5.176
  325   HD11  ILE   2          HD11      ILE   2  -5.970   9.742  -5.529
  326   HD12  ILE   2          HD12      ILE   2  -4.226   9.900  -5.325
  327   HD13  ILE   2          HD13      ILE   2  -5.203  11.320  -5.695
  328    H    SER   3           HN       SER   3  -5.688  10.118  -0.164
  329    HA   SER   3           HA       SER   3  -3.077  11.302  -0.631
  330    HB2  SER   3           HB2      SER   3  -4.239  11.204   2.158
  331    HB3  SER   3           HB1      SER   3  -2.580  11.637   1.754
  332    HG   SER   3           HG       SER   3  -4.238  13.157   0.318
  333    H    DAR   4           HN       DAR   4  -1.395  10.135   0.667
  334    HA   DAR   4           HA       DAR   4  -2.015   7.259   0.624
  335    HB2  DAR   4           HB1      DAR   4  -0.341   8.866   2.532
  336    HB3  DAR   4           HB2      DAR   4  -0.123   7.131   2.345
  337    HG2  DAR   4           HG1      DAR   4  -2.702   8.465   3.106
  338    HG3  DAR   4           HG2      DAR   4  -1.564   7.725   4.239
  339    HD2  DAR   4           HD1      DAR   4  -1.830   5.690   2.568
  340    HD3  DAR   4           HD2      DAR   4  -3.384   6.471   2.268
  341    HE   DAR   4           HE       DAR   4  -3.141   6.351   4.989
  342   HH11  DAR   4          HH21      DAR   4  -4.380   3.112   5.491
  343   HH12  DAR   4          HH22      DAR   4  -4.058   4.708   6.256
  344   HH21  DAR   4          HH11      DAR   4  -3.891   2.777   3.250
  345   HH22  DAR   4          HH12      DAR   4  -3.205   4.134   2.286
  346    HA   28J   5           HA       28J   5   1.788   7.257  -1.520
  347    H22  28J   5           HB       28J   5   1.401   6.553  -3.963
  348    H23  28J   5          HG21      28J   5  -1.474   6.890  -3.106
  349    H24  28J   5          HG22      28J   5  -0.719   5.360  -3.551
  350    H25  28J   5          HG23      28J   5  -0.900   6.637  -4.753
  351    H26  28J   5          HG11      28J   5   1.553   8.929  -3.093
  352    H27  28J   5          HG12      28J   5  -0.203   8.929  -2.992
  353    H28  28J   5          HD11      28J   5   0.655  10.025  -5.021
  354    H29  28J   5          HD12      28J   5  -0.397   8.654  -5.368
  355    H30  28J   5          HD13      28J   5   1.351   8.487  -5.528
  356    H    ILE   6           HN       ILE   6   3.006   5.620  -2.935
  357    HA   ILE   6           HA       ILE   6   2.837   2.980  -1.661
  358    HB   ILE   6           HB       ILE   6   1.783   2.435  -3.636
  359   HG12  ILE   6          HG12      ILE   6   4.706   2.142  -4.350
  360   HG13  ILE   6          HG11      ILE   6   3.747   1.002  -3.413
  361   HG21  ILE   6          HG21      ILE   6   2.373   3.334  -5.870
  362   HG22  ILE   6          HG22      ILE   6   3.558   4.388  -5.097
  363   HG23  ILE   6          HG23      ILE   6   1.843   4.571  -4.732
  364   HD11  ILE   6          HD11      ILE   6   2.315   0.677  -5.388
  365   HD12  ILE   6          HD12      ILE   6   3.999   0.211  -5.635
  366   HD13  ILE   6          HD13      ILE   6   3.401   1.734  -6.291
  367    H    SER   7           HN       SER   7   4.744   2.544  -0.721
  368    HA   SER   7           HA       SER   7   7.257   2.822  -2.149
  369    HB2  SER   7           HB2      SER   7   8.291   3.924  -0.037
  370    HB3  SER   7           HB1      SER   7   7.428   4.964  -1.173
  371    HG   SER   7           HG       SER   7   5.729   3.917   0.622
  372    H    DTH   8           HN       DTC   8   8.915   1.535  -1.267
  373    HA   DTH   8           HA       DTC   8   7.989  -0.553   0.562
  374    HB   DTH   8           HB       DTC   8   9.899  -0.542   2.028
  375   HG21  DTH   8          HG21      DTC   8   8.884   2.296   1.705
  376   HG22  DTH   8          HG22      DTC   8   9.648   1.625   3.149
  377   HG23  DTH   8          HG23      DTC   8   8.086   1.009   2.605
  378    H    ALA   9           HN       ALA   9  10.419   0.639  -1.678
  379    HA   ALA   9           HA       ALA   9  10.810  -1.949  -2.766
  380    HB1  ALA   9           HB1      ALA   9  10.907   0.967  -3.530
  381    HB2  ALA   9           HB2      ALA   9  10.151  -0.355  -4.407
  382    HB3  ALA   9           HB3      ALA   9  11.897  -0.143  -4.465
  383    H    LEU  10           HN       LEU  10  12.960   0.764  -2.774
  384    HA   LEU  10           HA       LEU  10  15.249  -0.673  -1.850
  385    HB2  LEU  10           HB2      LEU  10  16.220   1.728  -1.849
  386    HB3  LEU  10           HB1      LEU  10  15.772   0.987  -3.372
  387    HG   LEU  10           HG       LEU  10  15.113   3.347  -3.236
  388   HD11  LEU  10          HD11      LEU  10  13.734   1.212  -4.184
  389   HD12  LEU  10          HD12      LEU  10  13.362   2.897  -4.523
  390   HD13  LEU  10          HD13      LEU  10  12.517   2.061  -3.245
  391   HD21  LEU  10          HD21      LEU  10  12.950   3.657  -1.774
  392   HD22  LEU  10          HD22      LEU  10  14.542   3.889  -1.071
  393   HD23  LEU  10          HD23      LEU  10  13.673   2.379  -0.818
  394    H    ILE  11           HN       ILE  11  12.803   1.008  -0.419
  395    HA   ILE  11           HA       ILE  11  14.131   1.056   2.189
  396    HB   ILE  11           HB       ILE  11  13.022   3.495   0.820
  397   HG12  ILE  11          HG12      ILE  11  15.486   2.801   2.383
  398   HG13  ILE  11          HG11      ILE  11  15.345   3.637   0.841
  399   HG21  ILE  11          HG21      ILE  11  13.139   3.188   3.814
  400   HG22  ILE  11          HG22      ILE  11  11.660   3.142   2.854
  401   HG23  ILE  11          HG23      ILE  11  12.629   4.614   2.909
  402   HD11  ILE  11          HD11      ILE  11  16.097   5.209   2.466
  403   HD12  ILE  11          HD12      ILE  11  14.812   4.758   3.585
  404   HD13  ILE  11          HD13      ILE  11  14.420   5.602   2.089
  405    H1   ALA   1           HN       ALA   1 -16.048 -10.874  -0.446
  406    HA   ALA   1           HA       ALA   1 -17.539 -13.187   0.021
  407    HB1  ALA   1           HB1      ALA   1 -16.573 -13.151   2.266
  408    HB2  ALA   1           HB2      ALA   1 -18.321 -12.863   2.320
  409    HB3  ALA   1           HB3      ALA   1 -17.191 -11.518   2.500
  410    H    DGL   2           HN       DGL   2 -18.830 -12.257  -1.622
  411    HA   DGL   2           HA       DGL   2 -20.946 -11.299  -2.091
  412    HB2  DGL   2           HB1      DGL   2 -18.956  -9.236  -1.835
  413    HB3  DGL   2           HB2      DGL   2 -20.078  -8.799  -0.562
  414    HG2  DGL   2           HG1      DGL   2 -21.887  -8.587  -2.443
  415    HG3  DGL   2           HG2      DGL   2 -20.590  -8.644  -3.629
  416    H    LYS   3           HN       LYS   3 -19.149  -7.167  -1.184
  417    HA   LYS   3           HA       LYS   3 -18.516  -5.171  -0.664
  418    HB2  LYS   3           HB2      LYS   3 -18.002  -5.096  -3.009
  419    HB3  LYS   3           HB1      LYS   3 -19.551  -4.310  -3.357
  420    HG2  LYS   3           HG2      LYS   3 -18.368  -2.907  -1.191
  421    HG3  LYS   3           HG1      LYS   3 -17.087  -3.192  -2.352
  422    HD2  LYS   3           HD2      LYS   3 -17.930  -1.021  -2.903
  423    HD3  LYS   3           HD1      LYS   3 -18.427  -2.166  -4.103
  424    HE2  LYS   3           HE2      LYS   3 -20.125  -0.419  -3.596
  425    HE3  LYS   3           HE1      LYS   3 -20.613  -2.269  -3.368
  426    HZ1  LYS   3           HZ1      LYS   3 -20.538  -0.383  -1.128
  427    HZ2  LYS   3           HZ2      LYS   3 -21.072  -1.935  -1.279
  428    HZ3  LYS   3           HZ3      LYS   3 -21.887  -0.674  -2.109
  429    H    DAL   4           HN       DAL   4 -19.574  -5.246   1.039
  430    HA   DAL   4           HA       DAL   4 -20.635  -4.138   3.079
  431    HB1  DAL   4           HB1      DAL   4 -23.180  -4.745   1.867
  432    HB2  DAL   4           HB2      DAL   4 -22.809  -4.326   3.531
  433    HB3  DAL   4           HB3      DAL   4 -22.225  -5.872   2.859
  434    H    DAL   5           HN       DAL   5 -19.196  -2.327   2.863
  435    HA   DAL   5           HA       DAL   5 -18.434   0.203   2.656
  436    HB1  DAL   5           HB1      DAL   5 -20.776  -0.079   3.862
  437    HB2  DAL   5           HB2      DAL   5 -21.531  -0.028   2.279
  438    HB3  DAL   5           HB3      DAL   5 -20.693   1.403   2.902
  439    H1   ALA   1           HN       ALA   1  13.952  -7.321 -11.243
  440    HA   ALA   1           HA       ALA   1  14.110  -8.507 -13.778
  441    HB1  ALA   1           HB1      ALA   1  11.839  -8.761 -14.474
  442    HB2  ALA   1           HB2      ALA   1  11.237  -8.145 -12.928
  443    HB3  ALA   1           HB3      ALA   1  12.070  -9.699 -13.000
  444    H    DGL   2           HN       DGL   2  12.945  -6.057 -11.590
  445    HA   DGL   2           HA       DGL   2  13.034  -3.817 -11.778
  446    HB2  DGL   2           HB1      DGL   2  11.938  -4.537 -14.631
  447    HB3  DGL   2           HB2      DGL   2  11.890  -2.876 -14.031
  448    HG2  DGL   2           HG1      DGL   2   9.635  -3.460 -13.681
  449    HG3  DGL   2           HG2      DGL   2  10.237  -4.006 -12.125
  450    H    LYS   3           HN       LYS   3   8.811  -4.986 -15.114
  451    HA   LYS   3           HA       LYS   3   7.854  -6.800 -15.816
  452    HB2  LYS   3           HB2      LYS   3  10.524  -7.479 -15.223
  453    HB3  LYS   3           HB1      LYS   3   9.522  -8.924 -15.000
  454    HG2  LYS   3           HG2      LYS   3   9.171  -7.119 -17.385
  455    HG3  LYS   3           HG1      LYS   3  10.430  -8.337 -17.367
  456    HD2  LYS   3           HD2      LYS   3   7.415  -8.910 -17.266
  457    HD3  LYS   3           HD1      LYS   3   8.541  -9.130 -18.564
  458    HE2  LYS   3           HE1      LYS   3   8.949 -11.205 -18.071
  459    HE3  LYS   3           HE2      LYS   3   9.496 -10.555 -16.356
  460    HZ1  LYS   3           HZ1      LYS   3   7.058 -12.116 -16.974
  461    HZ2  LYS   3           HZ2      LYS   3   7.326 -11.213 -15.540
  462    HZ3  LYS   3           HZ3      LYS   3   8.383 -12.455 -15.973
  463    H    DAL   4           HN       DAL   4   6.147  -7.467 -15.491
  464    HA   DAL   4           HA       DAL   4   3.903  -7.964 -14.267
  465    HB1  DAL   4           HB1      DAL   4   4.538  -7.233 -12.150
  466    HB2  DAL   4           HB2      DAL   4   5.150  -8.835 -11.771
  467    HB3  DAL   4           HB3      DAL   4   3.425  -8.621 -12.175
  468    H    DAL   5           HN       DAL   5   3.167  -9.436 -15.778
  469    HA   DAL   5           HA       DAL   5   2.747 -11.517 -17.353
  470    HB1  DAL   5           HB1      DAL   5   2.781 -12.141 -14.763
  471    HB2  DAL   5           HB2      DAL   5   4.509 -12.398 -14.922
  472    HB3  DAL   5           HB3      DAL   5   3.378 -13.448 -15.791
  473    H1   ALA   1           HN       ALA   1 -14.897  12.803  -8.929
  474    HA   ALA   1           HA       ALA   1 -15.261  15.240 -10.249
  475    HB1  ALA   1           HB1      ALA   1 -13.424  16.064  -8.864
  476    HB2  ALA   1           HB2      ALA   1 -12.973  16.044 -10.576
  477    HB3  ALA   1           HB3      ALA   1 -12.381  14.788  -9.485
  478    H    DGL   2           HN       DGL   2 -14.402  15.279 -12.534
  479    HA   DGL   2           HA       DGL   2 -13.205  14.309 -14.133
  480    HB2  DGL   2           HB1      DGL   2 -14.304  11.727 -14.540
  481    HB3  DGL   2           HB2      DGL   2 -15.319  13.123 -14.895
  482    HG2  DGL   2           HG1      DGL   2 -16.800  12.570 -13.211
  483    HG3  DGL   2           HG2      DGL   2 -15.538  12.330 -12.011
  484    H    LYS   3           HN       LYS   3 -14.159  10.240 -13.356
  485    HA   LYS   3           HA       LYS   3 -14.027   8.077 -13.420
  486    HB2  LYS   3           HB2      LYS   3 -15.398   8.512 -11.253
  487    HB3  LYS   3           HB1      LYS   3 -16.610   7.518 -12.080
  488    HG2  LYS   3           HG2      LYS   3 -13.723   6.678 -12.024
  489    HG3  LYS   3           HG1      LYS   3 -14.731   6.414 -10.617
  490    HD2  LYS   3           HD2      LYS   3 -15.154   4.368 -11.522
  491    HD3  LYS   3           HD1      LYS   3 -16.321   5.306 -12.391
  492    HE2  LYS   3           HE1      LYS   3 -15.372   3.778 -13.931
  493    HE3  LYS   3           HE2      LYS   3 -14.750   5.579 -14.225
  494    HZ1  LYS   3           HZ1      LYS   3 -12.775   3.769 -13.268
  495    HZ2  LYS   3           HZ2      LYS   3 -12.799   4.998 -14.333
  496    HZ3  LYS   3           HZ3      LYS   3 -13.384   3.472 -14.815
  497    H    DAL   4           HN       DAL   4 -14.495   9.191 -15.532
  498    HA   DAL   4           HA       DAL   4 -15.002   8.999 -18.034
  499    HB1  DAL   4           HB1      DAL   4 -17.451   7.567 -17.592
  500    HB2  DAL   4           HB2      DAL   4 -16.800   8.250 -19.073
  501    HB3  DAL   4           HB3      DAL   4 -17.305   9.333 -17.749
  502    H    DAL   5           HN       DAL   5 -12.675   8.290 -17.481
  503    HA   DAL   5           HA       DAL   5 -10.549   6.753 -17.756
  504    HB1  DAL   5           HB1      DAL   5 -12.159   6.654 -19.863
  505    HB2  DAL   5           HB2      DAL   5 -13.049   5.371 -19.062
  506    HB3  DAL   5           HB3      DAL   5 -11.373   5.101 -19.566
  507    H1   ALA   1           HN       ALA   1  15.701   7.397  -2.669
  508    HA   ALA   1           HA       ALA   1  17.715   7.182  -0.749
  509    HB1  ALA   1           HB1      ALA   1  16.514   5.143  -0.057
  510    HB2  ALA   1           HB2      ALA   1  18.158   4.804  -0.616
  511    HB3  ALA   1           HB3      ALA   1  16.776   4.470  -1.665
  512    H    DGL   2           HN       DGL   2  19.012   4.731  -2.128
  513    HA   DGL   2           HA       DGL   2  19.652   4.194  -4.190
  514    HB2  DGL   2           HB1      DGL   2  21.142   6.314  -5.234
  515    HB3  DGL   2           HB2      DGL   2  21.718   5.630  -3.717
  516    HG2  DGL   2           HG1      DGL   2  21.241   7.574  -2.533
  517    HG3  DGL   2           HG2      DGL   2  19.713   7.872  -3.349
  518    H    LYS   3           HN       LYS   3  20.826   7.905  -6.006
  519    HA   LYS   3           HA       LYS   3  21.665   9.214  -7.521
  520    HB2  LYS   3           HB2      LYS   3  20.148  10.731  -5.949
  521    HB3  LYS   3           HB1      LYS   3  21.626  11.707  -5.969
  522    HG2  LYS   3           HG2      LYS   3  20.454  10.521  -8.484
  523    HG3  LYS   3           HG1      LYS   3  19.879  12.046  -7.843
  524    HD2  LYS   3           HD2      LYS   3  21.426  13.086  -9.116
  525    HD3  LYS   3           HD1      LYS   3  22.523  12.522  -7.900
  526    HE2  LYS   3           HE1      LYS   3  22.081  10.590 -10.100
  527    HE3  LYS   3           HE2      LYS   3  23.028  12.228 -10.394
  528    HZ1  LYS   3           HZ1      LYS   3  24.897  11.199 -10.142
  529    HZ2  LYS   3           HZ2      LYS   3  24.092   9.717  -9.840
  530    HZ3  LYS   3           HZ3      LYS   3  24.426  10.783  -8.571
  531    H    DAL   4           HN       DAL   4  23.284   7.899  -5.661
  532    HA   DAL   4           HA       DAL   4  25.685   7.068  -5.433
  533    HB1  DAL   4           HB1      DAL   4  25.825   8.474  -3.623
  534    HB2  DAL   4           HB2      DAL   4  26.522   9.728  -4.636
  535    HB3  DAL   4           HB3      DAL   4  27.365   8.166  -4.458
  536    H    DAL   5           HN       DAL   5  24.919   6.284  -7.675
  537    HA   DAL   5           HA       DAL   5  25.311   5.753 -10.235
  538    HB1  DAL   5           HB1      DAL   5  27.567   5.813  -8.872
  539    HB2  DAL   5           HB2      DAL   5  27.637   7.544  -9.154
  540    HB3  DAL   5           HB3      DAL   5  27.775   6.420 -10.517
  541    H12  P1W 103           H12      TPL  10 -11.875  -3.557   1.909
  542    H11  P1W 103           H11      TPL  10 -13.401  -4.312   1.459
  543    H2   P1W 103           H2       TPL  10 -11.108  -5.866   0.454
  544    H43  P1W 103           H42      TPL  10 -10.900  -5.833  -2.011
  545    H42  P1W 103           H41      TPL  10 -11.536  -4.456  -2.900
  546    H51  P1W 103           H51      TPL  10 -12.874  -2.664  -0.095
  547    H52  P1W 103           H52      TPL  10 -12.567  -2.634  -1.832
  548    H53  P1W 103           H53      TPL  10 -11.312  -2.113  -0.703
  549    H12  P1W 104           H12      TPL  11  -9.476  -3.201  -1.923
  550    H11  P1W 104           H11      TPL  11  -8.826  -4.821  -1.688
  551    H2   P1W 104           H2       TPL  11  -8.949  -5.280  -4.090
  552    H43  P1W 104           H42      TPL  11  -9.203  -4.288  -6.425
  553    H42  P1W 104           H41      TPL  11  -9.453  -2.547  -6.571
  554    H51  P1W 104           H51      TPL  11 -10.329  -1.434  -4.991
  555    H52  P1W 104           H52      TPL  11  -9.063  -1.282  -3.773
  556    H53  P1W 104           H53      TPL  11 -10.599  -2.044  -3.360
  557    H12  P1W 105           H12      TPL  11   8.532  -3.863  -6.767
  558    H11  P1W 105           H11      TPL  11   8.593  -2.219  -6.128
  559    H2   P1W 105           H2       TPL  11   8.574  -2.920  -8.885
  560    H43  P1W 105           H42      TPL  11   8.944  -1.082 -10.467
  561    H42  P1W 105           H41      TPL  11   9.549   0.457  -9.845
  562    H51  P1W 105           H51      TPL  11   9.734  -0.445  -6.444
  563    H52  P1W 105           H52      TPL  11   9.882   0.820  -7.664
  564    H53  P1W 105           H53      TPL  11  11.240  -0.259  -7.344
  565    H12  P1W 106           H12      TPL  12  -6.890  -3.677  -5.471
  566    H11  P1W 106           H11      TPL  12  -7.141  -3.486  -7.205
  567    H2   P1W 106           H2       TPL  12  -7.010  -1.292  -5.114
  568    H43  P1W 106           H43      TPL  12  -5.393   0.744  -6.920
  569    H41  P1W 106           H41      TPL  12  -6.928   1.022  -6.088
  570    H42  P1W 106           H42      TPL  12  -6.828   1.202  -7.840
  571    H51  P1W 106           H51      TPL  12  -7.888  -1.738  -8.798
  572    H52  P1W 106           H52      TPL  12  -6.145  -2.002  -8.823
  573    H53  P1W 106           H53      TPL  12  -6.804  -0.429  -9.280
  574    H12  P1W 107           H12      TPL  12  11.749  -0.088 -10.246
  575    H11  P1W 107           H11      TPL  12  11.465  -1.819 -10.079
  576    H2   P1W 107           H2       TPL  12  11.214  -2.009 -12.357
  577    H43  P1W 107           H43      TPL  12  11.609  -0.582 -14.730
  578    H41  P1W 107           H41      TPL  12  10.439   0.737 -14.841
  579    H42  P1W 107           H42      TPL  12   9.883  -0.918 -14.588
  580    H51  P1W 107           H51      TPL  12   9.492   1.583 -12.158
  581    H52  P1W 107           H52      TPL  12  10.827   2.094 -13.192
  582    H53  P1W 107           H53      TPL  12  11.137   1.634 -11.516
  583    H12  P1W 103           H12      TPL  10  12.562  -4.455  -2.366
  584    H11  P1W 103           H11      TPL  10  10.808  -4.607  -2.274
  585    H2   P1W 103           H2       TPL  10  12.485  -3.832  -4.621
  586    H43  P1W 103           H42      TPL  10  11.040  -2.298  -6.164
  587    H42  P1W 103           H41      TPL  10  10.986  -3.910  -6.872
  588    H51  P1W 103           H51      TPL  10   8.506  -3.022  -4.240
  589    H52  P1W 103           H52      TPL  10   9.069  -4.359  -3.238
  590    H53  P1W 103           H53      TPL  10   8.427  -4.678  -4.851
  591    H12  P1W 103           H12      TPL  10  -8.001   7.160  -3.016
  592    H11  P1W 103           H11      TPL  10  -9.150   8.024  -4.030
  593    H2   P1W 103           H2       TPL  10  -8.982   4.987  -4.096
  594    H43  P1W 103           H42      TPL  10  -7.683   4.686  -7.194
  595    H42  P1W 103           H41      TPL  10  -8.811   3.955  -6.049
  596    H51  P1W 103           H51      TPL  10  -7.573   7.075  -7.446
  597    H52  P1W 103           H52      TPL  10  -7.551   7.941  -5.908
  598    H53  P1W 103           H53      TPL  10  -9.030   7.895  -6.871
  599    H12  P1W 103           H12      TPL  10   6.956  -0.044  -3.450
  600    H11  P1W 103           H11      TPL  10   8.238  -1.113  -4.025
  601    H2   P1W 103           H2       TPL  10   7.987   1.082  -5.867
  602    H43  P1W 103           H42      TPL  10   5.393   0.630  -7.683
  603    H42  P1W 103           H41      TPL  10   7.122   0.792  -7.965
  604    H51  P1W 103           H51      TPL  10   4.951  -1.499  -5.436
  605    H52  P1W 103           H52      TPL  10   6.492  -2.345  -5.325
  606    H53  P1W 103           H53      TPL  10   5.630  -2.283  -6.863
  607    H12  P1W 104           H12      TPL  11 -10.476   4.153  -7.490
  608    H11  P1W 104           H11      TPL  11 -10.201   5.892  -7.642
  609    H2   P1W 104           H2       TPL  11  -8.476   5.461  -9.397
  610    H43  P1W 104           H42      TPL  11  -9.301   2.750 -11.701
  611    H42  P1W 104           H41      TPL  11  -8.320   4.209 -11.542
  612    H51  P1W 104           H51      TPL  11  -9.569   1.400  -9.703
  613    H52  P1W 104           H52      TPL  11 -10.911   2.386  -9.117
  614    H53  P1W 104           H53      TPL  11  -9.497   2.119  -8.096
  615    H12  P1W 105           H12      TPL  11   6.796  -0.655  -9.630
  616    H11  P1W 105           H11      TPL  11   6.735  -1.882  -8.370
  617    H2   P1W 105           H2       TPL  11   4.286  -0.484  -9.552
  618    H43  P1W 105           H42      TPL  11   2.463  -3.469  -8.820
  619    H42  P1W 105           H41      TPL  11   2.373  -1.945  -9.704
  620    H51  P1W 105           H51      TPL  11   5.067  -4.053  -7.852
  621    H52  P1W 105           H52      TPL  11   6.216  -3.610  -9.116
  622    H53  P1W 105           H53      TPL  11   4.834  -4.636  -9.500
  623    H12  P1W 106           H12      TPL  12  -6.535   2.966 -10.504
  624    H11  P1W 106           H11      TPL  12  -7.533   1.515 -10.408
  625    H2   P1W 106           H2       TPL  12  -7.624   1.557 -12.975
  626    H43  P1W 106           H43      TPL  12  -4.340   2.193 -14.544
  627    H41  P1W 106           H41      TPL  12  -6.009   1.720 -14.876
  628    H42  P1W 106           H42      TPL  12  -4.880   0.549 -14.192
  629    H51  P1W 106           H51      TPL  12  -3.485   2.120 -12.338
  630    H52  P1W 106           H52      TPL  12  -4.535   2.089 -10.922
  631    H53  P1W 106           H53      TPL  12  -4.389   3.566 -11.877
  632    H12  P1W 107           H12      TPL  12   2.330  -3.047 -11.644
  633    H11  P1W 107           H11      TPL  12   3.872  -3.814 -11.265
  634    H2   P1W 107           H2       TPL  12   2.505  -5.541  -9.900
  635    H43  P1W 107           H43      TPL  12  -0.503  -6.687 -11.184
  636    H41  P1W 107           H41      TPL  12   1.003  -7.310 -10.501
  637    H42  P1W 107           H42      TPL  12   0.703  -7.433 -12.235
  638    H51  P1W 107           H51      TPL  12  -0.114  -5.250 -13.232
  639    H52  P1W 107           H52      TPL  12   1.515  -4.644 -13.527
  640    H53  P1W 107           H53      TPL  12   0.398  -3.713 -12.526
  641    H1   MUB 101           H1       NAM   6 -13.984  -8.409   2.487
  642    H2   MUB 101           H2       NAM   6 -12.710  -9.930   1.532
  643    HN2  MUB 101           HN2      NAM   6 -10.652  -9.154   0.909
  644    H81  MUB 101           H81      NAM   6  -9.256  -8.947  -1.226
  645    H82  MUB 101           H82      NAM   6  -9.324  -7.317  -0.563
  646    H83  MUB 101           H83      NAM   6  -9.814  -7.580  -2.232
  647    H3   MUB 101           H3       NAM   6 -13.437  -8.571  -1.215
  648    H9   MUB 101           H9       NAM   6 -13.869 -10.930   0.761
  649   H111  MUB 101          H111      NAM   6 -11.596 -12.562  -0.468
  650   H112  MUB 101          H112      NAM   6 -12.313 -12.963   1.063
  651   H113  MUB 101          H113      NAM   6 -11.603 -11.394   0.930
  652    H4A  MUB 101           H4       NAM   6 -15.574  -9.791   0.618
  653    H5   MUB 101           H5       NAM   6 -15.729  -6.905  -0.262
  654    H61  MUB 101           H61      NAM   6 -17.344  -7.669   1.189
  655    H62  MUB 101           H62      NAM   6 -16.413  -6.476   2.153
  656    HO6  MUB 101           HO6      NAM   6 -16.938  -9.068   2.712
  657    H1   NAG 102           H1       NAG   7 -14.720  -9.165  -2.553
  658    H2   NAG 102           H2       NAG   7 -17.754  -8.847  -3.159
  659    H3   NAG 102           H3       NAG   7 -15.360  -9.022  -5.082
  660    H4   NAG 102           H4       NAG   7 -17.100  -6.615  -4.660
  661    H5   NAG 102           H5       NAG   7 -14.115  -7.069  -3.615
  662    H61  NAG 102           H61      NAG   7 -15.948  -4.706  -3.347
  663    H62  NAG 102           H62      NAG   7 -14.322  -4.824  -4.001
  664    H81  NAG 102           H81      NAG   7 -16.825 -13.098  -4.548
  665    H82  NAG 102           H82      NAG   7 -16.594 -13.214  -2.809
  666    H83  NAG 102           H83      NAG   7 -15.202 -13.413  -3.866
  667    HN2  NAG 102           HN2      NAG   7 -17.789 -10.943  -3.250
  668    HO3  NAG 102           HO3      NAG   7 -17.320  -9.774  -5.841
  669    HO4  NAG 102           HO4      NAG   7 -15.969  -6.942  -6.572
  670    HO6  NAG 102           HO6      NAG   7 -14.455  -5.784  -1.469
  671    H1   MUB 101           H1       NAM   6  10.768  -7.593  -7.141
  672    H2   MUB 101           H2       NAM   6  12.262  -9.076  -7.791
  673    HN2  MUB 101           HN2      NAM   6  13.492  -9.906  -6.130
  674    H81  MUB 101           H81      NAM   6  16.114 -10.069  -5.523
  675    H82  MUB 101           H82      NAM   6  15.168  -9.439  -4.181
  676    H83  MUB 101           H83      NAM   6  16.549  -8.512  -4.761
  677    H3   MUB 101           H3       NAM   6  14.420  -6.768  -7.633
  678    H9   MUB 101           H9       NAM   6  13.106  -8.870  -9.557
  679   H111  MUB 101          H111      NAM   6  14.931 -10.917  -8.267
  680   H112  MUB 101          H112      NAM   6  13.679 -11.428  -9.359
  681   H113  MUB 101          H113      NAM   6  13.180 -10.516  -7.984
  682    H4A  MUB 101           H4       NAM   6  12.374  -7.101  -9.895
  683    H5   MUB 101           H5       NAM   6  12.339  -4.587  -8.310
  684    H61  MUB 101           H61      NAM   6  10.565  -5.206  -9.723
  685    H62  MUB 101           H62      NAM   6   9.889  -4.949  -8.069
  686    HO6  MUB 101           HO6      NAM   6   9.739  -7.138  -9.682
  687    H1   NAG 102           H1       NAG   7  15.419  -6.032  -9.046
  688    H2   NAG 102           H2       NAG   7  15.125  -3.819 -11.205
  689    H3   NAG 102           H3       NAG   7  17.601  -4.608  -9.601
  690    H4   NAG 102           H4       NAG   7  16.101  -2.022  -9.352
  691    H5   NAG 102           H5       NAG   7  16.165  -4.460  -7.287
  692    H61  NAG 102           H61      NAG   7  14.615  -1.869  -7.090
  693    H62  NAG 102           H62      NAG   7  16.004  -2.395  -6.152
  694    H81  NAG 102           H81      NAG   7  17.671  -7.010 -13.202
  695    H82  NAG 102           H82      NAG   7  16.142  -7.846 -12.959
  696    H83  NAG 102           H83      NAG   7  17.561  -8.394 -12.075
  697    HN2  NAG 102           HN2      NAG   7  15.636  -5.350 -12.518
  698    HO3  NAG 102           HO3      NAG   7  17.645  -3.687 -11.777
  699    HO4  NAG 102           HO4      NAG   7  18.294  -2.192  -8.872
  700    HO6  NAG 102           HO6      NAG   7  13.681  -3.982  -6.448
  701    H1   MUB 101           H1       NAM   6 -11.812  10.720  -6.190
  702    H2   MUB 101           H2       NAM   6 -13.287  12.218  -5.460
  703    HN2  MUB 101           HN2      NAM   6 -14.133  11.795  -3.438
  704    H81  MUB 101           H81      NAM   6 -16.940   9.663  -2.636
  705    H82  MUB 101           H82      NAM   6 -16.698  11.398  -2.467
  706    H83  MUB 101           H83      NAM   6 -15.440  10.304  -1.910
  707    H3   MUB 101           H3       NAM   6 -15.525  10.156  -6.289
  708    H9   MUB 101           H9       NAM   6 -14.268  12.990  -6.697
  709   H111  MUB 101          H111      NAM   6 -16.035  13.761  -4.358
  710   H112  MUB 101          H112      NAM   6 -14.806  14.853  -4.923
  711   H113  MUB 101          H113      NAM   6 -14.282  13.283  -4.435
  712    H4A  MUB 101           H4       NAM   6 -13.835  11.561  -8.403
  713    H5   MUB 101           H5       NAM   6 -13.777   8.594  -8.263
  714    H61  MUB 101           H61      NAM   6 -12.241   9.795  -9.557
  715    H62  MUB 101           H62      NAM   6 -11.293   8.789  -8.400
  716    HO6  MUB 101           HO6      NAM   6 -10.912  11.306  -8.759
  717    H1   NAG 102           H1       NAG   7 -16.861  10.317  -7.620
  718    H2   NAG 102           H2       NAG   7 -16.994   9.030 -10.459
  719    H3   NAG 102           H3       NAG   7 -19.110   9.264  -8.270
  720    H4   NAG 102           H4       NAG   7 -17.833   6.724  -9.220
  721    H5   NAG 102           H5       NAG   7 -17.355   8.219  -6.438
  722    H61  NAG 102           H61      NAG   7 -15.996   5.743  -7.522
  723    H62  NAG 102           H62      NAG   7 -17.162   5.874  -6.210
  724    H81  NAG 102           H81      NAG   7 -17.846  13.438 -10.561
  725    H82  NAG 102           H82      NAG   7 -19.056  13.722  -9.317
  726    H83  NAG 102           H83      NAG   7 -19.509  12.810 -10.753
  727    HN2  NAG 102           HN2      NAG   7 -17.613  10.907 -11.081
  728    HO3  NAG 102           HO3      NAG   7 -19.675   9.213 -10.496
  729    HO4  NAG 102           HO4      NAG   7 -19.898   6.737  -8.327
  730    HO6  NAG 102           HO6      NAG   7 -14.904   7.532  -6.236
  731    H1   MUB 101           H1       NAM   6  13.104   4.282  -3.304
  732    H2   MUB 101           H2       NAM   6  11.940   5.849  -2.058
  733    HN2  MUB 101           HN2      NAM   6   9.898   6.427  -2.725
  734    H81  MUB 101           H81      NAM   6   8.695   8.506  -3.694
  735    H82  MUB 101           H82      NAM   6   8.358   7.130  -4.737
  736    H83  MUB 101           H83      NAM   6   9.005   8.603  -5.453
  737    H3   MUB 101           H3       NAM   6  12.626   7.753  -4.417
  738    H9   MUB 101           H9       NAM   6  13.484   6.513  -1.713
  739   H111  MUB 101          H111      NAM   6  11.955   8.580  -0.072
  740   H112  MUB 101          H112      NAM   6  12.610   7.135   0.635
  741   H113  MUB 101          H113      NAM   6  11.472   6.922  -0.646
  742    H4A  MUB 101           H4       NAM   6  14.767   5.906  -3.222
  743    H5   MUB 101           H5       NAM   6  13.935   6.063  -6.183
  744    H61  MUB 101           H61      NAM   6  15.581   4.677  -6.380
  745    H62  MUB 101           H62      NAM   6  14.488   3.419  -5.665
  746    HO6  MUB 101           HO6      NAM   6  16.713   4.873  -4.593
  747    H1   NAG 102           H1       NAG   7  14.252   8.981  -4.677
  748    H2   NAG 102           H2       NAG   7  17.123   8.606  -5.869
  749    H3   NAG 102           H3       NAG   7  15.299  11.041  -6.008
  750    H4   NAG 102           H4       NAG   7  16.072   9.313  -8.336
  751    H5   NAG 102           H5       NAG   7  13.232   9.442  -6.876
  752    H61  NAG 102           H61      NAG   7  14.108   7.631  -9.127
  753    H62  NAG 102           H62      NAG   7  13.023   9.008  -9.204
  754    H81  NAG 102           H81      NAG   7  16.255  11.565  -1.639
  755    H82  NAG 102           H82      NAG   7  17.813  11.475  -2.450
  756    H83  NAG 102           H83      NAG   7  17.205  10.052  -1.611
  757    HN2  NAG 102           HN2      NAG   7  17.749   9.279  -4.026
  758    HO3  NAG 102           HO3      NAG   7  17.687  11.041  -6.047
  759    HO4  NAG 102           HO4      NAG   7  15.516  11.452  -8.626
  760    HO6  NAG 102           HO6      NAG   7  12.307   7.381  -7.196
  Start of MODEL    6
    1    H    ZAE   1           HN1      DPH   1   7.512 -17.472  -1.748
    2    HA   ZAE   1           HA       DPH   1   7.691 -16.077  -3.706
    3    HB2  ZAE   1           HB1      DPH   1   9.350 -14.590  -1.737
    4    HB3  ZAE   1           HB2      DPH   1   9.554 -16.338  -1.791
    5    HD1  ZAE   1           HD1      DPH   1  10.274 -17.429  -3.913
    6    HD2  ZAE   1           HD2      DPH   1  10.221 -13.195  -3.455
    7    HE1  ZAE   1           HE1      DPH   1  11.770 -17.200  -5.855
    8    HE2  ZAE   1           HE2      DPH   1  11.714 -12.962  -5.397
    9    HZ   ZAE   1           HZ       DPH   1  12.492 -14.965  -6.597
   10    H11  ZAE   1          HN11      DPH   1   6.572 -15.049  -0.364
   11    H12  ZAE   1          HN12      DPH   1   8.088 -15.896  -0.052
   12    H13  ZAE   1          HN13      DPH   1   6.548 -16.691   0.280
   13    HN2  ZAE   1           HN2      DPH   1   6.055 -16.677  -2.081
   14    H    ILE   2           HN       ILE   2   5.394 -15.050  -3.460
   15    HA   ILE   2           HA       ILE   2   5.844 -12.158  -3.369
   16    HB   ILE   2           HB       ILE   2   4.529 -13.784  -5.246
   17   HG12  ILE   2          HG12      ILE   2   4.334 -10.787  -4.876
   18   HG13  ILE   2          HG11      ILE   2   5.632 -11.636  -5.704
   19   HG21  ILE   2          HG21      ILE   2   2.199 -12.986  -5.246
   20   HG22  ILE   2          HG22      ILE   2   2.488 -12.183  -3.701
   21   HG23  ILE   2          HG23      ILE   2   2.580 -13.939  -3.811
   22   HD11  ILE   2          HD11      ILE   2   4.142 -12.338  -7.432
   23   HD12  ILE   2          HD12      ILE   2   4.014 -10.594  -7.214
   24   HD13  ILE   2          HD13      ILE   2   2.759 -11.655  -6.574
   25    H    SER   3           HN       SER   3   4.630 -10.838  -2.057
   26    HA   SER   3           HA       SER   3   2.380 -11.897  -0.592
   27    HB2  SER   3           HB2      SER   3   4.750 -10.809   0.933
   28    HB3  SER   3           HB1      SER   3   3.191 -11.230   1.627
   29    HG   SER   3           HG       SER   3   4.178 -13.307   0.232
   30    H    DAR   4           HN       DAR   4   1.414 -10.160   0.817
   31    HA   DAR   4           HA       DAR   4   1.455  -7.657  -0.723
   32    HB2  DAR   4           HB1      DAR   4   1.856  -8.125   2.145
   33    HB3  DAR   4           HB2      DAR   4   0.720  -6.839   1.750
   34    HG2  DAR   4           HG1      DAR   4   2.498  -5.927   0.218
   35    HG3  DAR   4           HG2      DAR   4   3.602  -7.072   0.986
   36    HD2  DAR   4           HD1      DAR   4   1.929  -5.237   2.644
   37    HD3  DAR   4           HD2      DAR   4   3.425  -4.654   1.910
   38    HE   DAR   4           HE       DAR   4   3.741  -7.119   3.317
   39   HH11  DAR   4          HH21      DAR   4   5.266  -5.621   6.094
   40   HH12  DAR   4          HH22      DAR   4   4.911  -7.172   5.258
   41   HH21  DAR   4          HH11      DAR   4   4.530  -3.633   5.197
   42   HH22  DAR   4          HH12      DAR   4   3.675  -3.622   3.615
   43    HA   28J   5           HA       28J   5  -2.822  -7.942   0.185
   44    H22  28J   5           HB       28J   5  -4.021  -7.923  -2.193
   45    H23  28J   5          HG21      28J   5  -1.139  -8.559  -2.838
   46    H24  28J   5          HG22      28J   5  -2.045  -7.165  -3.423
   47    H25  28J   5          HG23      28J   5  -2.505  -8.791  -3.928
   48    H26  28J   5          HG11      28J   5  -2.297 -10.099  -0.996
   49    H27  28J   5          HG12      28J   5  -3.289 -10.374  -2.423
   50    H28  28J   5          HD11      28J   5  -5.287  -9.771  -1.150
   51    H29  28J   5          HD12      28J   5  -4.290  -9.543   0.287
   52    H30  28J   5          HD13      28J   5  -4.430 -11.142  -0.444
   53    H    ILE   6           HN       ILE   6  -4.735  -6.726   0.123
   54    HA   ILE   6           HA       ILE   6  -4.340  -3.838  -0.223
   55    HB   ILE   6           HB       ILE   6  -5.422  -4.302  -2.227
   56   HG12  ILE   6          HG12      ILE   6  -7.608  -3.681  -0.227
   57   HG13  ILE   6          HG11      ILE   6  -6.634  -2.525  -1.124
   58   HG21  ILE   6          HG21      ILE   6  -7.191  -6.282  -0.780
   59   HG22  ILE   6          HG22      ILE   6  -5.897  -6.649  -1.922
   60   HG23  ILE   6          HG23      ILE   6  -7.357  -5.831  -2.477
   61   HD11  ILE   6          HD11      ILE   6  -8.588  -4.442  -2.331
   62   HD12  ILE   6          HD12      ILE   6  -7.682  -3.180  -3.166
   63   HD13  ILE   6          HD13      ILE   6  -8.903  -2.745  -1.967
   64    H    SER   7           HN       SER   7  -4.960  -2.726   1.549
   65    HA   SER   7           HA       SER   7  -7.387  -3.406   3.023
   66    HB2  SER   7           HB2      SER   7  -4.789  -3.219   4.561
   67    HB3  SER   7           HB1      SER   7  -6.381  -3.691   5.168
   68    HG   SER   7           HG       SER   7  -6.037  -5.395   3.367
   69    H    DTH   8           HN       DTC   8  -7.737  -1.773   4.834
   70    HA   DTH   8           HA       DTC   8  -6.971   0.893   3.885
   71    HB   DTH   8           HB       DTC   8  -6.381   1.753   6.102
   72   HG21  DTH   8          HG21      DTC   8  -4.560   0.858   4.748
   73   HG22  DTH   8          HG22      DTC   8  -4.809  -0.753   5.423
   74   HG23  DTH   8          HG23      DTC   8  -4.257   0.566   6.458
   75    H    ALA   9           HN       ALA   9  -9.337  -1.155   5.354
   76    HA   ALA   9           HA       ALA   9 -10.998   0.919   5.929
   77    HB1  ALA   9           HB1      ALA   9 -12.653  -0.806   5.880
   78    HB2  ALA   9           HB2      ALA   9 -11.444  -2.051   6.118
   79    HB3  ALA   9           HB3      ALA   9 -11.508  -1.177   4.589
   80    H    LEU  10           HN       LEU  10 -10.596  -2.077   7.672
   81    HA   LEU  10           HA       LEU  10 -10.955  -1.258  10.263
   82    HB2  LEU  10           HB2      LEU  10 -10.282  -3.368  10.870
   83    HB3  LEU  10           HB1      LEU  10 -10.551  -3.613   9.158
   84    HG   LEU  10           HG       LEU  10  -7.865  -2.823   9.418
   85   HD11  LEU  10          HD11      LEU  10  -8.113  -3.303  11.784
   86   HD12  LEU  10          HD12      LEU  10  -7.017  -4.440  11.000
   87   HD13  LEU  10          HD13      LEU  10  -8.663  -4.931  11.395
   88   HD21  LEU  10          HD21      LEU  10  -7.558  -5.366   8.918
   89   HD22  LEU  10          HD22      LEU  10  -8.312  -4.326   7.711
   90   HD23  LEU  10          HD23      LEU  10  -9.307  -5.354   8.740
   91    H    ILE  11           HN       ILE  11  -8.142  -1.150   8.381
   92    HA   ILE  11           HA       ILE  11  -6.706   0.429  10.373
   93    HB   ILE  11           HB       ILE  11  -4.576  -0.931  10.099
   94   HG12  ILE  11          HG12      ILE  11  -6.055  -3.425   9.630
   95   HG13  ILE  11          HG11      ILE  11  -6.003  -2.371   8.224
   96   HG21  ILE  11          HG21      ILE  11  -6.946  -1.728  11.675
   97   HG22  ILE  11          HG22      ILE  11  -5.339  -1.233  12.209
   98   HG23  ILE  11          HG23      ILE  11  -5.607  -2.873  11.619
   99   HD11  ILE  11          HD11      ILE  11  -3.605  -3.367   9.760
  100   HD12  ILE  11          HD12      ILE  11  -3.564  -2.343   8.325
  101   HD13  ILE  11          HD13      ILE  11  -4.178  -3.992   8.214
  102    H    ZAE   1           HN1      DPH   1  -8.159   5.480   3.266
  103    HA   ZAE   1           HA       DPH   1  -8.949   4.309   1.362
  104    HB2  ZAE   1           HB1      DPH   1  -9.132   2.446   3.692
  105    HB3  ZAE   1           HB2      DPH   1  -9.841   4.055   3.750
  106    HD1  ZAE   1           HD1      DPH   1 -10.928   4.456   1.177
  107    HD2  ZAE   1           HD2      DPH   1 -10.854   0.894   3.497
  108    HE1  ZAE   1           HE1      DPH   1 -12.964   3.701   0.078
  109    HE2  ZAE   1           HE2      DPH   1 -12.907   0.120   2.350
  110    HZ   ZAE   1           HZ       DPH   1 -13.961   1.551   0.643
  111    H11  ZAE   1          HN11      DPH   1  -6.398   3.159   3.682
  112    H12  ZAE   1          HN12      DPH   1  -7.725   3.660   4.734
  113    H13  ZAE   1          HN13      DPH   1  -6.300   4.686   4.564
  114    HN2  ZAE   1           HN2      DPH   1  -6.867   5.077   2.245
  115    H    ILE   2           HN       ILE   2  -7.491   3.536  -0.223
  116    HA   ILE   2           HA       ILE   2  -7.135   0.655  -0.037
  117    HB   ILE   2           HB       ILE   2  -7.132   2.591  -2.258
  118   HG12  ILE   2          HG12      ILE   2  -8.114  -0.099  -1.571
  119   HG13  ILE   2          HG11      ILE   2  -8.892   1.181  -2.499
  120   HG21  ILE   2          HG21      ILE   2  -5.723   1.115  -3.720
  121   HG22  ILE   2          HG22      ILE   2  -5.208   0.255  -2.266
  122   HG23  ILE   2          HG23      ILE   2  -4.813   1.955  -2.466
  123   HD11  ILE   2          HD11      ILE   2  -8.558  -0.087  -4.264
  124   HD12  ILE   2          HD12      ILE   2  -7.431  -1.135  -3.401
  125   HD13  ILE   2          HD13      ILE   2  -6.856   0.360  -4.140
  126    H    SER   3           HN       SER   3  -5.459  -0.294   0.656
  127    HA   SER   3           HA       SER   3  -2.817   0.811   0.180
  128    HB2  SER   3           HB2      SER   3  -3.712  -0.116   2.904
  129    HB3  SER   3           HB1      SER   3  -2.081   0.384   2.460
  130    HG   SER   3           HG       SER   3  -3.797   2.317   1.773
  131    H    DAR   4           HN       DAR   4  -1.160  -0.701   0.631
  132    HA   DAR   4           HA       DAR   4  -1.925  -3.378  -0.226
  133    HB2  DAR   4           HB1      DAR   4  -0.829  -2.731   2.447
  134    HB3  DAR   4           HB2      DAR   4  -0.094  -4.090   1.618
  135    HG2  DAR   4           HG1      DAR   4  -2.602  -4.831   1.310
  136    HG3  DAR   4           HG2      DAR   4  -2.829  -3.788   2.714
  137    HD2  DAR   4           HD1      DAR   4  -0.559  -5.632   2.904
  138    HD3  DAR   4           HD2      DAR   4  -2.142  -6.405   2.848
  139    HE   DAR   4           HE       DAR   4  -1.807  -4.224   4.741
  140   HH11  DAR   4          HH21      DAR   4  -2.352  -6.420   7.437
  141   HH12  DAR   4          HH22      DAR   4  -2.173  -4.700   6.944
  142   HH21  DAR   4          HH11      DAR   4  -2.216  -8.093   5.868
  143   HH22  DAR   4          HH12      DAR   4  -1.944  -7.683   4.138
  144    HA   28J   5           HA       28J   5   2.378  -3.119  -1.304
  145    H22  28J   5           HB       28J   5   2.252  -3.290  -3.930
  146    H23  28J   5          HG21      28J   5  -0.647  -2.888  -3.183
  147    H24  28J   5          HG22      28J   5   0.019  -4.295  -4.013
  148    H25  28J   5          HG23      28J   5   0.035  -2.716  -4.799
  149    H26  28J   5          HG11      28J   5   2.362  -1.247  -2.259
  150    H27  28J   5          HG12      28J   5   0.698  -1.010  -2.783
  151    H28  28J   5          HD11      28J   5   1.404  -0.786  -5.075
  152    H29  28J   5          HD12      28J   5   3.074  -1.130  -4.623
  153    H30  28J   5          HD13      28J   5   2.292   0.344  -4.054
  154    H    ILE   6           HN       ILE   6   4.122  -4.324  -1.983
  155    HA   ILE   6           HA       ILE   6   3.665  -7.208  -2.336
  156    HB   ILE   6           HB       ILE   6   3.766  -6.685  -4.582
  157   HG12  ILE   6          HG12      ILE   6   6.577  -7.315  -3.702
  158   HG13  ILE   6          HG11      ILE   6   5.353  -8.432  -4.281
  159   HG21  ILE   6          HG21      ILE   6   5.329  -5.114  -5.659
  160   HG22  ILE   6          HG22      ILE   6   5.985  -4.686  -4.079
  161   HG23  ILE   6          HG23      ILE   6   4.304  -4.316  -4.466
  162   HD11  ILE   6          HD11      ILE   6   5.585  -7.578  -6.497
  163   HD12  ILE   6          HD12      ILE   6   7.167  -8.030  -5.860
  164   HD13  ILE   6          HD13      ILE   6   6.693  -6.330  -5.927
  165    H    SER   7           HN       SER   7   5.179  -8.542  -1.476
  166    HA   SER   7           HA       SER   7   7.877  -7.669  -0.923
  167    HB2  SER   7           HB2      SER   7   7.552  -8.135   1.585
  168    HB3  SER   7           HB1      SER   7   6.921  -6.602   0.971
  169    HG   SER   7           HG       SER   7   5.304  -8.882   1.019
  170    H    DTH   8           HN       DTC   8   9.281  -9.384  -0.239
  171    HA   DTH   8           HA       DTC   8   8.142 -12.102  -0.475
  172    HB   DTH   8           HB       DTC   8   9.321 -12.927   1.556
  173   HG21  DTH   8          HG21      DTC   8   6.997 -12.128   1.784
  174   HG22  DTH   8          HG22      DTC   8   7.577 -10.500   2.143
  175   HG23  DTH   8          HG23      DTC   8   7.926 -11.828   3.250
  176    H    ALA   9           HN       ALA   9  11.057 -10.069  -0.208
  177    HA   ALA   9           HA       ALA   9  12.707 -11.846  -1.729
  178    HB1  ALA   9           HB1      ALA   9  13.366  -9.891  -2.787
  179    HB2  ALA   9           HB2      ALA   9  13.224  -8.905  -1.349
  180    HB3  ALA   9           HB3      ALA   9  11.777  -9.325  -2.271
  181    H    LEU  10           HN       LEU  10  13.587  -9.057   0.228
  182    HA   LEU  10           HA       LEU  10  15.476 -10.360   1.900
  183    HB2  LEU  10           HB2      LEU  10  15.007  -8.147   3.305
  184    HB3  LEU  10           HB1      LEU  10  15.915  -8.104   1.810
  185    HG   LEU  10           HG       LEU  10  14.309  -6.248   2.019
  186   HD11  LEU  10          HD11      LEU  10  14.302  -6.273  -0.167
  187   HD12  LEU  10          HD12      LEU  10  13.062  -7.524  -0.193
  188   HD13  LEU  10          HD13      LEU  10  14.768  -7.971  -0.127
  189   HD21  LEU  10          HD21      LEU  10  11.904  -6.712   1.749
  190   HD22  LEU  10          HD22      LEU  10  12.544  -7.352   3.265
  191   HD23  LEU  10          HD23      LEU  10  12.255  -8.424   1.916
  192    H    ILE  11           HN       ILE  11  12.128  -9.834   2.132
  193    HA   ILE  11           HA       ILE  11  12.023 -11.189   4.751
  194    HB   ILE  11           HB       ILE  11  10.310  -9.716   5.717
  195   HG12  ILE  11          HG12      ILE  11  10.572  -7.323   4.242
  196   HG13  ILE  11          HG11      ILE  11  10.227  -8.581   3.061
  197   HG21  ILE  11          HG21      ILE  11  13.021  -9.119   5.493
  198   HG22  ILE  11          HG22      ILE  11  11.894  -8.482   6.692
  199   HG23  ILE  11          HG23      ILE  11  12.198  -7.588   5.203
  200   HD11  ILE  11          HD11      ILE  11   8.570  -8.012   5.518
  201   HD12  ILE  11          HD12      ILE  11   8.197  -9.175   4.246
  202   HD13  ILE  11          HD13      ILE  11   8.202  -7.449   3.888
  203    H    ZAE   1           HN1      DPH   1   8.008  -5.742   1.742
  204    HA   ZAE   1           HA       DPH   1   9.225  -3.702   1.172
  205    HB2  ZAE   1           HB1      DPH   1   7.957  -2.705   3.521
  206    HB3  ZAE   1           HB2      DPH   1   8.022  -4.463   3.619
  207    HD1  ZAE   1           HD1      DPH   1  10.322  -5.434   2.741
  208    HD2  ZAE   1           HD2      DPH   1   9.722  -1.608   4.458
  209    HE1  ZAE   1           HE1      DPH   1  12.677  -5.406   3.452
  210    HE2  ZAE   1           HE2      DPH   1  12.080  -1.552   5.178
  211    HZ   ZAE   1           HZ       DPH   1  13.561  -3.469   4.677
  212    H11  ZAE   1          HN11      DPH   1   6.060  -5.633   2.607
  213    H12  ZAE   1          HN12      DPH   1   5.464  -5.047   1.050
  214    H13  ZAE   1          HN13      DPH   1   5.994  -3.897   2.282
  215    HN2  ZAE   1           HN2      DPH   1   7.520  -5.038   0.276
  216    H    ILE   2           HN       ILE   2   6.939  -3.386  -0.504
  217    HA   ILE   2           HA       ILE   2   6.561  -0.543   0.016
  218    HB   ILE   2           HB       ILE   2   7.313  -1.745  -2.262
  219   HG12  ILE   2          HG12      ILE   2   5.600   0.742  -2.231
  220   HG13  ILE   2          HG11      ILE   2   7.264   0.699  -1.657
  221   HG21  ILE   2          HG21      ILE   2   5.441  -1.740  -3.858
  222   HG22  ILE   2          HG22      ILE   2   4.325  -1.449  -2.523
  223   HG23  ILE   2          HG23      ILE   2   5.251  -2.948  -2.587
  224   HD11  ILE   2          HD11      ILE   2   7.269   1.590  -3.838
  225   HD12  ILE   2          HD12      ILE   2   6.260   0.273  -4.441
  226   HD13  ILE   2          HD13      ILE   2   7.921  -0.047  -3.941
  227    H    SER   3           HN       SER   3   4.801   0.256   0.712
  228    HA   SER   3           HA       SER   3   2.290  -0.947  -0.004
  229    HB2  SER   3           HB2      SER   3   2.876  -0.427   2.901
  230    HB3  SER   3           HB1      SER   3   1.385  -1.061   2.220
  231    HG   SER   3           HG       SER   3   3.309  -2.664   1.414
  232    H    DAR   4           HN       DAR   4   0.489   0.384   0.760
  233    HA   DAR   4           HA       DAR   4   1.169   3.202   0.291
  234    HB2  DAR   4           HB1      DAR   4  -0.605   2.087   2.461
  235    HB3  DAR   4           HB2      DAR   4  -0.663   3.764   1.948
  236    HG2  DAR   4           HG1      DAR   4   1.720   3.999   2.585
  237    HG3  DAR   4           HG2      DAR   4   1.665   2.344   3.201
  238    HD2  DAR   4           HD1      DAR   4  -0.012   4.656   4.141
  239    HD3  DAR   4           HD2      DAR   4   1.339   3.924   5.006
  240    HE   DAR   4           HE       DAR   4  -0.801   2.117   4.337
  241   HH11  DAR   4          HH21      DAR   4  -1.748   1.825   7.702
  242   HH12  DAR   4          HH22      DAR   4  -1.943   1.153   6.045
  243   HH21  DAR   4          HH11      DAR   4  -0.350   3.621   8.062
  244   HH22  DAR   4          HH12      DAR   4   0.552   4.342   6.684
  245    HA   28J   5           HA       28J   5  -2.997   2.913  -1.357
  246    H22  28J   5           HB       28J   5  -2.611   3.719  -3.850
  247    H23  28J   5          HG21      28J   5  -0.441   4.722  -3.451
  248    H24  28J   5          HG22      28J   5  -0.278   3.330  -4.524
  249    H25  28J   5          HG23      28J   5   0.175   3.192  -2.825
  250    H26  28J   5          HG11      28J   5  -3.044   1.402  -2.907
  251    H27  28J   5          HG12      28J   5  -1.297   1.201  -2.821
  252    H28  28J   5          HD11      28J   5  -2.314   0.191  -4.823
  253    H29  28J   5          HD12      28J   5  -1.100   1.415  -5.198
  254    H30  28J   5          HD13      28J   5  -2.815   1.800  -5.344
  255    H    ILE   6           HN       ILE   6  -4.800   4.105  -2.012
  256    HA   ILE   6           HA       ILE   6  -4.610   6.966  -1.593
  257    HB   ILE   6           HB       ILE   6  -4.167   7.487  -3.753
  258   HG12  ILE   6          HG12      ILE   6  -7.051   6.802  -4.254
  259   HG13  ILE   6          HG11      ILE   6  -6.556   8.195  -3.302
  260   HG21  ILE   6          HG21      ILE   6  -4.652   6.194  -5.752
  261   HG22  ILE   6          HG22      ILE   6  -5.539   5.007  -4.802
  262   HG23  ILE   6          HG23      ILE   6  -3.799   5.192  -4.578
  263   HD11  ILE   6          HD11      ILE   6  -5.286   8.958  -5.325
  264   HD12  ILE   6          HD12      ILE   6  -7.048   8.966  -5.474
  265   HD13  ILE   6          HD13      ILE   6  -6.101   7.673  -6.213
  266    H    SER   7           HN       SER   7  -6.454   7.829  -0.820
  267    HA   SER   7           HA       SER   7  -9.029   6.859  -1.574
  268    HB2  SER   7           HB2      SER   7  -7.870   5.993   0.998
  269    HB3  SER   7           HB1      SER   7  -9.595   6.278   0.850
  270    HG   SER   7           HG       SER   7  -8.806   4.826  -1.186
  271    H    DTH   8           HN       DTC   8 -10.744   7.911  -0.833
  272    HA   DTH   8           HA       DTC   8 -10.323  10.627   0.075
  273    HB   DTH   8           HB       DTC   8 -11.905  10.529   1.964
  274   HG21  DTH   8          HG21      DTC   8 -10.598   9.066   3.481
  275   HG22  DTH   8          HG22      DTC   8  -9.528   9.983   2.420
  276   HG23  DTH   8          HG23      DTC   8  -9.851   8.283   2.088
  277    H    ALA   9           HN       ALA   9 -12.121   8.351  -1.755
  278    HA   ALA   9           HA       ALA   9 -14.289  10.183  -2.416
  279    HB1  ALA   9           HB1      ALA   9 -13.651   7.401  -3.425
  280    HB2  ALA   9           HB2      ALA   9 -13.572   8.919  -4.301
  281    HB3  ALA   9           HB3      ALA   9 -15.133   8.253  -3.841
  282    H    LEU  10           HN       LEU  10 -14.040   6.851  -1.486
  283    HA   LEU  10           HA       LEU  10 -16.785   6.681  -0.621
  284    HB2  LEU  10           HB2      LEU  10 -14.459   4.789  -0.192
  285    HB3  LEU  10           HB1      LEU  10 -16.118   4.436   0.250
  286    HG   LEU  10           HG       LEU  10 -16.797   4.502  -2.099
  287   HD11  LEU  10          HD11      LEU  10 -15.349   4.927  -3.869
  288   HD12  LEU  10          HD12      LEU  10 -13.922   4.829  -2.837
  289   HD13  LEU  10          HD13      LEU  10 -15.025   6.197  -2.689
  290   HD21  LEU  10          HD21      LEU  10 -14.386   2.788  -2.285
  291   HD22  LEU  10          HD22      LEU  10 -16.067   2.430  -2.663
  292   HD23  LEU  10          HD23      LEU  10 -15.526   2.434  -0.985
  293    H    ILE  11           HN       ILE  11 -13.647   6.629   0.980
  294    HA   ILE  11           HA       ILE  11 -15.047   7.729   3.357
  295    HB   ILE  11           HB       ILE  11 -13.926   6.393   4.915
  296   HG12  ILE  11          HG12      ILE  11 -12.127   5.110   2.873
  297   HG13  ILE  11          HG11      ILE  11 -11.675   6.662   3.568
  298   HG21  ILE  11          HG21      ILE  11 -14.398   4.613   2.528
  299   HG22  ILE  11          HG22      ILE  11 -15.620   5.136   3.688
  300   HG23  ILE  11          HG23      ILE  11 -14.305   4.080   4.206
  301   HD11  ILE  11          HD11      ILE  11 -12.212   5.278   5.814
  302   HD12  ILE  11          HD12      ILE  11 -10.620   5.348   5.061
  303   HD13  ILE  11          HD13      ILE  11 -11.677   3.970   4.759
  304    H    ZAE   1           HN1      DPH   1  -8.975  16.464   2.552
  305    HA   ZAE   1           HA       DPH   1 -10.173  14.923   1.130
  306    HB2  ZAE   1           HB1      DPH   1 -10.131  13.675   3.861
  307    HB3  ZAE   1           HB2      DPH   1 -10.703  15.328   3.651
  308    HD1  ZAE   1           HD1      DPH   1 -12.427  15.564   1.576
  309    HD2  ZAE   1           HD2      DPH   1 -11.734  12.025   3.834
  310    HE1  ZAE   1           HE1      DPH   1 -14.650  14.705   0.930
  311    HE2  ZAE   1           HE2      DPH   1 -13.933  11.168   3.168
  312    HZ   ZAE   1           HZ       DPH   1 -15.395  12.510   1.723
  313    H11  ZAE   1          HN11      DPH   1  -7.152  14.223   3.124
  314    H12  ZAE   1          HN12      DPH   1  -8.288  14.929   4.276
  315    H13  ZAE   1          HN13      DPH   1  -6.960  15.901   3.640
  316    HN2  ZAE   1           HN2      DPH   1  -7.958  15.720   1.424
  317    H    ILE   2           HN       ILE   2  -7.934  14.042   0.131
  318    HA   ILE   2           HA       ILE   2  -8.154  11.136   0.344
  319    HB   ILE   2           HB       ILE   2  -8.249  12.001  -1.921
  320   HG12  ILE   2          HG12      ILE   2  -5.692  10.571  -1.224
  321   HG13  ILE   2          HG11      ILE   2  -7.141   9.913  -1.968
  322   HG21  ILE   2          HG21      ILE   2  -6.505  13.338  -2.905
  323   HG22  ILE   2          HG22      ILE   2  -5.567  13.259  -1.413
  324   HG23  ILE   2          HG23      ILE   2  -7.104  14.120  -1.442
  325   HD11  ILE   2          HD11      ILE   2  -5.221  10.069  -3.510
  326   HD12  ILE   2          HD12      ILE   2  -5.227  11.820  -3.294
  327   HD13  ILE   2          HD13      ILE   2  -6.610  11.023  -4.039
  328    H    SER   3           HN       SER   3  -6.527   9.814   1.018
  329    HA   SER   3           HA       SER   3  -3.900  10.991   1.440
  330    HB2  SER   3           HB2      SER   3  -5.332   9.657   3.733
  331    HB3  SER   3           HB1      SER   3  -3.734  10.415   3.760
  332    HG   SER   3           HG       SER   3  -6.073  11.563   4.232
  333    H    DAR   4           HN       DAR   4  -2.314   9.327   2.289
  334    HA   DAR   4           HA       DAR   4  -2.725   6.852   0.763
  335    HB2  DAR   4           HB1      DAR   4  -1.680   7.064   3.581
  336    HB3  DAR   4           HB2      DAR   4  -1.324   5.693   2.537
  337    HG2  DAR   4           HG1      DAR   4  -3.607   5.106   2.390
  338    HG3  DAR   4           HG2      DAR   4  -4.100   6.595   3.205
  339    HD2  DAR   4           HD1      DAR   4  -2.371   4.451   4.428
  340    HD3  DAR   4           HD2      DAR   4  -4.112   4.601   4.681
  341    HE   DAR   4           HE       DAR   4  -2.721   7.006   5.289
  342   HH11  DAR   4          HH21      DAR   4  -2.916   6.463   8.741
  343   HH12  DAR   4          HH22      DAR   4  -2.463   7.642   7.452
  344   HH21  DAR   4          HH11      DAR   4  -3.440   4.272   8.128
  345   HH22  DAR   4          HH12      DAR   4  -3.699   3.898   6.375
  346    HA   28J   5           HA       28J   5   1.370   7.913  -0.016
  347    H22  28J   5           HB       28J   5   1.733   7.787  -2.631
  348    H23  28J   5          HG21      28J   5  -1.275   7.927  -2.397
  349    H24  28J   5          HG22      28J   5  -0.354   6.593  -3.092
  350    H25  28J   5          HG23      28J   5  -0.345   8.173  -3.876
  351    H26  28J   5          HG11      28J   5   0.626   9.836  -0.876
  352    H27  28J   5          HG12      28J   5   0.019  10.013  -2.520
  353    H28  28J   5          HD11      28J   5   2.937   9.853  -1.787
  354    H29  28J   5          HD12      28J   5   2.046  11.342  -2.094
  355    H30  28J   5          HD13      28J   5   2.263  10.163  -3.387
  356    H    ILE   6           HN       ILE   6   3.030   6.889  -1.701
  357    HA   ILE   6           HA       ILE   6   3.041   3.968  -1.329
  358    HB   ILE   6           HB       ILE   6   2.939   4.464  -3.636
  359   HG12  ILE   6          HG12      ILE   6   5.906   4.200  -3.236
  360   HG13  ILE   6          HG11      ILE   6   4.784   2.906  -2.879
  361   HG21  ILE   6          HG21      ILE   6   4.197   6.074  -4.821
  362   HG22  ILE   6          HG22      ILE   6   5.293   6.329  -3.467
  363   HG23  ILE   6          HG23      ILE   6   3.628   6.905  -3.372
  364   HD11  ILE   6          HD11      ILE   6   4.026   2.957  -5.199
  365   HD12  ILE   6          HD12      ILE   6   5.735   2.563  -5.011
  366   HD13  ILE   6          HD13      ILE   6   5.255   4.180  -5.522
  367    H    SER   7           HN       SER   7   4.448   3.297   0.299
  368    HA   SER   7           HA       SER   7   7.228   4.183   0.101
  369    HB2  SER   7           HB2      SER   7   5.738   4.581   2.707
  370    HB3  SER   7           HB1      SER   7   7.474   4.794   2.482
  371    HG   SER   7           HG       SER   7   6.318   6.211   0.638
  372    H    DTH   8           HN       DTC   8   8.720   2.990   1.463
  373    HA   DTH   8           HA       DTC   8   7.984   0.175   1.783
  374    HB   DTH   8           HB       DTC   8   9.066  -0.090   3.992
  375   HG21  DTH   8          HG21      DTC   8   6.851   1.988   3.913
  376   HG22  DTH   8          HG22      DTC   8   7.317   1.065   5.343
  377   HG23  DTH   8          HG23      DTC   8   6.655   0.236   3.934
  378    H    ALA   9           HN       ALA   9  10.458   2.483   1.107
  379    HA   ALA   9           HA       ALA   9  12.490   0.480   0.747
  380    HB1  ALA   9           HB1      ALA   9  11.969   2.433  -0.807
  381    HB2  ALA   9           HB2      ALA   9  13.660   2.145  -0.416
  382    HB3  ALA   9           HB3      ALA   9  12.775   3.441   0.390
  383    H    LEU  10           HN       LEU  10  12.456   3.628   2.034
  384    HA   LEU  10           HA       LEU  10  14.680   3.074   3.834
  385    HB2  LEU  10           HB2      LEU  10  14.091   5.456   4.712
  386    HB3  LEU  10           HB1      LEU  10  14.814   5.266   3.129
  387    HG   LEU  10           HG       LEU  10  12.087   5.211   2.606
  388   HD11  LEU  10          HD11      LEU  10  11.488   5.927   4.777
  389   HD12  LEU  10          HD12      LEU  10  11.313   7.309   3.695
  390   HD13  LEU  10          HD13      LEU  10  12.710   7.199   4.765
  391   HD21  LEU  10          HD21      LEU  10  12.546   7.635   1.867
  392   HD22  LEU  10          HD22      LEU  10  13.472   6.338   1.109
  393   HD23  LEU  10          HD23      LEU  10  14.203   7.319   2.379
  394    H    ILE  11           HN       ILE  11  11.235   3.268   3.987
  395    HA   ILE  11           HA       ILE  11  11.391   2.515   6.847
  396    HB   ILE  11           HB       ILE  11   9.322   3.866   7.320
  397   HG12  ILE  11          HG12      ILE  11   9.545   5.957   5.463
  398   HG13  ILE  11          HG11      ILE  11   9.574   4.496   4.485
  399   HG21  ILE  11          HG21      ILE  11  12.004   4.949   6.796
  400   HG22  ILE  11          HG22      ILE  11  11.042   4.961   8.274
  401   HG23  ILE  11          HG23      ILE  11  10.726   6.145   7.005
  402   HD11  ILE  11          HD11      ILE  11   7.438   5.238   6.478
  403   HD12  ILE  11          HD12      ILE  11   7.458   3.787   5.478
  404   HD13  ILE  11          HD13      ILE  11   7.315   5.374   4.725
  405    H1   ALA   1           HN       ALA   1 -15.959 -10.255   7.253
  406    HA   ALA   1           HA       ALA   1 -17.624 -11.237   9.310
  407    HB1  ALA   1           HB1      ALA   1 -16.969  -9.123  10.427
  408    HB2  ALA   1           HB2      ALA   1 -18.721  -9.338  10.206
  409    HB3  ALA   1           HB3      ALA   1 -17.809  -8.267   9.137
  410    H    DGL   2           HN       DGL   2 -19.820  -9.239   8.807
  411    HA   DGL   2           HA       DGL   2 -21.212  -8.538   7.149
  412    HB2  DGL   2           HB1      DGL   2 -21.874 -10.542   5.542
  413    HB3  DGL   2           HB2      DGL   2 -22.325 -10.675   7.241
  414    HG2  DGL   2           HG1      DGL   2 -21.087 -12.601   7.512
  415    HG3  DGL   2           HG2      DGL   2 -19.632 -11.950   6.746
  416    H    LYS   3           HN       LYS   3 -20.537 -11.530   4.181
  417    HA   LYS   3           HA       LYS   3 -20.779 -12.446   2.243
  418    HB2  LYS   3           HB2      LYS   3 -19.039 -13.948   3.456
  419    HB3  LYS   3           HB1      LYS   3 -20.245 -15.212   3.148
  420    HG2  LYS   3           HG2      LYS   3 -19.961 -13.514   0.828
  421    HG3  LYS   3           HG1      LYS   3 -18.372 -14.057   1.341
  422    HD2  LYS   3           HD2      LYS   3 -18.708 -15.988   0.188
  423    HD3  LYS   3           HD1      LYS   3 -19.916 -16.330   1.397
  424    HE2  LYS   3           HE2      LYS   3 -20.477 -15.410  -1.348
  425    HE3  LYS   3           HE1      LYS   3 -21.162 -16.799  -0.155
  426    HZ1  LYS   3           HZ1      LYS   3 -22.985 -15.717  -0.920
  427    HZ2  LYS   3           HZ2      LYS   3 -22.297 -14.251  -0.758
  428    HZ3  LYS   3           HZ3      LYS   3 -22.570 -15.169   0.626
  429    H    DAL   4           HN       DAL   4 -22.869 -11.917   3.699
  430    HA   DAL   4           HA       DAL   4 -25.399 -11.608   3.498
  431    HB1  DAL   4           HB1      DAL   4 -25.552 -12.944   5.232
  432    HB2  DAL   4           HB2      DAL   4 -25.854 -14.319   4.172
  433    HB3  DAL   4           HB3      DAL   4 -26.982 -12.888   4.143
  434    H    DAL   5           HN       DAL   5 -23.854 -10.930   1.345
  435    HA   DAL   5           HA       DAL   5 -23.796 -10.420  -1.167
  436    HB1  DAL   5           HB1      DAL   5 -26.366 -11.943  -0.619
  437    HB2  DAL   5           HB2      DAL   5 -26.066 -11.204  -2.168
  438    HB3  DAL   5           HB3      DAL   5 -26.419 -10.162  -0.752
  439    H1   ALA   1           HN       ALA   1  16.656  -1.708  -4.374
  440    HA   ALA   1           HA       ALA   1  18.973  -0.104  -4.176
  441    HB1  ALA   1           HB1      ALA   1  18.851  -0.728  -1.788
  442    HB2  ALA   1           HB2      ALA   1  20.361  -1.216  -2.593
  443    HB3  ALA   1           HB3      ALA   1  19.092  -2.403  -2.278
  444    H    DGL   2           HN       DGL   2  20.863  -2.388  -3.804
  445    HA   DGL   2           HA       DGL   2  21.524  -4.322  -4.808
  446    HB2  DGL   2           HB1      DGL   2  21.538  -4.147  -7.405
  447    HB3  DGL   2           HB2      DGL   2  22.436  -2.887  -6.561
  448    HG2  DGL   2           HG1      DGL   2  21.139  -1.210  -7.476
  449    HG3  DGL   2           HG2      DGL   2  19.596  -2.009  -7.143
  450    H    LYS   3           HN       LYS   3  19.337  -4.017  -8.690
  451    HA   LYS   3           HA       LYS   3  18.813  -4.729 -10.657
  452    HB2  LYS   3           HB2      LYS   3  18.271  -2.123 -10.746
  453    HB3  LYS   3           HB1      LYS   3  19.276  -2.281 -12.198
  454    HG2  LYS   3           HG2      LYS   3  17.146  -4.319 -11.627
  455    HG3  LYS   3           HG1      LYS   3  16.667  -2.753 -12.260
  456    HD2  LYS   3           HD2      LYS   3  16.841  -3.882 -14.279
  457    HD3  LYS   3           HD1      LYS   3  18.463  -3.280 -14.059
  458    HE2  LYS   3           HE1      LYS   3  19.047  -5.264 -14.811
  459    HE3  LYS   3           HE2      LYS   3  18.874  -5.483 -12.874
  460    HZ1  LYS   3           HZ1      LYS   3  16.905  -6.834 -14.228
  461    HZ2  LYS   3           HZ2      LYS   3  18.047  -7.365 -13.079
  462    HZ3  LYS   3           HZ3      LYS   3  18.460  -7.285 -14.721
  463    H    DAL   4           HN       DAL   4  21.039  -5.345  -9.714
  464    HA   DAL   4           HA       DAL   4  23.192  -6.698 -10.014
  465    HB1  DAL   4           HB1      DAL   4  24.169  -5.159 -12.145
  466    HB2  DAL   4           HB2      DAL   4  24.963  -6.372 -11.143
  467    HB3  DAL   4           HB3      DAL   4  24.423  -4.798 -10.402
  468    H    DAL   5           HN       DAL   5  21.085  -8.126  -9.990
  469    HA   DAL   5           HA       DAL   5  19.753 -10.186 -10.706
  470    HB1  DAL   5           HB1      DAL   5  21.974  -9.902 -12.762
  471    HB2  DAL   5           HB2      DAL   5  21.076 -11.378 -12.547
  472    HB3  DAL   5           HB3      DAL   5  22.295 -10.907 -11.320
  473    H1   ALA   1           HN       ALA   1 -11.666   1.210  -7.976
  474    HA   ALA   1           HA       ALA   1 -11.098  -1.574  -8.096
  475    HB1  ALA   1           HB1      ALA   1 -11.215  -1.690  -5.751
  476    HB2  ALA   1           HB2      ALA   1 -12.725  -2.382  -6.378
  477    HB3  ALA   1           HB3      ALA   1 -12.697  -0.742  -5.730
  478    H    DGL   2           HN       DGL   2 -14.145  -1.062  -6.635
  479    HA   DGL   2           HA       DGL   2 -16.391  -1.181  -7.356
  480    HB2  DGL   2           HB1      DGL   2 -16.552  -2.236  -9.447
  481    HB3  DGL   2           HB2      DGL   2 -14.848  -1.980  -9.884
  482    HG2  DGL   2           HG1      DGL   2 -16.024  -1.011 -11.709
  483    HG3  DGL   2           HG2      DGL   2 -15.694   0.426 -10.732
  484    H    LYS   3           HN       LYS   3 -17.367   1.668 -10.479
  485    HA   LYS   3           HA       LYS   3 -19.331   2.478 -10.200
  486    HB2  LYS   3           HB2      LYS   3 -19.160   1.430 -12.644
  487    HB3  LYS   3           HB1      LYS   3 -20.683   0.702 -12.098
  488    HG2  LYS   3           HG2      LYS   3 -20.402   3.526 -11.348
  489    HG3  LYS   3           HG1      LYS   3 -20.316   3.286 -13.086
  490    HD2  LYS   3           HD2      LYS   3 -22.626   3.758 -12.665
  491    HD3  LYS   3           HD1      LYS   3 -22.451   2.044 -12.929
  492    HE2  LYS   3           HE1      LYS   3 -23.986   1.927 -11.338
  493    HE3  LYS   3           HE2      LYS   3 -22.254   1.861 -10.429
  494    HZ1  LYS   3           HZ1      LYS   3 -24.279   3.891  -9.964
  495    HZ2  LYS   3           HZ2      LYS   3 -22.804   3.692  -9.309
  496    HZ3  LYS   3           HZ3      LYS   3 -23.958   2.492  -9.065
  497    H    DAL   4           HN       DAL   4 -18.596   1.150  -8.313
  498    HA   DAL   4           HA       DAL   4 -19.127   0.274  -5.968
  499    HB1  DAL   4           HB1      DAL   4 -18.981  -1.780  -6.594
  500    HB2  DAL   4           HB2      DAL   4 -20.697  -1.863  -6.981
  501    HB3  DAL   4           HB3      DAL   4 -20.171  -1.519  -5.272
  502    H    DAL   5           HN       DAL   5 -19.555   2.835  -6.467
  503    HA   DAL   5           HA       DAL   5 -20.787   5.009  -5.904
  504    HB1  DAL   5           HB1      DAL   5 -22.328   2.737  -4.606
  505    HB2  DAL   5           HB2      DAL   5 -22.661   4.402  -4.217
  506    HB3  DAL   5           HB3      DAL   5 -21.144   3.650  -3.628
  507    H1   ALA   1           HN       ALA   1  17.005  10.313  -2.546
  508    HA   ALA   1           HA       ALA   1  19.819  10.447  -2.432
  509    HB1  ALA   1           HB1      ALA   1  20.601   8.288  -2.843
  510    HB2  ALA   1           HB2      ALA   1  18.960   7.621  -2.998
  511    HB3  ALA   1           HB3      ALA   1  19.546   8.199  -1.435
  512    H    DGL   2           HN       DGL   2  20.396   8.603  -4.636
  513    HA   DGL   2           HA       DGL   2  19.968   8.258  -6.846
  514    HB2  DGL   2           HB1      DGL   2  19.870  10.372  -8.219
  515    HB3  DGL   2           HB2      DGL   2  21.162  10.444  -7.020
  516    HG2  DGL   2           HG1      DGL   2  20.332  12.444  -6.245
  517    HG3  DGL   2           HG2      DGL   2  18.784  11.714  -5.796
  518    H    LYS   3           HN       LYS   3  17.045  12.023  -7.171
  519    HA   LYS   3           HA       LYS   3  15.704  12.999  -8.550
  520    HB2  LYS   3           HB2      LYS   3  17.005  14.944  -7.367
  521    HB3  LYS   3           HB1      LYS   3  17.381  15.374  -9.045
  522    HG2  LYS   3           HG2      LYS   3  14.581  14.655  -8.196
  523    HG3  LYS   3           HG1      LYS   3  15.197  16.280  -7.942
  524    HD2  LYS   3           HD2      LYS   3  14.513  16.832 -10.038
  525    HD3  LYS   3           HD1      LYS   3  15.749  15.730 -10.584
  526    HE2  LYS   3           HE1      LYS   3  13.140  14.488 -10.071
  527    HE3  LYS   3           HE2      LYS   3  13.672  15.473 -11.675
  528    HZ1  LYS   3           HZ1      LYS   3  13.834  13.613 -12.629
  529    HZ2  LYS   3           HZ2      LYS   3  13.645  12.681 -11.214
  530    HZ3  LYS   3           HZ3      LYS   3  15.142  13.382 -11.582
  531    H    DAL   4           HN       DAL   4  17.495  11.197  -9.404
  532    HA   DAL   4           HA       DAL   4  18.023   9.638 -11.357
  533    HB1  DAL   4           HB1      DAL   4  19.095  11.701 -12.924
  534    HB2  DAL   4           HB2      DAL   4  19.214   9.951 -13.090
  535    HB3  DAL   4           HB3      DAL   4  19.987  10.781 -11.665
  536    H    DAL   5           HN       DAL   5  15.676   9.148 -10.804
  537    HA   DAL   5           HA       DAL   5  13.239   8.583 -11.331
  538    HB1  DAL   5           HB1      DAL   5  12.964   8.558 -13.780
  539    HB2  DAL   5           HB2      DAL   5  14.485   7.798 -13.399
  540    HB3  DAL   5           HB3      DAL   5  14.482   9.411 -14.182
  541    H12  P1W 103           H12      TPL  10  -9.325  -6.159   4.270
  542    H11  P1W 103           H11      TPL  10  -7.776  -5.913   3.463
  543    H2   P1W 103           H2       TPL  10  -9.600  -3.767   2.892
  544    H43  P1W 103           H42      TPL  10 -11.974  -4.480   0.987
  545    H42  P1W 103           H41      TPL  10 -10.422  -3.830   0.479
  546    H51  P1W 103           H51      TPL  10 -10.626  -7.151   3.137
  547    H52  P1W 103           H52      TPL  10 -10.246  -7.547   1.463
  548    H53  P1W 103           H53      TPL  10 -11.849  -6.935   1.877
  549    H12  P1W 104           H12      TPL  11 -10.456  -5.122  -1.332
  550    H11  P1W 104           H11      TPL  11 -10.539  -6.562  -0.327
  551    H2   P1W 104           H2       TPL  11 -13.029  -6.472  -0.352
  552    H43  P1W 104           H42      TPL  11 -14.573  -5.035  -3.488
  553    H42  P1W 104           H41      TPL  11 -14.608  -6.534  -2.558
  554    H51  P1W 104           H51      TPL  11 -13.006  -3.734  -3.593
  555    H52  P1W 104           H52      TPL  11 -11.432  -4.462  -3.275
  556    H53  P1W 104           H53      TPL  11 -12.090  -3.262  -2.163
  557    H12  P1W 105           H12      TPL  11   9.683  -9.860  -7.262
  558    H11  P1W 105           H11      TPL  11   9.302  -8.490  -8.296
  559    H2   P1W 105           H2       TPL  11  11.764  -8.041  -8.572
  560    H43  P1W 105           H42      TPL  11  13.923 -11.118  -8.664
  561    H42  P1W 105           H41      TPL  11  13.448  -9.853  -9.799
  562    H51  P1W 105           H51      TPL  11  12.691 -11.924  -7.227
  563    H52  P1W 105           H52      TPL  11  11.042 -11.856  -7.848
  564    H53  P1W 105           H53      TPL  11  11.449 -11.046  -6.335
  565    H12  P1W 106           H12      TPL  12 -16.438  -5.285  -1.767
  566    H11  P1W 106           H11      TPL  12 -15.195  -5.074  -0.539
  567    H2   P1W 106           H2       TPL  12 -15.148  -3.002  -2.662
  568    H43  P1W 106           H43      TPL  12 -17.106  -0.651  -1.178
  569    H41  P1W 106           H41      TPL  12 -15.521  -0.736  -1.956
  570    H42  P1W 106           H42      TPL  12 -15.638  -0.480  -0.215
  571    H51  P1W 106           H51      TPL  12 -17.514  -3.529   0.341
  572    H52  P1W 106           H52      TPL  12 -16.899  -2.050   1.077
  573    H53  P1W 106           H53      TPL  12 -15.906  -3.511   1.075
  574    H12  P1W 107           H12      TPL  12  14.370  -8.158  -8.503
  575    H11  P1W 107           H11      TPL  12  14.314  -9.111  -7.024
  576    H2   P1W 107           H2       TPL  12  16.051 -10.610  -8.575
  577    H43  P1W 107           H43      TPL  12  18.784  -9.007  -9.363
  578    H41  P1W 107           H41      TPL  12  18.481 -10.365  -8.272
  579    H42  P1W 107           H42      TPL  12  19.099  -8.841  -7.637
  580    H51  P1W 107           H51      TPL  12  17.865  -7.009  -7.320
  581    H52  P1W 107           H52      TPL  12  16.140  -7.203  -7.019
  582    H53  P1W 107           H53      TPL  12  16.703  -6.702  -8.615
  583    H12  P1W 103           H12      TPL  10   8.345  -9.023  -2.569
  584    H11  P1W 103           H11      TPL  10  10.011  -9.510  -2.249
  585    H2   P1W 103           H2       TPL  10  10.674  -7.449  -3.767
  586    H43  P1W 103           H42      TPL  10   9.327  -7.132  -6.536
  587    H42  P1W 103           H41      TPL  10  10.995  -7.566  -6.195
  588    H51  P1W 103           H51      TPL  10   8.177  -9.926  -6.126
  589    H52  P1W 103           H52      TPL  10   8.353 -10.305  -4.415
  590    H53  P1W 103           H53      TPL  10   9.626 -10.761  -5.551
  591    H12  P1W 103           H12      TPL  10  -8.523  10.402  -2.973
  592    H11  P1W 103           H11      TPL  10  -9.892  11.513  -2.929
  593    H2   P1W 103           H2       TPL  10  -9.830   9.553  -5.212
  594    H43  P1W 103           H42      TPL  10  -8.200  11.854  -7.546
  595    H42  P1W 103           H41      TPL  10  -9.106  10.337  -7.472
  596    H51  P1W 103           H51      TPL  10  -8.120  12.484  -3.979
  597    H52  P1W 103           H52      TPL  10  -8.624  13.495  -5.332
  598    H53  P1W 103           H53      TPL  10  -7.162  12.514  -5.465
  599    H12  P1W 103           H12      TPL  10   7.945   3.326  -1.545
  600    H11  P1W 103           H11      TPL  10   9.680   3.535  -1.759
  601    H2   P1W 103           H2       TPL  10   8.144   6.098  -1.757
  602    H43  P1W 103           H42      TPL  10   7.754   7.284  -3.658
  603    H42  P1W 103           H41      TPL  10   9.136   6.983  -4.713
  604    H51  P1W 103           H51      TPL  10   9.118   3.259  -4.083
  605    H52  P1W 103           H52      TPL  10   9.117   4.339  -5.474
  606    H53  P1W 103           H53      TPL  10   7.592   3.693  -4.866
  607    H12  P1W 104           H12      TPL  11 -10.247  13.138  -7.302
  608    H11  P1W 104           H11      TPL  11 -10.388  12.059  -8.690
  609    H2   P1W 104           H2       TPL  11 -11.743  10.471  -7.274
  610    H43  P1W 104           H42      TPL  11 -13.657  10.443  -5.796
  611    H42  P1W 104           H41      TPL  11 -13.298  11.218  -4.252
  612    H51  P1W 104           H51      TPL  11 -11.648  14.067  -5.868
  613    H52  P1W 104           H52      TPL  11 -10.752  13.057  -4.733
  614    H53  P1W 104           H53      TPL  11 -12.424  13.506  -4.387
  615    H12  P1W 105           H12      TPL  11   7.376   5.399  -5.918
  616    H11  P1W 105           H11      TPL  11   6.232   6.537  -5.209
  617    H2   P1W 105           H2       TPL  11   8.627   7.567  -6.775
  618    H43  P1W 105           H42      TPL  11   6.712   9.738  -8.361
  619    H42  P1W 105           H41      TPL  11   8.093   8.755  -8.851
  620    H51  P1W 105           H51      TPL  11   4.700   7.856  -8.313
  621    H52  P1W 105           H52      TPL  11   4.822   7.313  -6.641
  622    H53  P1W 105           H53      TPL  11   5.245   6.218  -7.956
  623    H12  P1W 106           H12      TPL  12 -14.346  13.328  -5.463
  624    H11  P1W 106           H11      TPL  12 -15.139  12.095  -6.438
  625    H2   P1W 106           H2       TPL  12 -15.591  12.765  -3.571
  626    H43  P1W 106           H43      TPL  12 -18.640  11.545  -3.524
  627    H41  P1W 106           H41      TPL  12 -17.287  11.460  -2.389
  628    H42  P1W 106           H42      TPL  12 -17.894   9.991  -3.153
  629    H51  P1W 106           H51      TPL  12 -16.242   9.676  -5.848
  630    H52  P1W 106           H52      TPL  12 -17.131  11.029  -6.545
  631    H53  P1W 106           H53      TPL  12 -17.975   9.846  -5.543
  632    H12  P1W 107           H12      TPL  12   6.298   7.316 -10.077
  633    H11  P1W 107           H11      TPL  12   5.297   8.758  -9.935
  634    H2   P1W 107           H2       TPL  12   7.188  10.057 -11.066
  635    H43  P1W 107           H43      TPL  12   7.602   8.826 -14.315
  636    H41  P1W 107           H41      TPL  12   9.164   8.620 -13.511
  637    H42  P1W 107           H42      TPL  12   8.205  10.072 -13.222
  638    H51  P1W 107           H51      TPL  12   7.923   6.481 -13.210
  639    H52  P1W 107           H52      TPL  12   6.287   6.570 -12.561
  640    H53  P1W 107           H53      TPL  12   7.651   6.306 -11.472
  641    H1   MUB 101           H1       NAM   6 -13.935  -5.858   7.261
  642    H2   MUB 101           H2       NAM   6 -12.862  -7.540   8.076
  643    HN2  MUB 101           HN2      NAM   6 -10.737  -7.796   7.424
  644    H81  MUB 101           H81      NAM   6  -9.508  -9.244   4.341
  645    H82  MUB 101           H82      NAM   6  -9.252  -9.509   6.058
  646    H83  MUB 101           H83      NAM   6  -9.071  -7.882   5.418
  647    H3   MUB 101           H3       NAM   6 -13.390  -9.012   5.340
  648    H9   MUB 101           H9       NAM   6 -14.000  -8.916   8.376
  649   H111  MUB 101          H111      NAM   6 -11.653 -10.746   9.167
  650   H112  MUB 101          H112      NAM   6 -12.625  -9.898  10.336
  651   H113  MUB 101          H113      NAM   6 -11.839  -8.933   9.147
  652    H4A  MUB 101           H4       NAM   6 -15.671  -8.533   7.343
  653    H5   MUB 101           H5       NAM   6 -15.976  -7.175   4.727
  654    H61  MUB 101           H61      NAM   6 -17.181  -6.537   6.705
  655    H62  MUB 101           H62      NAM   6 -16.348  -5.078   5.998
  656    HO6  MUB 101           HO6      NAM   6 -16.192  -5.785   8.487
  657    H1   NAG 102           H1       NAG   7 -14.513 -10.323   4.674
  658    H2   NAG 102           H2       NAG   7 -17.515 -10.727   3.832
  659    H3   NAG 102           H3       NAG   7 -14.960 -11.933   2.636
  660    H4   NAG 102           H4       NAG   7 -16.687  -9.904   1.253
  661    H5   NAG 102           H5       NAG   7 -13.786  -9.449   2.517
  662    H61  NAG 102           H61      NAG   7 -15.589  -7.491   1.117
  663    H62  NAG 102           H62      NAG   7 -14.010  -8.099   0.645
  664    H81  NAG 102           H81      NAG   7 -16.371 -14.604   5.742
  665    H82  NAG 102           H82      NAG   7 -16.179 -13.507   7.104
  666    H83  NAG 102           H83      NAG   7 -14.758 -14.319   6.452
  667    HN2  NAG 102           HN2      NAG   7 -17.440 -12.219   5.201
  668    HO3  NAG 102           HO3      NAG   7 -16.964 -13.007   2.500
  669    HO4  NAG 102           HO4      NAG   7 -15.463 -11.354   0.082
  670    HO6  NAG 102           HO6      NAG   7 -14.285  -7.033   3.207
  671    H1   MUB 101           H1       NAM   6  14.081  -4.668  -1.018
  672    H2   MUB 101           H2       NAM   6  13.909  -2.509  -1.253
  673    HN2  MUB 101           HN2      NAM   6  11.755  -1.814  -1.414
  674    H81  MUB 101           H81      NAM   6  10.052  -0.882  -3.081
  675    H82  MUB 101           H82      NAM   6   9.401  -2.402  -2.482
  676    H83  MUB 101           H83      NAM   6   9.525  -2.159  -4.219
  677    H3   MUB 101           H3       NAM   6  13.499  -2.973  -4.348
  678    H9   MUB 101           H9       NAM   6  15.292  -1.512  -2.271
  679   H111  MUB 101          H111      NAM   6  13.423   0.920  -2.019
  680   H112  MUB 101          H112      NAM   6  14.795   0.668  -0.975
  681   H113  MUB 101          H113      NAM   6  13.617  -0.586  -1.011
  682    H4A  MUB 101           H4       NAM   6  16.313  -2.815  -3.123
  683    H5   MUB 101           H5       NAM   6  15.702  -5.477  -4.114
  684    H61  MUB 101           H61      NAM   6  15.927  -6.313  -1.912
  685    H62  MUB 101           H62      NAM   6  15.876  -4.696  -1.119
  686    HO6  MUB 101           HO6      NAM   6  17.781  -5.243  -3.272
  687    H1   NAG 102           H1       NAG   7  14.337  -2.751  -5.884
  688    H2   NAG 102           H2       NAG   7  16.843  -3.620  -7.541
  689    H3   NAG 102           H3       NAG   7  14.011  -2.776  -8.448
  690    H4   NAG 102           H4       NAG   7  15.155  -5.550  -8.686
  691    H5   NAG 102           H5       NAG   7  12.871  -4.516  -6.705
  692    H61  NAG 102           H61      NAG   7  14.069  -7.277  -6.881
  693    H62  NAG 102           H62      NAG   7  12.478  -6.738  -7.402
  694    H81  NAG 102           H81      NAG   7  16.777   0.759  -6.508
  695    H82  NAG 102           H82      NAG   7  15.217   1.364  -7.052
  696    H83  NAG 102           H83      NAG   7  16.397   0.844  -8.252
  697    HN2  NAG 102           HN2      NAG   7  17.252  -1.605  -7.471
  698    HO3  NAG 102           HO3      NAG   7  15.782  -2.428  -9.814
  699    HO4  NAG 102           HO4      NAG   7  13.553  -4.719 -10.107
  700    HO6  NAG 102           HO6      NAG   7  13.464  -6.177  -4.819
  701    H1   MUB 101           H1       NAM   6 -12.355   3.775  -3.688
  702    H2   MUB 101           H2       NAM   6 -10.329   3.682  -4.617
  703    HN2  MUB 101           HN2      NAM   6  -9.426   5.748  -4.734
  704    H81  MUB 101           H81      NAM   6  -8.300   7.117  -6.870
  705    H82  MUB 101           H82      NAM   6  -9.338   8.014  -5.771
  706    H83  MUB 101           H83      NAM   6  -9.692   8.054  -7.493
  707    H3   MUB 101           H3       NAM   6 -11.617   4.563  -7.330
  708    H9   MUB 101           H9       NAM   6 -10.435   2.150  -5.774
  709   H111  MUB 101          H111      NAM   6  -7.528   2.889  -6.441
  710   H112  MUB 101          H112      NAM   6  -7.912   1.546  -5.401
  711   H113  MUB 101          H113      NAM   6  -8.537   3.083  -4.937
  712    H4A  MUB 101           H4       NAM   6 -12.247   1.796  -6.293
  713    H5   MUB 101           H5       NAM   6 -14.557   3.582  -6.493
  714    H61  MUB 101           H61      NAM   6 -14.663   1.616  -5.280
  715    H62  MUB 101           H62      NAM   6 -15.170   2.979  -4.188
  716    HO6  MUB 101           HO6      NAM   6 -13.432   1.161  -3.623
  717    H1   NAG 102           H1       NAG   7 -11.866   3.761  -8.963
  718    H2   NAG 102           H2       NAG   7 -14.402   2.388 -10.197
  719    H3   NAG 102           H3       NAG   7 -12.500   4.394 -11.504
  720    H4   NAG 102           H4       NAG   7 -15.335   5.012 -10.745
  721    H5   NAG 102           H5       NAG   7 -12.653   6.027  -9.339
  722    H61  NAG 102           H61      NAG   7 -15.500   6.591  -8.527
  723    H62  NAG 102           H62      NAG   7 -14.382   7.684  -9.313
  724    H81  NAG 102           H81      NAG   7  -9.563   1.010 -11.545
  725    H82  NAG 102           H82      NAG   7 -11.011   0.385 -12.327
  726    H83  NAG 102           H83      NAG   7 -10.684  -0.053 -10.651
  727    HN2  NAG 102           HN2      NAG   7 -13.082   0.941 -10.690
  728    HO3  NAG 102           HO3      NAG   7 -13.731   2.811 -12.678
  729    HO4  NAG 102           HO4      NAG   7 -14.228   6.065 -12.443
  730    HO6  NAG 102           HO6      NAG   7 -13.018   6.872  -7.353
  731    H1   MUB 101           H1       NAM   6  14.588   6.579  -1.297
  732    H2   MUB 101           H2       NAM   6  14.425   8.210   0.278
  733    HN2  MUB 101           HN2      NAM   6  12.369   8.844   0.905
  734    H81  MUB 101           H81      NAM   6  10.164  11.121  -0.856
  735    H82  MUB 101           H82      NAM   6  10.850  10.968   0.753
  736    H83  MUB 101           H83      NAM   6   9.964   9.607   0.079
  737    H3   MUB 101           H3       NAM   6  13.710  10.194  -2.004
  738    H9   MUB 101           H9       NAM   6  16.138   8.967  -0.519
  739   H111  MUB 101          H111      NAM   6  15.683  10.624   2.011
  740   H112  MUB 101          H112      NAM   6  16.992   9.478   1.925
  741   H113  MUB 101          H113      NAM   6  15.413   8.865   1.617
  742    H4A  MUB 101           H4       NAM   6  16.322   8.704  -2.369
  743    H5   MUB 101           H5       NAM   6  14.230   8.231  -4.454
  744    H61  MUB 101           H61      NAM   6  16.356   7.073  -4.196
  745    H62  MUB 101           H62      NAM   6  14.997   5.945  -4.555
  746    HO6  MUB 101           HO6      NAM   6  15.476   5.155  -2.472
  747    H1   NAG 102           H1       NAG   7  14.320  11.332  -3.025
  748    H2   NAG 102           H2       NAG   7  15.868  11.873  -5.682
  749    H3   NAG 102           H3       NAG   7  13.716  13.475  -4.204
  750    H4   NAG 102           H4       NAG   7  13.335  12.099  -6.843
  751    H5   NAG 102           H5       NAG   7  12.080  11.291  -4.018
  752    H61  NAG 102           H61      NAG   7  11.851   9.833  -6.658
  753    H62  NAG 102           H62      NAG   7  10.630  10.784  -5.827
  754    H81  NAG 102           H81      NAG   7  18.036  13.184  -1.973
  755    H82  NAG 102           H82      NAG   7  16.921  14.276  -1.161
  756    H83  NAG 102           H83      NAG   7  17.598  14.745  -2.719
  757    HN2  NAG 102           HN2      NAG   7  17.218  12.699  -4.408
  758    HO3  NAG 102           HO3      NAG   7  15.247  14.522  -5.503
  759    HO4  NAG 102           HO4      NAG   7  12.152  13.925  -6.345
  760    HO6  NAG 102           HO6      NAG   7  12.015   8.819  -4.402
  Start of MODEL    7
    1    H    ZAE   1           HN1      DPH   1   8.358 -14.272  -5.984
    2    HA   ZAE   1           HA       DPH   1   6.476 -13.029  -6.626
    3    HB2  ZAE   1           HB1      DPH   1   9.018 -11.489  -7.188
    4    HB3  ZAE   1           HB2      DPH   1   8.366 -12.819  -8.136
    5    HD1  ZAE   1           HD1      DPH   1   6.049 -12.462  -9.224
    6    HD2  ZAE   1           HD2      DPH   1   8.462  -9.293  -7.715
    7    HE1  ZAE   1           HE1      DPH   1   4.815 -10.854 -10.623
    8    HE2  ZAE   1           HE2      DPH   1   7.230  -7.685  -9.108
    9    HZ   ZAE   1           HZ       DPH   1   5.406  -8.464 -10.566
   10    H11  ZAE   1          HN11      DPH   1   9.337 -11.788  -4.758
   11    H12  ZAE   1          HN12      DPH   1  10.081 -12.721  -6.055
   12    H13  ZAE   1          HN13      DPH   1  10.016 -13.383  -4.421
   13    HN2  ZAE   1           HN2      DPH   1   7.674 -13.634  -4.572
   14    H    ILE   2           HN       ILE   2   4.944 -11.858  -5.738
   15    HA   ILE   2           HA       ILE   2   5.742  -9.508  -4.171
   16    HB   ILE   2           HB       ILE   2   4.886  -8.269  -5.829
   17   HG12  ILE   2          HG12      ILE   2   2.346  -9.380  -4.699
   18   HG13  ILE   2          HG11      ILE   2   3.239  -8.001  -4.079
   19   HG21  ILE   2          HG21      ILE   2   3.408  -9.066  -7.645
   20   HG22  ILE   2          HG22      ILE   2   3.280 -10.635  -6.850
   21   HG23  ILE   2          HG23      ILE   2   4.839 -10.084  -7.460
   22   HD11  ILE   2          HD11      ILE   2   2.753  -6.969  -6.358
   23   HD12  ILE   2          HD12      ILE   2   1.435  -7.113  -5.196
   24   HD13  ILE   2          HD13      ILE   2   1.566  -8.270  -6.523
   25    H    SER   3           HN       SER   3   4.959  -9.440  -2.082
   26    HA   SER   3           HA       SER   3   2.469 -10.969  -1.626
   27    HB2  SER   3           HB2      SER   3   4.775 -10.566   0.284
   28    HB3  SER   3           HB1      SER   3   3.243 -11.317   0.715
   29    HG   SER   3           HG       SER   3   3.870 -12.768  -1.220
   30    H    DAR   4           HN       DAR   4   0.864 -10.136  -0.543
   31    HA   DAR   4           HA       DAR   4   0.937  -7.288   0.212
   32    HB2  DAR   4           HB1      DAR   4  -0.456  -9.490   1.759
   33    HB3  DAR   4           HB2      DAR   4  -0.476  -7.775   2.138
   34    HG2  DAR   4           HG1      DAR   4   2.022  -9.428   2.106
   35    HG3  DAR   4           HG2      DAR   4   1.039  -9.127   3.546
   36    HD2  DAR   4           HD1      DAR   4   1.282  -6.687   3.092
   37    HD3  DAR   4           HD2      DAR   4   2.423  -7.097   1.817
   38    HE   DAR   4           HE       DAR   4   3.330  -8.353   4.076
   39   HH11  DAR   4          HH21      DAR   4   5.122  -5.666   5.500
   40   HH12  DAR   4          HH22      DAR   4   4.930  -7.452   5.458
   41   HH21  DAR   4          HH11      DAR   4   3.913  -4.338   4.081
   42   HH22  DAR   4          HH12      DAR   4   2.711  -5.076   2.962
   43    HA   28J   5           HA       28J   5  -3.047  -7.746  -1.573
   44    H22  28J   5           HB       28J   5  -2.729  -5.841  -3.650
   45    H23  28J   5          HG21      28J   5  -0.400  -7.742  -3.364
   46    H24  28J   5          HG22      28J   5  -0.314  -5.988  -3.203
   47    H25  28J   5          HG23      28J   5  -0.727  -6.713  -4.757
   48    H26  28J   5          HG11      28J   5  -2.802  -8.846  -3.439
   49    H27  28J   5          HG12      28J   5  -2.724  -8.016  -4.989
   50    H28  28J   5          HD11      28J   5  -4.816  -6.867  -4.465
   51    H29  28J   5          HD12      28J   5  -4.906  -7.756  -2.943
   52    H30  28J   5          HD13      28J   5  -4.988  -8.621  -4.478
   53    H    ILE   6           HN       ILE   6  -4.976  -6.747  -1.259
   54    HA   ILE   6           HA       ILE   6  -4.988  -3.830  -0.824
   55    HB   ILE   6           HB       ILE   6  -6.585  -4.270  -2.521
   56   HG12  ILE   6          HG12      ILE   6  -8.369  -4.462  -0.106
   57   HG13  ILE   6          HG11      ILE   6  -7.415  -3.021  -0.397
   58   HG21  ILE   6          HG21      ILE   6  -7.505  -6.586  -0.842
   59   HG22  ILE   6          HG22      ILE   6  -6.674  -6.640  -2.401
   60   HG23  ILE   6          HG23      ILE   6  -8.319  -6.019  -2.306
   61   HD11  ILE   6          HD11      ILE   6  -9.527  -2.554  -1.279
   62   HD12  ILE   6          HD12      ILE   6  -9.666  -4.115  -1.998
   63   HD13  ILE   6          HD13      ILE   6  -8.567  -2.956  -2.672
   64    H    SER   7           HN       SER   7  -5.454  -3.023   1.096
   65    HA   SER   7           HA       SER   7  -7.030  -4.677   2.925
   66    HB2  SER   7           HB2      SER   7  -4.711  -3.008   3.818
   67    HB3  SER   7           HB1      SER   7  -5.666  -4.138   4.779
   68    HG   SER   7           HG       SER   7  -4.785  -5.800   3.755
   69    H    DTH   8           HN       DTC   8  -7.773  -3.553   4.846
   70    HA   DTH   8           HA       DTC   8  -8.893  -0.894   4.240
   71    HB   DTH   8           HB       DTC   8  -8.802  -0.291   6.630
   72   HG21  DTH   8          HG21      DTC   8  -6.897   0.308   5.160
   73   HG22  DTH   8          HG22      DTC   8  -6.133  -1.248   5.490
   74   HG23  DTH   8          HG23      DTC   8  -6.336  -0.072   6.786
   75    H    ALA   9           HN       ALA   9  -9.268  -3.952   6.055
   76    HA   ALA   9           HA       ALA   9 -12.211  -3.601   6.293
   77    HB1  ALA   9           HB1      ALA   9 -11.879  -5.657   5.189
   78    HB2  ALA   9           HB2      ALA   9 -12.059  -6.121   6.881
   79    HB3  ALA   9           HB3      ALA   9 -10.459  -6.047   6.146
   80    H    LEU  10           HN       LEU  10  -9.857  -5.553   7.764
   81    HA   LEU  10           HA       LEU  10 -10.937  -5.000  10.425
   82    HB2  LEU  10           HB2      LEU  10  -9.063  -6.714  11.070
   83    HB3  LEU  10           HB1      LEU  10 -10.524  -7.268  10.275
   84    HG   LEU  10           HG       LEU  10  -8.414  -8.303   9.411
   85   HD11  LEU  10          HD11      LEU  10 -10.659  -7.310   8.045
   86   HD12  LEU  10          HD12      LEU  10  -9.648  -8.698   7.649
   87   HD13  LEU  10          HD13      LEU  10  -9.261  -7.112   6.988
   88   HD21  LEU  10          HD21      LEU  10  -6.851  -6.496   9.428
   89   HD22  LEU  10          HD22      LEU  10  -7.900  -5.494   8.425
   90   HD23  LEU  10          HD23      LEU  10  -7.130  -6.925   7.740
   91    H    ILE  11           HN       ILE  11  -8.628  -3.897   8.326
   92    HA   ILE  11           HA       ILE  11  -7.438  -2.296  10.485
   93    HB   ILE  11           HB       ILE  11  -5.915  -4.329  10.047
   94   HG12  ILE  11          HG12      ILE  11  -3.846  -2.962  10.125
   95   HG13  ILE  11          HG11      ILE  11  -4.771  -1.541   9.655
   96   HG21  ILE  11          HG21      ILE  11  -5.421  -2.764   7.520
   97   HG22  ILE  11          HG22      ILE  11  -6.121  -4.379   7.634
   98   HG23  ILE  11          HG23      ILE  11  -4.437  -4.112   8.089
   99   HD11  ILE  11          HD11      ILE  11  -5.945  -1.528  11.719
  100   HD12  ILE  11          HD12      ILE  11  -4.233  -1.730  12.093
  101   HD13  ILE  11          HD13      ILE  11  -5.320  -3.118  12.156
  102    H    ZAE   1           HN1      DPH   1 -10.611   4.822  -0.408
  103    HA   ZAE   1           HA       DPH   1  -8.826   3.871  -1.722
  104    HB2  ZAE   1           HB1      DPH   1 -11.575   2.670  -2.007
  105    HB3  ZAE   1           HB2      DPH   1 -10.922   4.095  -2.808
  106    HD1  ZAE   1           HD1      DPH   1  -9.111   3.806  -4.529
  107    HD2  ZAE   1           HD2      DPH   1 -11.299   0.534  -2.938
  108    HE1  ZAE   1           HE1      DPH   1  -8.393   2.397  -6.427
  109    HE2  ZAE   1           HE2      DPH   1 -10.595  -0.875  -4.819
  110    HZ   ZAE   1           HZ       DPH   1  -9.138   0.047  -6.568
  111    H11  ZAE   1          HN11      DPH   1 -10.861   2.085   0.621
  112    H12  ZAE   1          HN12      DPH   1 -12.111   3.077  -0.128
  113    H13  ZAE   1          HN13      DPH   1 -11.483   3.502   1.465
  114    HN2  ZAE   1           HN2      DPH   1  -9.406   4.101   0.550
  115    H    ILE   2           HN       ILE   2  -7.207   2.472  -1.641
  116    HA   ILE   2           HA       ILE   2  -7.684  -0.182  -0.487
  117    HB   ILE   2           HB       ILE   2  -7.706  -0.821  -2.716
  118   HG12  ILE   2          HG12      ILE   2  -4.823  -0.937  -1.920
  119   HG13  ILE   2          HG11      ILE   2  -6.056  -2.120  -1.535
  120   HG21  ILE   2          HG21      ILE   2  -7.294   1.111  -3.961
  121   HG22  ILE   2          HG22      ILE   2  -5.990   0.013  -4.433
  122   HG23  ILE   2          HG23      ILE   2  -5.684   1.321  -3.280
  123   HD11  ILE   2          HD11      ILE   2  -4.945  -1.464  -4.236
  124   HD12  ILE   2          HD12      ILE   2  -6.242  -2.618  -3.916
  125   HD13  ILE   2          HD13      ILE   2  -4.625  -2.910  -3.271
  126    H    SER   3           HN       SER   3  -6.014  -1.126   0.709
  127    HA   SER   3           HA       SER   3  -3.607   0.573   0.914
  128    HB2  SER   3           HB2      SER   3  -4.921  -0.890   3.203
  129    HB3  SER   3           HB1      SER   3  -3.501   0.147   3.297
  130    HG   SER   3           HG       SER   3  -6.120   0.985   2.543
  131    H    DAR   4           HN       DAR   4  -1.759  -0.439   1.866
  132    HA   DAR   4           HA       DAR   4  -1.534  -3.353   1.410
  133    HB2  DAR   4           HB1      DAR   4   0.237  -1.479   2.998
  134    HB3  DAR   4           HB2      DAR   4   0.502  -3.204   2.794
  135    HG2  DAR   4           HG1      DAR   4  -2.016  -2.159   4.016
  136    HG3  DAR   4           HG2      DAR   4  -0.545  -2.414   4.962
  137    HD2  DAR   4           HD1      DAR   4  -0.488  -4.749   4.065
  138    HD3  DAR   4           HD2      DAR   4  -2.080  -4.451   3.376
  139    HE   DAR   4           HE       DAR   4  -2.001  -3.856   6.147
  140   HH11  DAR   4          HH21      DAR   4  -3.480  -6.924   7.091
  141   HH12  DAR   4          HH22      DAR   4  -3.099  -5.248   7.616
  142   HH21  DAR   4          HH11      DAR   4  -3.044  -7.594   4.949
  143   HH22  DAR   4          HH12      DAR   4  -2.279  -6.454   3.785
  144    HA   28J   5           HA       28J   5   1.815  -2.392  -1.220
  145    H22  28J   5           HB       28J   5   0.413  -3.218  -3.589
  146    H23  28J   5          HG21      28J   5  -1.477  -1.712  -3.452
  147    H24  28J   5          HG22      28J   5  -1.035  -1.247  -1.810
  148    H25  28J   5          HG23      28J   5  -1.582  -2.892  -2.145
  149    H26  28J   5          HG11      28J   5   2.289  -1.499  -3.090
  150    H27  28J   5          HG12      28J   5   0.964  -0.426  -2.660
  151    H28  28J   5          HD11      28J   5   0.013  -0.822  -4.922
  152    H29  28J   5          HD12      28J   5   1.505  -1.674  -5.326
  153    H30  28J   5          HD13      28J   5   1.555   0.034  -4.887
  154    H    ILE   6           HN       ILE   6   3.508  -3.494  -2.113
  155    HA   ILE   6           HA       ILE   6   3.277  -6.437  -2.277
  156    HB   ILE   6           HB       ILE   6   3.369  -6.197  -4.569
  157   HG12  ILE   6          HG12      ILE   6   6.247  -5.578  -3.898
  158   HG13  ILE   6          HG11      ILE   6   5.580  -7.181  -4.071
  159   HG21  ILE   6          HG21      ILE   6   4.215  -4.277  -5.725
  160   HG22  ILE   6          HG22      ILE   6   4.896  -3.699  -4.204
  161   HG23  ILE   6          HG23      ILE   6   3.149  -3.763  -4.407
  162   HD11  ILE   6          HD11      ILE   6   6.645  -6.956  -6.060
  163   HD12  ILE   6          HD12      ILE   6   6.411  -5.233  -6.117
  164   HD13  ILE   6          HD13      ILE   6   5.093  -6.293  -6.507
  165    H    SER   7           HN       SER   7   4.976  -7.480  -1.553
  166    HA   SER   7           HA       SER   7   7.608  -6.264  -1.487
  167    HB2  SER   7           HB2      SER   7   6.133  -7.080   1.011
  168    HB3  SER   7           HB1      SER   7   7.855  -6.666   0.923
  169    HG   SER   7           HG       SER   7   6.063  -4.870  -0.169
  170    H    DTH   8           HN       DTC   8   9.023  -7.740  -0.072
  171    HA   DTH   8           HA       DTC   8   9.151 -10.322  -1.196
  172    HB   DTH   8           HB       DTC   8   9.223 -11.668   0.872
  173   HG21  DTH   8          HG21      DTC   8   6.810 -11.619   1.394
  174   HG22  DTH   8          HG22      DTC   8   7.069 -11.451  -0.347
  175   HG23  DTH   8          HG23      DTC   8   6.670 -10.038   0.630
  176    H    ALA   9           HN       ALA   9  10.472  -7.765   0.742
  177    HA   ALA   9           HA       ALA   9  13.012  -9.079   1.380
  178    HB1  ALA   9           HB1      ALA   9  12.191  -6.194   1.732
  179    HB2  ALA   9           HB2      ALA   9  12.995  -6.832   0.301
  180    HB3  ALA   9           HB3      ALA   9  13.809  -6.859   1.863
  181    H    LEU  10           HN       LEU  10  10.883  -6.830   2.814
  182    HA   LEU  10           HA       LEU  10  11.739  -7.265   5.516
  183    HB2  LEU  10           HB2      LEU  10   9.070  -6.059   5.033
  184    HB3  LEU  10           HB1      LEU  10  10.356  -5.542   6.106
  185    HG   LEU  10           HG       LEU  10  10.307  -3.840   4.528
  186   HD11  LEU  10          HD11      LEU  10  12.545  -4.468   4.732
  187   HD12  LEU  10          HD12      LEU  10  12.269  -4.263   3.002
  188   HD13  LEU  10          HD13      LEU  10  12.330  -5.882   3.698
  189   HD21  LEU  10          HD21      LEU  10   8.909  -4.338   2.803
  190   HD22  LEU  10          HD22      LEU  10   9.529  -5.978   2.624
  191   HD23  LEU  10          HD23      LEU  10  10.442  -4.615   1.975
  192    H    ILE  11           HN       ILE  11   9.918  -9.026   3.502
  193    HA   ILE  11           HA       ILE  11   9.118 -10.970   5.295
  194    HB   ILE  11           HB       ILE  11   7.505  -9.028   6.013
  195   HG12  ILE  11          HG12      ILE  11   5.606 -10.576   6.413
  196   HG13  ILE  11          HG11      ILE  11   6.316 -11.735   5.293
  197   HG21  ILE  11          HG21      ILE  11   6.816  -8.290   3.870
  198   HG22  ILE  11          HG22      ILE  11   5.412  -9.021   4.650
  199   HG23  ILE  11          HG23      ILE  11   6.297  -9.912   3.411
  200   HD11  ILE  11          HD11      ILE  11   8.182 -12.093   6.761
  201   HD12  ILE  11          HD12      ILE  11   6.690 -12.274   7.683
  202   HD13  ILE  11          HD13      ILE  11   7.645 -10.799   7.833
  203    H    ZAE   1           HN1      DPH   1   9.252  -4.441  -0.035
  204    HA   ZAE   1           HA       DPH   1   7.479  -3.812  -1.478
  205    HB2  ZAE   1           HB1      DPH   1  10.054  -2.358  -1.863
  206    HB3  ZAE   1           HB2      DPH   1   9.565  -3.900  -2.532
  207    HD1  ZAE   1           HD1      DPH   1   7.538  -3.824  -4.201
  208    HD2  ZAE   1           HD2      DPH   1   9.981  -0.486  -3.160
  209    HE1  ZAE   1           HE1      DPH   1   6.963  -2.738  -6.343
  210    HE2  ZAE   1           HE2      DPH   1   9.395   0.615  -5.279
  211    HZ   ZAE   1           HZ       DPH   1   7.882  -0.506  -6.875
  212    H11  ZAE   1          HN11      DPH   1   9.681  -1.568   0.185
  213    H12  ZAE   1          HN12      DPH   1  10.854  -2.850  -0.105
  214    H13  ZAE   1          HN13      DPH   1  10.157  -2.635   1.501
  215    HN2  ZAE   1           HN2      DPH   1   8.146  -3.509   0.866
  216    H    ILE   2           HN       ILE   2   5.760  -2.553  -1.651
  217    HA   ILE   2           HA       ILE   2   6.044   0.286  -1.040
  218    HB   ILE   2           HB       ILE   2   5.971   0.472  -3.328
  219   HG12  ILE   2          HG12      ILE   2   3.028   0.368  -2.734
  220   HG13  ILE   2          HG11      ILE   2   4.074   1.693  -2.247
  221   HG21  ILE   2          HG21      ILE   2   4.144  -1.926  -3.439
  222   HG22  ILE   2          HG22      ILE   2   5.793  -1.784  -4.056
  223   HG23  ILE   2          HG23      ILE   2   4.480  -0.902  -4.833
  224   HD11  ILE   2          HD11      ILE   2   3.453   0.800  -5.028
  225   HD12  ILE   2          HD12      ILE   2   4.569   2.095  -4.596
  226   HD13  ILE   2          HD13      ILE   2   2.853   2.247  -4.208
  227    H    SER   3           HN       SER   3   4.789   0.888   0.602
  228    HA   SER   3           HA       SER   3   2.242  -0.584   0.777
  229    HB2  SER   3           HB2      SER   3   4.123   0.225   2.966
  230    HB3  SER   3           HB1      SER   3   2.420  -0.099   3.283
  231    HG   SER   3           HG       SER   3   3.855  -2.004   1.823
  232    H    DAR   4           HN       DAR   4   0.446   0.361   1.285
  233    HA   DAR   4           HA       DAR   4   0.380   3.301   1.134
  234    HB2  DAR   4           HB1      DAR   4  -1.314   1.625   2.997
  235    HB3  DAR   4           HB2      DAR   4  -1.380   3.370   2.807
  236    HG2  DAR   4           HG1      DAR   4   1.063   1.923   3.770
  237    HG3  DAR   4           HG2      DAR   4  -0.194   2.555   4.838
  238    HD2  DAR   4           HD1      DAR   4   0.147   4.788   3.766
  239    HD3  DAR   4           HD2      DAR   4   1.538   4.100   2.931
  240    HE   DAR   4           HE       DAR   4   1.936   3.553   5.578
  241   HH11  DAR   4          HH21      DAR   4   3.333   6.622   6.616
  242   HH12  DAR   4          HH22      DAR   4   3.162   4.874   6.998
  243   HH21  DAR   4          HH11      DAR   4   2.423   7.482   4.697
  244   HH22  DAR   4          HH12      DAR   4   1.557   6.398   3.550
  245    HA   28J   5           HA       28J   5  -3.278   2.389  -1.078
  246    H22  28J   5           HB       28J   5  -2.226   3.049  -3.632
  247    H23  28J   5          HG21      28J   5  -0.015   2.918  -2.606
  248    H24  28J   5          HG22      28J   5  -0.276   1.577  -3.719
  249    H25  28J   5          HG23      28J   5  -0.391   1.312  -1.979
  250    H26  28J   5          HG11      28J   5  -3.886   1.241  -2.677
  251    H27  28J   5          HG12      28J   5  -2.429   0.257  -2.582
  252    H28  28J   5          HD11      28J   5  -3.514  -0.225  -4.633
  253    H29  28J   5          HD12      28J   5  -2.059   0.704  -4.999
  254    H30  28J   5          HD13      28J   5  -3.639   1.487  -5.034
  255    H    ILE   6           HN       ILE   6  -4.979   3.620  -1.801
  256    HA   ILE   6           HA       ILE   6  -4.550   6.531  -1.998
  257    HB   ILE   6           HB       ILE   6  -4.712   6.133  -4.312
  258   HG12  ILE   6          HG12      ILE   6  -7.624   6.359  -3.552
  259   HG13  ILE   6          HG11      ILE   6  -6.517   7.716  -3.498
  260   HG21  ILE   6          HG21      ILE   6  -5.176   3.776  -4.192
  261   HG22  ILE   6          HG22      ILE   6  -6.262   4.597  -5.315
  262   HG23  ILE   6          HG23      ILE   6  -6.840   4.130  -3.722
  263   HD11  ILE   6          HD11      ILE   6  -6.162   7.095  -6.000
  264   HD12  ILE   6          HD12      ILE   6  -7.533   8.035  -5.498
  265   HD13  ILE   6          HD13      ILE   6  -7.731   6.339  -5.822
  266    H    SER   7           HN       SER   7  -6.054   7.684  -1.120
  267    HA   SER   7           HA       SER   7  -8.765   6.712  -0.823
  268    HB2  SER   7           HB2      SER   7  -6.958   7.197   1.530
  269    HB3  SER   7           HB1      SER   7  -8.720   7.112   1.633
  270    HG   SER   7           HG       SER   7  -7.412   5.062   0.324
  271    H    DTH   8           HN       DTC   8  -9.992   8.320   0.705
  272    HA   DTH   8           HA       DTC   8  -9.659  10.869  -0.502
  273    HB   DTH   8           HB       DTC   8  -9.873  12.068   1.725
  274   HG21  DTH   8          HG21      DTC   8  -7.726  11.589   0.422
  275   HG22  DTH   8          HG22      DTC   8  -7.400  10.324   1.611
  276   HG23  DTH   8          HG23      DTC   8  -7.549  12.005   2.123
  277    H    ALA   9           HN       ALA   9 -11.190   8.801   1.920
  278    HA   ALA   9           HA       ALA   9 -13.681  10.356   1.979
  279    HB1  ALA   9           HB1      ALA   9 -14.873   8.048   2.259
  280    HB2  ALA   9           HB2      ALA   9 -13.489   7.431   1.357
  281    HB3  ALA   9           HB3      ALA   9 -14.527   8.660   0.640
  282    H    LEU  10           HN       LEU  10 -11.952   7.623   3.296
  283    HA   LEU  10           HA       LEU  10 -13.225   7.751   5.817
  284    HB2  LEU  10           HB2      LEU  10 -10.567   6.483   5.190
  285    HB3  LEU  10           HB1      LEU  10 -11.644   6.085   6.510
  286    HG   LEU  10           HG       LEU  10 -11.871   4.294   5.060
  287   HD11  LEU  10          HD11      LEU  10 -14.008   5.171   5.751
  288   HD12  LEU  10          HD12      LEU  10 -14.106   4.398   4.170
  289   HD13  LEU  10          HD13      LEU  10 -14.096   6.158   4.292
  290   HD21  LEU  10          HD21      LEU  10 -12.577   4.955   2.539
  291   HD22  LEU  10          HD22      LEU  10 -10.937   4.542   3.037
  292   HD23  LEU  10          HD23      LEU  10 -11.416   6.235   2.894
  293    H    ILE  11           HN       ILE  11 -10.654   9.091   4.173
  294    HA   ILE  11           HA       ILE  11 -10.143  11.135   6.066
  295    HB   ILE  11           HB       ILE  11  -8.623   9.292   6.872
  296   HG12  ILE  11          HG12      ILE  11  -6.660  10.698   7.116
  297   HG13  ILE  11          HG11      ILE  11  -7.143  11.678   5.734
  298   HG21  ILE  11          HG21      ILE  11  -7.409   9.717   4.145
  299   HG22  ILE  11          HG22      ILE  11  -8.126   8.237   4.779
  300   HG23  ILE  11          HG23      ILE  11  -6.617   8.845   5.458
  301   HD11  ILE  11          HD11      ILE  11  -7.609  12.830   7.803
  302   HD12  ILE  11          HD12      ILE  11  -8.588  11.476   8.364
  303   HD13  ILE  11          HD13      ILE  11  -9.114  12.430   6.978
  304    H    ZAE   1           HN1      DPH   1  -9.213  14.736  -3.791
  305    HA   ZAE   1           HA       DPH   1  -7.296  13.751  -4.683
  306    HB2  ZAE   1           HB1      DPH   1  -9.819  12.456  -5.722
  307    HB3  ZAE   1           HB2      DPH   1  -9.014  13.895  -6.334
  308    HD1  ZAE   1           HD1      DPH   1  -6.701  13.610  -7.409
  309    HD2  ZAE   1           HD2      DPH   1  -9.332  10.344  -6.586
  310    HE1  ZAE   1           HE1      DPH   1  -5.475  12.210  -9.036
  311    HE2  ZAE   1           HE2      DPH   1  -8.109   8.944  -8.208
  312    HZ   ZAE   1           HZ       DPH   1  -6.178   9.874  -9.434
  313    H11  ZAE   1          HN11      DPH   1 -10.224  12.004  -3.431
  314    H12  ZAE   1          HN12      DPH   1 -10.918  13.304  -4.401
  315    H13  ZAE   1          HN13      DPH   1 -10.934  13.415  -2.639
  316    HN2  ZAE   1           HN2      DPH   1  -8.605  13.715  -2.585
  317    H    ILE   2           HN       ILE   2  -5.737  12.365  -4.245
  318    HA   ILE   2           HA       ILE   2  -6.492   9.697  -3.259
  319    HB   ILE   2           HB       ILE   2  -5.757   9.093  -5.348
  320   HG12  ILE   2          HG12      ILE   2  -3.174   9.223  -3.813
  321   HG13  ILE   2          HG11      ILE   2  -4.391   7.974  -3.618
  322   HG21  ILE   2          HG21      ILE   2  -3.960  10.157  -6.653
  323   HG22  ILE   2          HG22      ILE   2  -3.647  11.278  -5.328
  324   HG23  ILE   2          HG23      ILE   2  -5.189  11.332  -6.178
  325   HD11  ILE   2          HD11      ILE   2  -3.994   7.400  -6.005
  326   HD12  ILE   2          HD12      ILE   2  -2.634   7.121  -4.917
  327   HD13  ILE   2          HD13      ILE   2  -2.640   8.537  -5.971
  328    H    SER   3           HN       SER   3  -5.909   9.575  -1.111
  329    HA   SER   3           HA       SER   3  -3.296  10.741  -0.424
  330    HB2  SER   3           HB2      SER   3  -5.725  10.164   1.255
  331    HB3  SER   3           HB1      SER   3  -4.148  10.485   1.972
  332    HG   SER   3           HG       SER   3  -4.742  12.362   0.123
  333    H    DAR   4           HN       DAR   4  -1.765   9.682   0.631
  334    HA   DAR   4           HA       DAR   4  -1.892   6.742   0.707
  335    HB2  DAR   4           HB1      DAR   4  -0.741   8.604   2.795
  336    HB3  DAR   4           HB2      DAR   4  -0.426   6.877   2.739
  337    HG2  DAR   4           HG1      DAR   4  -3.105   8.167   3.129
  338    HG3  DAR   4           HG2      DAR   4  -2.119   7.377   4.366
  339    HD2  DAR   4           HD1      DAR   4  -2.211   5.298   3.006
  340    HD3  DAR   4           HD2      DAR   4  -3.340   6.114   1.928
  341    HE   DAR   4           HE       DAR   4  -4.422   6.386   4.410
  342   HH11  DAR   4          HH21      DAR   4  -5.977   3.237   4.744
  343   HH12  DAR   4          HH22      DAR   4  -5.948   4.937   5.328
  344   HH21  DAR   4          HH11      DAR   4  -4.577   2.568   3.057
  345   HH22  DAR   4          HH12      DAR   4  -3.458   3.756   2.296
  346    HA   28J   5           HA       28J   5   2.216   7.449  -0.689
  347    H22  28J   5           HB       28J   5   2.041   6.445  -3.276
  348    H23  28J   5          HG21      28J   5  -0.494   7.895  -2.518
  349    H24  28J   5          HG22      28J   5  -0.372   6.219  -3.053
  350    H25  28J   5          HG23      28J   5   0.015   7.533  -4.166
  351    H26  28J   5          HG11      28J   5   1.907   9.157  -2.001
  352    H27  28J   5          HG12      28J   5   1.787   8.995  -3.750
  353    H28  28J   5          HD11      28J   5   3.953   7.945  -3.838
  354    H29  28J   5          HD12      28J   5   4.074   7.995  -2.079
  355    H30  28J   5          HD13      28J   5   4.057   9.496  -3.006
  356    H    ILE   6           HN       ILE   6   4.104   6.231  -1.146
  357    HA   ILE   6           HA       ILE   6   3.790   3.291  -0.963
  358    HB   ILE   6           HB       ILE   6   4.737   3.530  -3.133
  359   HG12  ILE   6          HG12      ILE   6   7.223   3.394  -1.403
  360   HG13  ILE   6          HG11      ILE   6   6.133   2.042  -1.606
  361   HG21  ILE   6          HG21      ILE   6   6.539   5.055  -3.677
  362   HG22  ILE   6          HG22      ILE   6   6.595   5.573  -1.989
  363   HG23  ILE   6          HG23      ILE   6   5.177   5.933  -2.969
  364   HD11  ILE   6          HD11      ILE   6   7.962   1.657  -3.027
  365   HD12  ILE   6          HD12      ILE   6   7.926   3.297  -3.631
  366   HD13  ILE   6          HD13      ILE   6   6.659   2.195  -4.077
  367    H    SER   7           HN       SER   7   4.906   2.290   0.482
  368    HA   SER   7           HA       SER   7   7.338   3.461   1.638
  369    HB2  SER   7           HB2      SER   7   4.943   2.649   3.291
  370    HB3  SER   7           HB1      SER   7   6.518   3.165   3.914
  371    HG   SER   7           HG       SER   7   5.710   4.969   2.196
  372    H    DTH   8           HN       DTC   8   8.457   1.994   3.122
  373    HA   DTH   8           HA       DTC   8   8.520  -0.608   2.126
  374    HB   DTH   8           HB       DTC   8   8.329  -1.768   4.364
  375   HG21  DTH   8          HG21      DTC   8   5.802  -1.808   4.197
  376   HG22  DTH   8          HG22      DTC   8   6.635  -2.014   2.655
  377   HG23  DTH   8          HG23      DTC   8   5.917  -0.460   3.069
  378    H    ALA   9           HN       ALA   9   9.192   1.423   4.904
  379    HA   ALA   9           HA       ALA   9  11.786   0.259   5.682
  380    HB1  ALA   9           HB1      ALA   9  12.130   2.408   4.484
  381    HB2  ALA   9           HB2      ALA   9  12.777   2.317   6.126
  382    HB3  ALA   9           HB3      ALA   9  11.264   3.170   5.825
  383    H    LEU  10           HN       LEU  10   9.290   2.384   6.584
  384    HA   LEU  10           HA       LEU  10   9.837   2.215   9.414
  385    HB2  LEU  10           HB2      LEU  10   7.562   3.622   7.954
  386    HB3  LEU  10           HB1      LEU  10   7.896   3.735   9.656
  387    HG   LEU  10           HG       LEU  10   9.526   5.304   9.394
  388   HD11  LEU  10          HD11      LEU  10  10.202   5.362   6.641
  389   HD12  LEU  10          HD12      LEU  10  10.418   3.737   7.280
  390   HD13  LEU  10          HD13      LEU  10  11.232   5.098   8.052
  391   HD21  LEU  10          HD21      LEU  10   8.843   6.849   7.419
  392   HD22  LEU  10          HD22      LEU  10   7.740   6.569   8.766
  393   HD23  LEU  10          HD23      LEU  10   7.506   5.709   7.245
  394    H    ILE  11           HN       ILE  11   7.833   1.206   6.957
  395    HA   ILE  11           HA       ILE  11   6.392  -0.789   8.445
  396    HB   ILE  11           HB       ILE  11   4.953   1.352   8.313
  397   HG12  ILE  11          HG12      ILE  11   2.886   0.192   7.636
  398   HG13  ILE  11          HG11      ILE  11   3.831  -1.092   6.892
  399   HG21  ILE  11          HG21      ILE  11   5.671   2.051   6.131
  400   HG22  ILE  11          HG22      ILE  11   3.925   1.793   6.132
  401   HG23  ILE  11          HG23      ILE  11   4.994   0.591   5.408
  402   HD11  ILE  11          HD11      ILE  11   2.877  -1.675   9.107
  403   HD12  ILE  11          HD12      ILE  11   3.895  -0.433   9.834
  404   HD13  ILE  11          HD13      ILE  11   4.633  -1.819   9.032
  405    H1   ALA   1           HN       ALA   1 -12.494 -12.943   2.373
  406    HA   ALA   1           HA       ALA   1 -13.415 -15.457   1.528
  407    HB1  ALA   1           HB1      ALA   1 -11.056 -16.098   1.453
  408    HB2  ALA   1           HB2      ALA   1 -11.933 -17.021   2.698
  409    HB3  ALA   1           HB3      ALA   1 -10.874 -15.676   3.158
  410    H    DGL   2           HN       DGL   2 -13.391 -16.963   3.910
  411    HA   DGL   2           HA       DGL   2 -13.887 -16.772   6.056
  412    HB2  DGL   2           HB1      DGL   2 -16.085 -15.363   6.487
  413    HB3  DGL   2           HB2      DGL   2 -16.120 -16.752   5.447
  414    HG2  DGL   2           HG1      DGL   2 -16.942 -15.418   3.665
  415    HG3  DGL   2           HG2      DGL   2 -15.551 -14.338   3.752
  416    H    LYS   3           HN       LYS   3 -16.321 -13.639   6.608
  417    HA   LYS   3           HA       LYS   3 -17.416 -12.161   7.736
  418    HB2  LYS   3           HB2      LYS   3 -16.476 -10.925   5.687
  419    HB3  LYS   3           HB1      LYS   3 -18.183 -10.568   5.370
  420    HG2  LYS   3           HG2      LYS   3 -17.729 -10.272   8.177
  421    HG3  LYS   3           HG1      LYS   3 -16.419  -9.442   7.347
  422    HD2  LYS   3           HD2      LYS   3 -18.094  -7.747   7.768
  423    HD3  LYS   3           HD1      LYS   3 -18.017  -8.153   6.093
  424    HE2  LYS   3           HE2      LYS   3 -20.327  -7.649   6.902
  425    HE3  LYS   3           HE1      LYS   3 -19.932  -9.253   5.913
  426    HZ1  LYS   3           HZ1      LYS   3 -21.856  -9.085   7.826
  427    HZ2  LYS   3           HZ2      LYS   3 -20.514  -9.641   8.606
  428    HZ3  LYS   3           HZ3      LYS   3 -21.001 -10.406   7.212
  429    H    DAL   4           HN       DAL   4 -18.558 -14.103   8.015
  430    HA   DAL   4           HA       DAL   4 -20.637 -15.379   8.870
  431    HB1  DAL   4           HB1      DAL   4 -22.247 -14.163   6.799
  432    HB2  DAL   4           HB2      DAL   4 -22.726 -15.406   7.954
  433    HB3  DAL   4           HB3      DAL   4 -21.484 -15.788   6.664
  434    H    DAL   5           HN       DAL   5 -18.890 -13.267  10.021
  435    HA   DAL   5           HA       DAL   5 -18.741 -11.695  12.068
  436    HB1  DAL   5           HB1      DAL   5 -21.341 -13.053  12.189
  437    HB2  DAL   5           HB2      DAL   5 -20.569 -12.257  13.562
  438    HB3  DAL   5           HB3      DAL   5 -19.946 -13.766  12.893
  439    H1   ALA   1           HN       ALA   1  19.735  -3.208  -1.539
  440    HA   ALA   1           HA       ALA   1  22.383  -3.507  -2.444
  441    HB1  ALA   1           HB1      ALA   1  21.631  -5.764  -3.119
  442    HB2  ALA   1           HB2      ALA   1  22.179  -4.778  -4.496
  443    HB3  ALA   1           HB3      ALA   1  20.449  -5.025  -4.203
  444    H    DGL   2           HN       DGL   2  21.868  -3.201  -5.334
  445    HA   DGL   2           HA       DGL   2  20.806  -1.797  -6.693
  446    HB2  DGL   2           HB1      DGL   2  20.990   0.751  -5.732
  447    HB3  DGL   2           HB2      DGL   2  22.320  -0.105  -6.453
  448    HG2  DGL   2           HG1      DGL   2  23.547  -0.073  -4.416
  449    HG3  DGL   2           HG2      DGL   2  22.179  -0.644  -3.463
  450    H    LYS   3           HN       LYS   3  20.382   1.386  -3.623
  451    HA   LYS   3           HA       LYS   3  19.781   3.221  -2.655
  452    HB2  LYS   3           HB2      LYS   3  21.790   2.368  -1.134
  453    HB3  LYS   3           HB1      LYS   3  22.290   4.043  -1.425
  454    HG2  LYS   3           HG2      LYS   3  19.590   3.110  -0.413
  455    HG3  LYS   3           HG1      LYS   3  20.840   3.892   0.545
  456    HD2  LYS   3           HD2      LYS   3  20.267   6.026  -0.091
  457    HD3  LYS   3           HD1      LYS   3  20.035   5.473  -1.710
  458    HE2  LYS   3           HE1      LYS   3  17.892   5.464   0.337
  459    HE3  LYS   3           HE2      LYS   3  18.096   6.343  -1.365
  460    HZ1  LYS   3           HZ1      LYS   3  17.329   3.526  -1.346
  461    HZ2  LYS   3           HZ2      LYS   3  17.023   4.788  -2.469
  462    HZ3  LYS   3           HZ3      LYS   3  16.232   4.758  -0.980
  463    H    DAL   4           HN       DAL   4  20.829   3.011  -5.213
  464    HA   DAL   4           HA       DAL   4  21.036   4.278  -7.457
  465    HB1  DAL   4           HB1      DAL   4  22.315   6.502  -6.133
  466    HB2  DAL   4           HB2      DAL   4  22.085   6.241  -7.861
  467    HB3  DAL   4           HB3      DAL   4  23.214   5.155  -6.915
  468    H    DAL   5           HN       DAL   5  18.694   3.307  -6.247
  469    HA   DAL   5           HA       DAL   5  16.135   3.563  -6.167
  470    HB1  DAL   5           HB1      DAL   5  17.349   5.578  -7.912
  471    HB2  DAL   5           HB2      DAL   5  15.594   5.503  -7.755
  472    HB3  DAL   5           HB3      DAL   5  16.516   4.196  -8.501
  473    H1   ALA   1           HN       ALA   1 -20.846   5.315   2.283
  474    HA   ALA   1           HA       ALA   1 -22.864   5.621   4.212
  475    HB1  ALA   1           HB1      ALA   1 -23.625   7.878   3.901
  476    HB2  ALA   1           HB2      ALA   1 -22.264   8.247   2.814
  477    HB3  ALA   1           HB3      ALA   1 -21.974   7.888   4.524
  478    H    DGL   2           HN       DGL   2 -21.843   4.554   1.430
  479    HA   DGL   2           HA       DGL   2 -23.004   3.743  -0.262
  480    HB2  DGL   2           HB1      DGL   2 -24.372   6.442  -0.221
  481    HB3  DGL   2           HB2      DGL   2 -24.609   5.278  -1.489
  482    HG2  DGL   2           HG1      DGL   2 -22.852   6.366  -2.668
  483    HG3  DGL   2           HG2      DGL   2 -21.712   5.732  -1.483
  484    H    LYS   3           HN       LYS   3 -23.498   7.589   0.432
  485    HA   LYS   3           HA       LYS   3 -23.331   9.506   1.405
  486    HB2  LYS   3           HB2      LYS   3 -20.943   8.689   1.352
  487    HB3  LYS   3           HB1      LYS   3 -20.643  10.056   0.264
  488    HG2  LYS   3           HG2      LYS   3 -22.326  10.920   2.437
  489    HG3  LYS   3           HG1      LYS   3 -20.944  10.059   3.105
  490    HD2  LYS   3           HD2      LYS   3 -20.192  12.310   3.131
  491    HD3  LYS   3           HD1      LYS   3 -19.486  11.528   1.764
  492    HE2  LYS   3           HE1      LYS   3 -20.062  13.876   1.291
  493    HE3  LYS   3           HE2      LYS   3 -20.757  12.472   0.169
  494    HZ1  LYS   3           HZ1      LYS   3 -22.078  14.831   0.897
  495    HZ2  LYS   3           HZ2      LYS   3 -22.727  13.544   1.694
  496    HZ3  LYS   3           HZ3      LYS   3 -22.526  13.441   0.046
  497    H    DAL   4           HN       DAL   4 -25.078   9.726   0.077
  498    HA   DAL   4           HA       DAL   4 -26.916  11.245  -0.888
  499    HB1  DAL   4           HB1      DAL   4 -25.134  11.850  -3.078
  500    HB2  DAL   4           HB2      DAL   4 -26.851  12.224  -2.930
  501    HB3  DAL   4           HB3      DAL   4 -26.305  10.484  -3.086
  502    H    DAL   5           HN       DAL   5 -26.702  11.920   1.519
  503    HA   DAL   5           HA       DAL   5 -26.551  13.700   3.378
  504    HB1  DAL   5           HB1      DAL   5 -26.709  14.938   0.724
  505    HB2  DAL   5           HB2      DAL   5 -26.788  15.924   2.183
  506    HB3  DAL   5           HB3      DAL   5 -28.066  14.783   1.767
  507    H1   ALA   1           HN       ALA   1  15.453   9.978   8.008
  508    HA   ALA   1           HA       ALA   1  17.586   9.913   9.835
  509    HB1  ALA   1           HB1      ALA   1  17.262   7.460   9.723
  510    HB2  ALA   1           HB2      ALA   1  18.882   7.975   9.195
  511    HB3  ALA   1           HB3      ALA   1  17.657   7.512   8.003
  512    H    DGL   2           HN       DGL   2  19.670   8.993   7.911
  513    HA   DGL   2           HA       DGL   2  20.433   9.596   5.910
  514    HB2  DGL   2           HB1      DGL   2  20.469  12.252   5.614
  515    HB3  DGL   2           HB2      DGL   2  21.436  11.456   6.818
  516    HG2  DGL   2           HG1      DGL   2  20.333  12.631   8.568
  517    HG3  DGL   2           HG2      DGL   2  18.732  12.194   7.976
  518    H    LYS   3           HN       LYS   3  19.247  13.523   5.349
  519    HA   LYS   3           HA       LYS   3  19.103  15.416   4.310
  520    HB2  LYS   3           HB2      LYS   3  17.006  15.129   5.802
  521    HB3  LYS   3           HB1      LYS   3  17.525  16.698   6.443
  522    HG2  LYS   3           HG2      LYS   3  15.987  16.712   4.376
  523    HG3  LYS   3           HG1      LYS   3  17.388  17.777   4.389
  524    HD2  LYS   3           HD2      LYS   3  17.100  16.717   2.139
  525    HD3  LYS   3           HD1      LYS   3  18.588  16.407   2.957
  526    HE2  LYS   3           HE1      LYS   3  16.979  14.172   3.522
  527    HE3  LYS   3           HE2      LYS   3  17.244  14.579   1.657
  528    HZ1  LYS   3           HZ1      LYS   3  18.930  13.000   3.418
  529    HZ2  LYS   3           HZ2      LYS   3  19.712  14.177   2.446
  530    HZ3  LYS   3           HZ3      LYS   3  18.643  13.074   1.754
  531    H    DAL   4           HN       DAL   4  21.286  15.324   4.551
  532    HA   DAL   4           HA       DAL   4  23.479  16.928   5.590
  533    HB1  DAL   4           HB1      DAL   4  22.148  19.086   4.205
  534    HB2  DAL   4           HB2      DAL   4  23.780  19.045   4.872
  535    HB3  DAL   4           HB3      DAL   4  22.336  19.017   5.994
  536    H    DAL   5           HN       DAL   5  23.018  14.389   4.552
  537    HA   DAL   5           HA       DAL   5  24.116  12.592   2.897
  538    HB1  DAL   5           HB1      DAL   5  25.279  15.038   1.809
  539    HB2  DAL   5           HB2      DAL   5  26.094  13.578   2.372
  540    HB3  DAL   5           HB3      DAL   5  25.655  14.875   3.492
  541    H12  P1W 103           H12      TPL  10 -10.041  -5.406   4.478
  542    H11  P1W 103           H11      TPL  10 -10.016  -6.574   3.161
  543    H2   P1W 103           H2       TPL  10  -8.903  -4.000   2.251
  544    H43  P1W 103           H42      TPL  10 -10.847  -3.194   0.243
  545    H42  P1W 103           H41      TPL  10 -12.269  -2.613   1.117
  546    H51  P1W 103           H51      TPL  10 -12.442  -3.806   3.843
  547    H52  P1W 103           H52      TPL  10 -12.317  -5.416   3.140
  548    H53  P1W 103           H53      TPL  10 -13.162  -4.138   2.263
  549    H12  P1W 104           H12      TPL  11  -9.663  -1.899   2.321
  550    H11  P1W 104           H11      TPL  11  -9.977  -1.153   0.750
  551    H2   P1W 104           H2       TPL  11 -12.347  -1.011   2.498
  552    H43  P1W 104           H42      TPL  11 -11.334   2.276   4.037
  553    H42  P1W 104           H41      TPL  11 -12.557   1.978   2.805
  554    H51  P1W 104           H51      TPL  11  -8.903   0.200   2.506
  555    H52  P1W 104           H52      TPL  11  -9.229   1.233   3.899
  556    H53  P1W 104           H53      TPL  11  -9.408   1.871   2.264
  557    H12  P1W 105           H12      TPL  11  10.252  -7.506  -7.902
  558    H11  P1W 105           H11      TPL  11   8.968  -6.439  -8.455
  559    H2   P1W 105           H2       TPL  11  11.291  -5.295  -6.873
  560    H43  P1W 105           H42      TPL  11  11.982  -3.182  -9.890
  561    H42  P1W 105           H41      TPL  11  11.831  -2.997  -8.140
  562    H51  P1W 105           H51      TPL  11  11.032  -4.607 -11.019
  563    H52  P1W 105           H52      TPL  11   9.534  -5.230 -10.325
  564    H53  P1W 105           H53      TPL  11  10.942  -6.281 -10.480
  565    H12  P1W 106           H12      TPL  12 -13.836   1.089   4.414
  566    H11  P1W 106           H11      TPL  12 -12.688  -0.244   4.528
  567    H2   P1W 106           H2       TPL  12 -11.831   2.162   6.019
  568    H43  P1W 106           H43      TPL  12 -13.298   1.283   9.167
  569    H41  P1W 106           H41      TPL  12 -11.984   2.197   8.417
  570    H42  P1W 106           H42      TPL  12 -11.719   0.533   8.934
  571    H51  P1W 106           H51      TPL  12 -13.863  -0.875   8.165
  572    H52  P1W 106           H52      TPL  12 -13.558  -1.194   6.462
  573    H53  P1W 106           H53      TPL  12 -14.862  -0.103   6.928
  574    H12  P1W 107           H12      TPL  12  13.578  -4.676  -7.803
  575    H11  P1W 107           H11      TPL  12  13.721  -4.907  -9.543
  576    H2   P1W 107           H2       TPL  12  14.219  -2.197  -8.256
  577    H43  P1W 107           H43      TPL  12  17.597  -2.217  -9.390
  578    H41  P1W 107           H41      TPL  12  16.293  -1.129  -8.898
  579    H42  P1W 107           H42      TPL  12  16.578  -1.452 -10.608
  580    H51  P1W 107           H51      TPL  12  17.035  -4.075 -10.806
  581    H52  P1W 107           H52      TPL  12  15.351  -4.412 -11.193
  582    H53  P1W 107           H53      TPL  12  16.091  -5.157  -9.777
  583    H12  P1W 103           H12      TPL  10  11.986  -5.585  -3.438
  584    H11  P1W 103           H11      TPL  10  11.111  -4.073  -3.172
  585    H2   P1W 103           H2       TPL  10   9.384  -4.686  -4.667
  586    H43  P1W 103           H42      TPL  10   8.521  -7.617  -6.287
  587    H42  P1W 103           H41      TPL  10   8.359  -5.865  -6.250
  588    H51  P1W 103           H51      TPL  10  10.561  -8.656  -5.632
  589    H52  P1W 103           H52      TPL  10  10.654  -8.246  -3.920
  590    H53  P1W 103           H53      TPL  10  11.918  -7.697  -5.021
  591    H12  P1W 103           H12      TPL  10  -9.716   8.241  -2.445
  592    H11  P1W 103           H11      TPL  10 -10.899   8.962  -1.346
  593    H2   P1W 103           H2       TPL  10 -12.650   8.816  -3.001
  594    H43  P1W 103           H42      TPL  10 -13.338   7.639  -5.596
  595    H42  P1W 103           H41      TPL  10 -13.061   9.350  -5.313
  596    H51  P1W 103           H51      TPL  10  -9.666   8.030  -5.701
  597    H52  P1W 103           H52      TPL  10 -10.710   6.636  -5.961
  598    H53  P1W 103           H53      TPL  10  -9.796   6.775  -4.459
  599    H12  P1W 103           H12      TPL  10   9.110   5.899   2.401
  600    H11  P1W 103           H11      TPL  10   7.460   5.559   1.853
  601    H2   P1W 103           H2       TPL  10   9.071   3.596   0.772
  602    H43  P1W 103           H42      TPL  10  11.162   3.719  -0.982
  603    H42  P1W 103           H41      TPL  10   9.523   3.552  -1.613
  604    H51  P1W 103           H51      TPL  10  10.179   7.170   0.509
  605    H52  P1W 103           H52      TPL  10   9.440   7.160  -1.090
  606    H53  P1W 103           H53      TPL  10  11.146   6.742  -0.912
  607    H12  P1W 104           H12      TPL  11 -11.011   8.337  -7.044
  608    H11  P1W 104           H11      TPL  11 -12.587   7.890  -7.680
  609    H2   P1W 104           H2       TPL  11 -12.734  10.668  -6.875
  610    H43  P1W 104           H42      TPL  11 -12.375  11.800 -10.279
  611    H42  P1W 104           H41      TPL  11 -12.838  12.311  -8.658
  612    H51  P1W 104           H51      TPL  11  -9.993   9.698  -9.525
  613    H52  P1W 104           H52      TPL  11 -11.281   9.842 -10.722
  614    H53  P1W 104           H53      TPL  11 -11.305   8.525  -9.550
  615    H12  P1W 105           H12      TPL  11  10.391   6.010  -2.552
  616    H11  P1W 105           H11      TPL  11  11.783   4.947  -2.738
  617    H2   P1W 105           H2       TPL  11   9.964   3.257  -3.740
  618    H43  P1W 105           H42      TPL  11   7.871   3.736  -5.568
  619    H42  P1W 105           H41      TPL  11   8.395   5.045  -6.628
  620    H51  P1W 105           H51      TPL  11   8.735   6.778  -3.805
  621    H52  P1W 105           H52      TPL  11   8.596   6.793  -5.562
  622    H53  P1W 105           H53      TPL  11  10.173   6.972  -4.799
  623    H12  P1W 106           H12      TPL  12 -10.682  13.061  -8.147
  624    H11  P1W 106           H11      TPL  12  -9.931  12.118  -9.431
  625    H2   P1W 106           H2       TPL  12 -11.845  13.998 -10.568
  626    H43  P1W 106           H43      TPL  12  -9.573  15.737 -12.223
  627    H41  P1W 106           H41      TPL  12  -9.633  16.842 -10.844
  628    H42  P1W 106           H42      TPL  12 -11.119  16.126 -11.467
  629    H51  P1W 106           H51      TPL  12  -8.076  13.732  -9.920
  630    H52  P1W 106           H52      TPL  12  -8.632  14.771  -8.613
  631    H53  P1W 106           H53      TPL  12  -7.889  15.485 -10.042
  632    H12  P1W 107           H12      TPL  12  10.456   3.917  -7.131
  633    H11  P1W 107           H11      TPL  12  10.168   2.701  -5.889
  634    H2   P1W 107           H2       TPL  12   8.047   2.064  -7.268
  635    H43  P1W 107           H43      TPL  12   9.016   0.257  -9.769
  636    H41  P1W 107           H41      TPL  12   8.762   1.643 -10.838
  637    H42  P1W 107           H42      TPL  12   7.597   1.284  -9.565
  638    H51  P1W 107           H51      TPL  12  10.716   3.759  -9.464
  639    H52  P1W 107           H52      TPL  12  10.898   2.273 -10.390
  640    H53  P1W 107           H53      TPL  12  11.564   2.377  -8.761
  641    H1   MUB 101           H1       NAM   6  -8.647 -11.102   4.022
  642    H2   MUB 101           H2       NAM   6  -8.969 -11.122   1.859
  643    HN2  MUB 101           HN2      NAM   6  -8.418  -9.108   0.903
  644    H81  MUB 101           H81      NAM   6 -10.621  -6.305   0.411
  645    H82  MUB 101           H82      NAM   6  -9.621  -7.347  -0.592
  646    H83  MUB 101           H83      NAM   6  -8.894  -6.561   0.803
  647    H3   MUB 101           H3       NAM   6 -11.700  -9.644   2.377
  648    H9   MUB 101           H9       NAM   6 -10.422 -12.297   1.453
  649   H111  MUB 101          H111      NAM   6 -10.002 -11.354  -1.454
  650   H112  MUB 101          H112      NAM   6  -9.333 -12.839  -0.833
  651   H113  MUB 101          H113      NAM   6  -8.896 -11.395  -0.003
  652    H4A  MUB 101           H4       NAM   6 -11.350 -12.578   3.122
  653    H5   MUB 101           H5       NAM   6 -11.947 -10.702   5.321
  654    H61  MUB 101           H61      NAM   6 -11.096 -12.906   5.653
  655    H62  MUB 101           H62      NAM   6 -10.109 -11.730   6.593
  656    HO6  MUB 101           HO6      NAM   6  -8.690 -13.101   5.357
  657    H1   NAG 102           H1       NAG   7 -13.365  -9.939   2.527
  658    H2   NAG 102           H2       NAG   7 -15.727 -11.603   3.829
  659    H3   NAG 102           H3       NAG   7 -15.753  -8.892   2.264
  660    H4   NAG 102           H4       NAG   7 -16.363  -9.208   5.186
  661    H5   NAG 102           H5       NAG   7 -13.717  -7.992   3.868
  662    H61  NAG 102           H61      NAG   7 -14.471  -7.042   6.077
  663    H62  NAG 102           H62      NAG   7 -12.816  -7.569   5.870
  664    H81  NAG 102           H81      NAG   7 -16.379 -12.127  -0.611
  665    H82  NAG 102           H82      NAG   7 -14.762 -12.803  -0.468
  666    H83  NAG 102           H83      NAG   7 -14.990 -11.327  -1.402
  667    HN2  NAG 102           HN2      NAG   7 -15.753 -12.497   1.966
  668    HO3  NAG 102           HO3      NAG   7 -17.563 -10.572   3.628
  669    HO4  NAG 102           HO4      NAG   7 -17.156  -7.512   3.939
  670    HO6  NAG 102           HO6      NAG   7 -14.057  -9.673   6.706
  671    H1   MUB 101           H1       NAM   6  16.002  -6.738  -2.209
  672    H2   MUB 101           H2       NAM   6  17.402  -6.675  -0.523
  673    HN2  MUB 101           HN2      NAM   6  16.542  -6.914   1.499
  674    H81  MUB 101           H81      NAM   6  15.149  -4.337   3.642
  675    H82  MUB 101           H82      NAM   6  16.270  -5.687   3.732
  676    H83  MUB 101           H83      NAM   6  14.622  -5.989   3.197
  677    H3   MUB 101           H3       NAM   6  16.526  -3.674  -0.052
  678    H9   MUB 101           H9       NAM   6  18.846  -5.598  -0.672
  679   H111  MUB 101          H111      NAM   6  19.600  -5.929   2.296
  680   H112  MUB 101          H112      NAM   6  20.316  -6.899   1.036
  681   H113  MUB 101          H113      NAM   6  18.599  -6.943   1.155
  682    H4A  MUB 101           H4       NAM   6  18.452  -4.515  -2.299
  683    H5   MUB 101           H5       NAM   6  15.890  -3.324  -3.181
  684    H61  MUB 101           H61      NAM   6  17.248  -4.659  -4.582
  685    H62  MUB 101           H62      NAM   6  15.620  -5.438  -4.586
  686    HO6  MUB 101           HO6      NAM   6  17.874  -6.671  -4.118
  687    H1   NAG 102           H1       NAG   7  17.305  -2.057  -0.264
  688    H2   NAG 102           H2       NAG   7  18.229   0.002  -2.486
  689    H3   NAG 102           H3       NAG   7  17.153   0.510   0.391
  690    H4   NAG 102           H4       NAG   7  15.706   1.202  -2.128
  691    H5   NAG 102           H5       NAG   7  14.996  -1.183  -0.151
  692    H61  NAG 102           H61      NAG   7  13.091  -0.071  -1.391
  693    H62  NAG 102           H62      NAG   7  13.311  -1.814  -1.529
  694    H81  NAG 102           H81      NAG   7  21.522  -1.474   0.323
  695    H82  NAG 102           H82      NAG   7  21.060  -0.814   1.886
  696    H83  NAG 102           H83      NAG   7  21.500   0.293   0.588
  697    HN2  NAG 102           HN2      NAG   7  20.050  -0.356  -1.581
  698    HO3  NAG 102           HO3      NAG   7  18.628   1.897  -0.883
  699    HO4  NAG 102           HO4      NAG   7  15.380   2.262  -0.197
  700    HO6  NAG 102           HO6      NAG   7  14.704  -0.938  -3.453
  701    H1   MUB 101           H1       NAM   6 -16.815   7.867   0.057
  702    H2   MUB 101           H2       NAM   6 -16.696   6.969   2.053
  703    HN2  MUB 101           HN2      NAM   6 -15.039   5.563   2.489
  704    H81  MUB 101           H81      NAM   6 -14.346   3.132   2.850
  705    H82  MUB 101           H82      NAM   6 -13.574   3.607   1.345
  706    H83  MUB 101           H83      NAM   6 -14.561   2.155   1.359
  707    H3   MUB 101           H3       NAM   6 -17.897   4.345   0.766
  708    H9   MUB 101           H9       NAM   6 -18.875   6.499   2.777
  709   H111  MUB 101          H111      NAM   6 -16.997   7.325   3.809
  710   H112  MUB 101          H112      NAM   6 -16.628   5.725   4.394
  711   H113  MUB 101          H113      NAM   6 -17.697   6.666   5.360
  712    H4A  MUB 101           H4       NAM   6 -19.749   6.685   1.417
  713    H5   MUB 101           H5       NAM   6 -19.468   6.192  -1.450
  714    H61  MUB 101           H61      NAM   6 -20.051   8.320  -0.568
  715    H62  MUB 101           H62      NAM   6 -18.619   8.552  -1.656
  716    HO6  MUB 101           HO6      NAM   6 -18.326   9.607   0.472
  717    H1   NAG 102           H1       NAG   7 -19.231   3.477   0.325
  718    H2   NAG 102           H2       NAG   7 -22.325   3.461  -0.298
  719    H3   NAG 102           H3       NAG   7 -20.333   1.062  -0.538
  720    H4   NAG 102           H4       NAG   7 -21.626   2.448  -2.870
  721    H5   NAG 102           H5       NAG   7 -18.593   2.709  -1.883
  722    H61  NAG 102           H61      NAG   7 -18.891   2.800  -4.349
  723    H62  NAG 102           H62      NAG   7 -18.076   4.133  -3.553
  724    H81  NAG 102           H81      NAG   7 -20.155   1.566   4.115
  725    H82  NAG 102           H82      NAG   7 -21.718   0.988   3.553
  726    H83  NAG 102           H83      NAG   7 -21.548   2.680   4.013
  727    HN2  NAG 102           HN2      NAG   7 -22.528   2.750   1.613
  728    HO3  NAG 102           HO3      NAG   7 -22.531   0.721  -0.153
  729    HO4  NAG 102           HO4      NAG   7 -20.937   0.340  -3.021
  730    HO6  NAG 102           HO6      NAG   7 -19.939   5.310  -3.825
  731    H1   MUB 101           H1       NAM   6  13.331   5.781   5.995
  732    H2   MUB 101           H2       NAM   6  12.516   6.770   7.786
  733    HN2  MUB 101           HN2      NAM   6  10.275   7.179   7.682
  734    H81  MUB 101           H81      NAM   6   8.631   9.063   7.639
  735    H82  MUB 101           H82      NAM   6   8.341   8.222   6.126
  736    H83  MUB 101           H83      NAM   6   8.652   9.951   6.090
  737    H3   MUB 101           H3       NAM   6  12.623   9.480   6.186
  738    H9   MUB 101           H9       NAM   6  13.820   7.934   8.571
  739   H111  MUB 101          H111      NAM   6  11.737   8.833  10.653
  740   H112  MUB 101          H112      NAM   6  12.957   7.635  10.993
  741   H113  MUB 101          H113      NAM   6  11.908   7.306   9.669
  742    H4A  MUB 101           H4       NAM   6  15.233   8.349   7.246
  743    H5   MUB 101           H5       NAM   6  15.034   8.430   4.329
  744    H61  MUB 101           H61      NAM   6  16.514   7.016   5.600
  745    H62  MUB 101           H62      NAM   6  15.702   6.073   4.291
  746    HO6  MUB 101           HO6      NAM   6  15.454   4.922   6.322
  747    H1   NAG 102           H1       NAG   7  13.412  11.049   6.276
  748    H2   NAG 102           H2       NAG   7  16.032  12.234   4.948
  749    H3   NAG 102           H3       NAG   7  13.197  13.487   5.333
  750    H4   NAG 102           H4       NAG   7  14.401  12.692   2.696
  751    H5   NAG 102           H5       NAG   7  12.030  11.246   4.286
  752    H61  NAG 102           H61      NAG   7  11.852  11.126   1.798
  753    H62  NAG 102           H62      NAG   7  11.906   9.620   2.691
  754    H81  NAG 102           H81      NAG   7  15.593  14.472   8.833
  755    H82  NAG 102           H82      NAG   7  15.675  12.831   9.460
  756    H83  NAG 102           H83      NAG   7  14.184  13.748   9.660
  757    HN2  NAG 102           HN2      NAG   7  16.370  12.799   6.899
  758    HO3  NAG 102           HO3      NAG   7  15.031  14.793   5.236
  759    HO4  NAG 102           HO4      NAG   7  12.859  14.330   2.881
  760    HO6  NAG 102           HO6      NAG   7  14.341   9.949   2.171
  Start of MODEL    8
    1    H    ZAE   1           HN1      DPH   1   8.071 -16.099   6.045
    2    HA   ZAE   1           HA       DPH   1   8.989 -15.061   4.073
    3    HB2  ZAE   1           HB1      DPH   1   9.435 -12.894   6.024
    4    HB3  ZAE   1           HB2      DPH   1   9.700 -14.517   6.649
    5    HD1  ZAE   1           HD1      DPH   1  10.698 -15.786   4.089
    6    HD2  ZAE   1           HD2      DPH   1  11.664 -12.096   5.985
    7    HE1  ZAE   1           HE1      DPH   1  12.932 -15.838   3.055
    8    HE2  ZAE   1           HE2      DPH   1  13.896 -12.145   4.951
    9    HZ   ZAE   1           HZ       DPH   1  14.533 -14.019   3.487
   10    H11  ZAE   1          HN11      DPH   1   6.362 -13.709   6.237
   11    H12  ZAE   1          HN12      DPH   1   7.614 -14.188   7.383
   12    H13  ZAE   1          HN13      DPH   1   6.178 -15.193   7.177
   13    HN2  ZAE   1           HN2      DPH   1   6.863 -15.695   4.931
   14    H    ILE   2           HN       ILE   2   7.078 -14.485   2.778
   15    HA   ILE   2           HA       ILE   2   7.015 -11.614   2.422
   16    HB   ILE   2           HB       ILE   2   6.900 -13.756   0.639
   17   HG12  ILE   2          HG12      ILE   2   6.380 -10.812   0.355
   18   HG13  ILE   2          HG11      ILE   2   7.794 -11.737  -0.128
   19   HG21  ILE   2          HG21      ILE   2   4.650 -14.306   0.844
   20   HG22  ILE   2          HG22      ILE   2   4.684 -13.240  -0.562
   21   HG23  ILE   2          HG23      ILE   2   4.149 -12.621   1.000
   22   HD11  ILE   2          HD11      ILE   2   5.411 -12.586  -1.528
   23   HD12  ILE   2          HD12      ILE   2   6.984 -12.094  -2.159
   24   HD13  ILE   2          HD13      ILE   2   5.769 -10.877  -1.761
   25    H    SER   3           HN       SER   3   5.328 -10.311   2.874
   26    HA   SER   3           HA       SER   3   2.698 -11.400   3.411
   27    HB2  SER   3           HB2      SER   3   3.050  -9.607   5.528
   28    HB3  SER   3           HB1      SER   3   2.816 -11.351   5.627
   29    HG   SER   3           HG       SER   3   5.360 -10.832   4.999
   30    H    DAR   4           HN       DAR   4   1.198  -9.543   4.076
   31    HA   DAR   4           HA       DAR   4   1.749  -7.339   2.220
   32    HB2  DAR   4           HB1      DAR   4   0.587  -7.211   4.990
   33    HB3  DAR   4           HB2      DAR   4   0.470  -5.891   3.832
   34    HG2  DAR   4           HG1      DAR   4   2.824  -5.609   3.790
   35    HG3  DAR   4           HG2      DAR   4   3.077  -7.099   4.706
   36    HD2  DAR   4           HD1      DAR   4   1.799  -6.067   6.579
   37    HD3  DAR   4           HD2      DAR   4   1.787  -4.557   5.672
   38    HE   DAR   4           HE       DAR   4   4.375  -5.007   5.752
   39   HH11  DAR   4          HH21      DAR   4   5.288  -4.658   9.127
   40   HH12  DAR   4          HH22      DAR   4   5.862  -4.584   7.427
   41   HH21  DAR   4          HH11      DAR   4   3.049  -5.112   9.568
   42   HH22  DAR   4          HH12      DAR   4   1.916  -5.385   8.202
   43    HA   28J   5           HA       28J   5  -2.472  -8.083   1.375
   44    H22  28J   5           HB       28J   5  -2.379  -7.692  -1.401
   45    H23  28J   5          HG21      28J   5   0.164  -9.044  -0.508
   46    H24  28J   5          HG22      28J   5   0.090  -7.400  -1.144
   47    H25  28J   5          HG23      28J   5  -0.370  -8.764  -2.164
   48    H26  28J   5          HG11      28J   5  -2.151 -10.088   0.405
   49    H27  28J   5          HG12      28J   5  -2.023 -10.283  -1.340
   50    H28  28J   5          HD11      28J   5  -4.371  -9.118   0.141
   51    H29  28J   5          HD12      28J   5  -4.283 -10.714  -0.604
   52    H30  28J   5          HD13      28J   5  -4.236  -9.267  -1.612
   53    H    ILE   6           HN       ILE   6  -4.114  -7.022  -0.307
   54    HA   ILE   6           HA       ILE   6  -3.945  -4.093  -0.018
   55    HB   ILE   6           HB       ILE   6  -3.747  -4.688  -2.289
   56   HG12  ILE   6          HG12      ILE   6  -6.654  -3.957  -2.076
   57   HG13  ILE   6          HG11      ILE   6  -5.375  -2.849  -1.562
   58   HG21  ILE   6          HG21      ILE   6  -5.388  -6.087  -3.516
   59   HG22  ILE   6          HG22      ILE   6  -6.173  -6.474  -1.985
   60   HG23  ILE   6          HG23      ILE   6  -4.509  -6.978  -2.275
   61   HD11  ILE   6          HD11      ILE   6  -5.673  -4.073  -4.273
   62   HD12  ILE   6          HD12      ILE   6  -4.370  -3.005  -3.753
   63   HD13  ILE   6          HD13      ILE   6  -6.025  -2.409  -3.822
   64    H    SER   7           HN       SER   7  -5.396  -3.395   1.648
   65    HA   SER   7           HA       SER   7  -8.172  -4.293   1.324
   66    HB2  SER   7           HB2      SER   7  -8.090  -4.228   4.033
   67    HB3  SER   7           HB1      SER   7  -7.975  -5.692   3.062
   68    HG   SER   7           HG       SER   7  -5.562  -4.826   3.137
   69    H    DTH   8           HN       DTC   8  -9.771  -3.000   2.131
   70    HA   DTH   8           HA       DTC   8  -8.883  -0.227   2.452
   71    HB   DTH   8           HB       DTC   8 -10.527   0.275   4.195
   72   HG21  DTH   8          HG21      DTC   8  -9.445  -1.025   5.997
   73   HG22  DTH   8          HG22      DTC   8  -8.267  -0.432   4.826
   74   HG23  DTH   8          HG23      DTC   8  -8.766  -2.124   4.798
   75    H    ALA   9           HN       ALA   9 -11.349  -2.559   1.597
   76    HA   ALA   9           HA       ALA   9 -12.619  -0.600  -0.166
   77    HB1  ALA   9           HB1      ALA   9 -13.001  -3.602  -0.055
   78    HB2  ALA   9           HB2      ALA   9 -11.815  -2.798  -1.084
   79    HB3  ALA   9           HB3      ALA   9 -13.537  -2.508  -1.331
   80    H    LEU  10           HN       LEU  10 -13.668  -3.423   1.579
   81    HA   LEU  10           HA       LEU  10 -16.201  -2.222   2.293
   82    HB2  LEU  10           HB2      LEU  10 -16.318  -4.612   3.412
   83    HB3  LEU  10           HB1      LEU  10 -16.593  -4.385   1.697
   84    HG   LEU  10           HG       LEU  10 -13.827  -4.743   1.948
   85   HD11  LEU  10          HD11      LEU  10 -14.709  -7.170   3.168
   86   HD12  LEU  10          HD12      LEU  10 -15.063  -5.789   4.207
   87   HD13  LEU  10          HD13      LEU  10 -13.416  -6.074   3.653
   88   HD21  LEU  10          HD21      LEU  10 -15.926  -6.776   1.187
   89   HD22  LEU  10          HD22      LEU  10 -14.215  -6.844   0.771
   90   HD23  LEU  10          HD23      LEU  10 -15.233  -5.569   0.106
   91    H    ILE  11           HN       ILE  11 -13.142  -2.661   3.575
   92    HA   ILE  11           HA       ILE  11 -14.073  -1.684   6.167
   93    HB   ILE  11           HB       ILE  11 -12.185  -4.021   5.802
   94   HG12  ILE  11          HG12      ILE  11 -14.840  -3.842   7.246
   95   HG13  ILE  11          HG11      ILE  11 -14.631  -4.513   5.632
   96   HG21  ILE  11          HG21      ILE  11 -12.997  -2.569   8.317
   97   HG22  ILE  11          HG22      ILE  11 -11.407  -2.512   7.555
   98   HG23  ILE  11          HG23      ILE  11 -12.002  -4.023   8.242
   99   HD11  ILE  11          HD11      ILE  11 -13.472  -5.579   8.193
  100   HD12  ILE  11          HD12      ILE  11 -13.128  -6.223   6.587
  101   HD13  ILE  11          HD13      ILE  11 -14.769  -6.289   7.233
  102    H    ZAE   1           HN1      DPH   1  -7.711   5.047   5.014
  103    HA   ZAE   1           HA       DPH   1  -8.916   3.764   3.318
  104    HB2  ZAE   1           HB1      DPH   1  -8.969   1.797   5.434
  105    HB3  ZAE   1           HB2      DPH   1  -8.849   3.416   6.116
  106    HD1  ZAE   1           HD1      DPH   1 -10.581   2.126   3.130
  107    HD2  ZAE   1           HD2      DPH   1 -10.957   4.017   6.894
  108    HE1  ZAE   1           HE1      DPH   1 -12.992   2.402   2.719
  109    HE2  ZAE   1           HE2      DPH   1 -13.374   4.320   6.508
  110    HZ   ZAE   1           HZ       DPH   1 -14.398   3.508   4.414
  111    H11  ZAE   1          HN11      DPH   1  -5.493   4.275   5.652
  112    H12  ZAE   1          HN12      DPH   1  -5.932   2.705   4.977
  113    H13  ZAE   1          HN13      DPH   1  -6.815   3.345   6.360
  114    HN2  ZAE   1           HN2      DPH   1  -6.752   4.647   3.671
  115    H    ILE   2           HN       ILE   2  -7.687   2.887   1.600
  116    HA   ILE   2           HA       ILE   2  -7.120   0.073   1.966
  117    HB   ILE   2           HB       ILE   2  -8.253   1.129  -0.106
  118   HG12  ILE   2          HG12      ILE   2  -5.951  -0.703  -0.720
  119   HG13  ILE   2          HG11      ILE   2  -7.327  -1.243   0.235
  120   HG21  ILE   2          HG21      ILE   2  -6.663   1.753  -1.899
  121   HG22  ILE   2          HG22      ILE   2  -5.342   1.637  -0.736
  122   HG23  ILE   2          HG23      ILE   2  -6.593   2.857  -0.527
  123   HD11  ILE   2          HD11      ILE   2  -7.383  -0.236  -2.598
  124   HD12  ILE   2          HD12      ILE   2  -8.816  -0.651  -1.656
  125   HD13  ILE   2          HD13      ILE   2  -7.626  -1.892  -2.049
  126    H    SER   3           HN       SER   3  -5.291  -0.726   2.419
  127    HA   SER   3           HA       SER   3  -2.839   0.393   1.411
  128    HB2  SER   3           HB2      SER   3  -1.991   0.014   3.928
  129    HB3  SER   3           HB1      SER   3  -2.463   1.586   3.285
  130    HG   SER   3           HG       SER   3  -4.671   0.442   4.103
  131    H    DAR   4           HN       DAR   4  -1.007  -0.891   2.253
  132    HA   DAR   4           HA       DAR   4  -1.722  -3.696   2.004
  133    HB2  DAR   4           HB1      DAR   4  -0.230  -2.458   4.285
  134    HB3  DAR   4           HB2      DAR   4   0.184  -4.082   3.762
  135    HG2  DAR   4           HG1      DAR   4  -2.062  -4.858   4.239
  136    HG3  DAR   4           HG2      DAR   4  -2.564  -3.214   4.631
  137    HD2  DAR   4           HD1      DAR   4  -0.820  -3.232   6.449
  138    HD3  DAR   4           HD2      DAR   4  -0.645  -4.959   6.155
  139    HE   DAR   4           HE       DAR   4  -3.211  -4.907   6.612
  140   HH11  DAR   4          HH21      DAR   4  -3.667  -3.923   9.974
  141   HH12  DAR   4          HH22      DAR   4  -4.400  -4.790   8.574
  142   HH21  DAR   4          HH11      DAR   4  -1.612  -2.939   9.774
  143   HH22  DAR   4          HH12      DAR   4  -0.699  -3.055   8.226
  144    HA   28J   5           HA       28J   5   2.393  -3.556   0.361
  145    H22  28J   5           HB       28J   5   2.052  -4.297  -2.110
  146    H23  28J   5          HG21      28J   5  -0.030  -5.450  -1.864
  147    H24  28J   5          HG22      28J   5  -0.278  -4.041  -2.892
  148    H25  28J   5          HG23      28J   5  -0.801  -4.009  -1.206
  149    H26  28J   5          HG11      28J   5   2.224  -1.922  -1.123
  150    H27  28J   5          HG12      28J   5   0.471  -1.864  -1.268
  151    H28  28J   5          HD11      28J   5   0.668  -2.244  -3.682
  152    H29  28J   5          HD12      28J   5   2.425  -2.273  -3.522
  153    H30  28J   5          HD13      28J   5   1.533  -0.795  -3.165
  154    H    ILE   6           HN       ILE   6   4.019  -4.860  -0.363
  155    HA   ILE   6           HA       ILE   6   3.730  -7.644   0.256
  156    HB   ILE   6           HB       ILE   6   2.692  -7.799  -1.875
  157   HG12  ILE   6          HG12      ILE   6   4.943  -8.890  -3.150
  158   HG13  ILE   6          HG11      ILE   6   5.199  -9.119  -1.423
  159   HG21  ILE   6          HG21      ILE   6   3.296  -5.794  -2.997
  160   HG22  ILE   6          HG22      ILE   6   3.743  -7.145  -4.038
  161   HG23  ILE   6          HG23      ILE   6   4.983  -6.288  -3.120
  162   HD11  ILE   6          HD11      ILE   6   4.032 -10.976  -2.679
  163   HD12  ILE   6          HD12      ILE   6   2.648  -9.888  -2.790
  164   HD13  ILE   6          HD13      ILE   6   3.243 -10.400  -1.217
  165    H    SER   7           HN       SER   7   5.580  -8.394   1.055
  166    HA   SER   7           HA       SER   7   8.100  -7.710  -0.054
  167    HB2  SER   7           HB2      SER   7   8.768  -6.628   2.309
  168    HB3  SER   7           HB1      SER   7   8.258  -5.667   0.922
  169    HG   SER   7           HG       SER   7   6.067  -6.383   2.138
  170    H    DTH   8           HN       DTC   8   9.861  -8.736   1.048
  171    HA   DTH   8           HA       DTC   8   8.894 -11.033   2.602
  172    HB   DTH   8           HB       DTC   8  10.991 -10.973   3.998
  173   HG21  DTH   8          HG21      DTC   8   9.236  -8.486   4.088
  174   HG22  DTH   8          HG22      DTC   8  10.187  -9.132   5.426
  175   HG23  DTH   8          HG23      DTC   8   8.826 -10.052   4.785
  176    H    ALA   9           HN       ALA   9  10.743  -9.927   0.013
  177    HA   ALA   9           HA       ALA   9  12.192 -12.426  -0.416
  178    HB1  ALA   9           HB1      ALA   9  11.223 -11.580  -2.447
  179    HB2  ALA   9           HB2      ALA   9  12.950 -11.239  -2.537
  180    HB3  ALA   9           HB3      ALA   9  11.824  -9.954  -2.120
  181    H    LEU  10           HN       LEU  10  12.709  -8.973  -0.484
  182    HA   LEU  10           HA       LEU  10  15.565  -9.333  -0.061
  183    HB2  LEU  10           HB2      LEU  10  13.992  -6.752  -0.135
  184    HB3  LEU  10           HB1      LEU  10  15.736  -6.908  -0.117
  185    HG   LEU  10           HG       LEU  10  15.797  -7.790  -2.315
  186   HD11  LEU  10          HD11      LEU  10  14.030  -9.300  -2.378
  187   HD12  LEU  10          HD12      LEU  10  13.634  -8.084  -3.591
  188   HD13  LEU  10          HD13      LEU  10  12.830  -8.057  -2.022
  189   HD21  LEU  10          HD21      LEU  10  13.705  -5.780  -2.839
  190   HD22  LEU  10          HD22      LEU  10  15.344  -5.909  -3.470
  191   HD23  LEU  10          HD23      LEU  10  15.071  -5.245  -1.860
  192    H    ILE  11           HN       ILE  11  12.797  -7.946   1.660
  193    HA   ILE  11           HA       ILE  11  14.494  -8.203   4.096
  194    HB   ILE  11           HB       ILE  11  12.423  -6.048   3.575
  195   HG12  ILE  11          HG12      ILE  11  15.419  -5.982   4.014
  196   HG13  ILE  11          HG11      ILE  11  14.545  -5.452   2.581
  197   HG21  ILE  11          HG21      ILE  11  14.027  -6.557   6.074
  198   HG22  ILE  11          HG22      ILE  11  12.324  -6.970   5.874
  199   HG23  ILE  11          HG23      ILE  11  12.836  -5.282   5.825
  200   HD11  ILE  11          HD11      ILE  11  15.158  -3.487   3.683
  201   HD12  ILE  11          HD12      ILE  11  14.725  -4.131   5.267
  202   HD13  ILE  11          HD13      ILE  11  13.461  -3.715   4.109
  203    H    ZAE   1           HN1      DPH   1   8.718  -4.656   4.064
  204    HA   ZAE   1           HA       DPH   1   9.018  -4.338   1.666
  205    HB2  ZAE   1           HB1      DPH   1   9.974  -1.757   2.558
  206    HB3  ZAE   1           HB2      DPH   1  10.233  -2.979   3.801
  207    HD1  ZAE   1           HD1      DPH   1  10.502  -5.289   1.798
  208    HD2  ZAE   1           HD2      DPH   1  12.294  -1.436   2.039
  209    HE1  ZAE   1           HE1      DPH   1  12.467  -6.132   0.568
  210    HE2  ZAE   1           HE2      DPH   1  14.264  -2.265   0.803
  211    HZ   ZAE   1           HZ       DPH   1  14.350  -4.618   0.067
  212    H11  ZAE   1          HN11      DPH   1   7.104  -2.210   3.804
  213    H12  ZAE   1          HN12      DPH   1   8.549  -2.435   4.789
  214    H13  ZAE   1          HN13      DPH   1   7.058  -3.276   5.209
  215    HN2  ZAE   1           HN2      DPH   1   7.250  -4.611   3.215
  216    H    ILE   2           HN       ILE   2   7.166  -3.959   0.391
  217    HA   ILE   2           HA       ILE   2   6.735  -1.125  -0.100
  218    HB   ILE   2           HB       ILE   2   6.848  -3.362  -1.788
  219   HG12  ILE   2          HG12      ILE   2   6.018  -0.489  -2.284
  220   HG13  ILE   2          HG11      ILE   2   7.643  -1.156  -2.366
  221   HG21  ILE   2          HG21      ILE   2   4.636  -3.087  -3.011
  222   HG22  ILE   2          HG22      ILE   2   4.054  -2.255  -1.568
  223   HG23  ILE   2          HG23      ILE   2   4.574  -3.935  -1.465
  224   HD11  ILE   2          HD11      ILE   2   6.814  -2.641  -4.225
  225   HD12  ILE   2          HD12      ILE   2   6.890  -0.919  -4.606
  226   HD13  ILE   2          HD13      ILE   2   5.344  -1.673  -4.215
  227    H    SER   3           HN       SER   3   5.142  -0.060   0.635
  228    HA   SER   3           HA       SER   3   2.528  -1.236   0.976
  229    HB2  SER   3           HB2      SER   3   2.641   0.122   3.315
  230    HB3  SER   3           HB1      SER   3   2.815  -1.626   3.168
  231    HG   SER   3           HG       SER   3   5.160  -0.328   2.731
  232    H    DAR   4           HN       DAR   4   0.977   0.348   1.670
  233    HA   DAR   4           HA       DAR   4   1.467   2.853   0.307
  234    HB2  DAR   4           HB1      DAR   4   0.879   2.610   3.233
  235    HB3  DAR   4           HB2      DAR   4   0.227   3.971   2.337
  236    HG2  DAR   4           HG1      DAR   4   2.495   4.657   1.709
  237    HG3  DAR   4           HG2      DAR   4   3.147   3.272   2.583
  238    HD2  DAR   4           HD1      DAR   4   2.216   4.145   4.671
  239    HD3  DAR   4           HD2      DAR   4   1.590   5.544   3.804
  240    HE   DAR   4           HE       DAR   4   3.982   6.072   3.300
  241   HH11  DAR   4          HH21      DAR   4   6.113   5.990   6.117
  242   HH12  DAR   4          HH22      DAR   4   5.880   6.656   4.461
  243   HH21  DAR   4          HH11      DAR   4   4.546   4.589   7.033
  244   HH22  DAR   4          HH12      DAR   4   3.046   4.196   6.117
  245    HA   28J   5           HA       28J   5  -2.958   2.444   0.310
  246    H22  28J   5           HB       28J   5  -3.436   2.493  -2.300
  247    H23  28J   5          HG21      28J   5  -1.260   3.369  -2.914
  248    H24  28J   5          HG22      28J   5  -1.508   1.766  -3.600
  249    H25  28J   5          HG23      28J   5  -0.473   1.972  -2.185
  250    H26  28J   5          HG11      28J   5  -3.483   0.544  -0.638
  251    H27  28J   5          HG12      28J   5  -1.839   0.190  -1.157
  252    H28  28J   5          HD11      28J   5  -2.621  -0.161  -3.437
  253    H29  28J   5          HD12      28J   5  -4.264   0.240  -2.940
  254    H30  28J   5          HD13      28J   5  -3.479  -1.205  -2.303
  255    H    ILE   6           HN       ILE   6  -4.849   3.456  -0.517
  256    HA   ILE   6           HA       ILE   6  -4.452   6.328  -0.823
  257    HB   ILE   6           HB       ILE   6  -4.349   5.498  -3.112
  258   HG12  ILE   6          HG12      ILE   6  -6.908   7.025  -2.653
  259   HG13  ILE   6          HG11      ILE   6  -5.295   7.722  -2.753
  260   HG21  ILE   6          HG21      ILE   6  -5.640   3.474  -3.035
  261   HG22  ILE   6          HG22      ILE   6  -6.259   4.516  -4.314
  262   HG23  ILE   6          HG23      ILE   6  -7.131   4.378  -2.787
  263   HD11  ILE   6          HD11      ILE   6  -6.933   6.465  -4.925
  264   HD12  ILE   6          HD12      ILE   6  -5.197   6.735  -5.089
  265   HD13  ILE   6          HD13      ILE   6  -6.280   8.099  -4.829
  266    H    SER   7           HN       SER   7  -5.981   7.518   0.197
  267    HA   SER   7           HA       SER   7  -8.626   6.539   0.572
  268    HB2  SER   7           HB2      SER   7  -8.305   6.640   3.182
  269    HB3  SER   7           HB1      SER   7  -8.050   5.150   2.278
  270    HG   SER   7           HG       SER   7  -5.783   6.490   2.264
  271    H    DTH   8           HN       DTC   8  -9.666   7.938   2.471
  272    HA   DTH   8           HA       DTC   8  -8.654  10.679   2.107
  273    HB   DTH   8           HB       DTC   8  -9.996  11.320   4.109
  274   HG21  DTH   8          HG21      DTC   8  -7.655  10.583   4.371
  275   HG22  DTH   8          HG22      DTC   8  -8.179   8.901   4.478
  276   HG23  DTH   8          HG23      DTC   8  -8.631  10.048   5.738
  277    H    ALA   9           HN       ALA   9 -11.155   8.646   1.079
  278    HA   ALA   9           HA       ALA   9 -12.902  10.810   0.195
  279    HB1  ALA   9           HB1      ALA   9 -12.675   9.114  -1.482
  280    HB2  ALA   9           HB2      ALA   9 -14.263   8.867  -0.757
  281    HB3  ALA   9           HB3      ALA   9 -12.918   7.830  -0.297
  282    H    LEU  10           HN       LEU  10 -13.103   7.715   1.782
  283    HA   LEU  10           HA       LEU  10 -15.669   8.374   2.959
  284    HB2  LEU  10           HB2      LEU  10 -13.904   5.964   3.437
  285    HB3  LEU  10           HB1      LEU  10 -15.533   6.176   4.042
  286    HG   LEU  10           HG       LEU  10 -16.456   6.075   1.820
  287   HD11  LEU  10          HD11      LEU  10 -13.669   5.705   0.779
  288   HD12  LEU  10          HD12      LEU  10 -14.544   7.235   0.740
  289   HD13  LEU  10          HD13      LEU  10 -15.160   5.845  -0.152
  290   HD21  LEU  10          HD21      LEU  10 -15.740   3.798   1.105
  291   HD22  LEU  10          HD22      LEU  10 -16.186   3.922   2.806
  292   HD23  LEU  10          HD23      LEU  10 -14.485   3.855   2.344
  293    H    ILE  11           HN       ILE  11 -12.344   7.846   4.030
  294    HA   ILE  11           HA       ILE  11 -13.161   9.299   6.495
  295    HB   ILE  11           HB       ILE  11 -11.353   6.878   6.364
  296   HG12  ILE  11          HG12      ILE  11 -13.800   7.592   8.008
  297   HG13  ILE  11          HG11      ILE  11 -13.712   6.373   6.741
  298   HG21  ILE  11          HG21      ILE  11 -11.678   8.813   8.655
  299   HG22  ILE  11          HG22      ILE  11 -10.250   8.681   7.628
  300   HG23  ILE  11          HG23      ILE  11 -10.718   7.334   8.665
  301   HD11  ILE  11          HD11      ILE  11 -12.318   6.288   9.411
  302   HD12  ILE  11          HD12      ILE  11 -12.153   5.078   8.139
  303   HD13  ILE  11          HD13      ILE  11 -13.714   5.331   8.918
  304    H    ZAE   1           HN1      DPH   1  -8.234  16.949   1.484
  305    HA   ZAE   1           HA       DPH   1  -9.402  15.206   0.326
  306    HB2  ZAE   1           HB1      DPH   1  -9.485  13.983   2.983
  307    HB3  ZAE   1           HB2      DPH   1  -9.598  15.740   3.029
  308    HD1  ZAE   1           HD1      DPH   1 -10.997  15.911   0.245
  309    HD2  ZAE   1           HD2      DPH   1 -11.745  13.625   3.769
  310    HE1  ZAE   1           HE1      DPH   1 -13.389  15.792  -0.341
  311    HE2  ZAE   1           HE2      DPH   1 -14.137  13.503   3.186
  312    HZ   ZAE   1           HZ       DPH   1 -14.962  14.589   1.131
  313    H11  ZAE   1          HN11      DPH   1  -6.415  14.839   2.440
  314    H12  ZAE   1          HN12      DPH   1  -7.531  15.774   3.438
  315    H13  ZAE   1          HN13      DPH   1  -6.185  16.581   2.631
  316    HN2  ZAE   1           HN2      DPH   1  -7.178  16.069   0.498
  317    H    ILE   2           HN       ILE   2  -7.708  14.107  -0.922
  318    HA   ILE   2           HA       ILE   2  -7.548  11.345  -0.069
  319    HB   ILE   2           HB       ILE   2  -8.037  12.387  -2.512
  320   HG12  ILE   2          HG12      ILE   2  -6.565   9.790  -2.018
  321   HG13  ILE   2          HG11      ILE   2  -8.306  10.032  -1.916
  322   HG21  ILE   2          HG21      ILE   2  -5.090  11.749  -2.641
  323   HG22  ILE   2          HG22      ILE   2  -5.781  13.370  -2.697
  324   HG23  ILE   2          HG23      ILE   2  -6.134  12.218  -3.983
  325   HD11  ILE   2          HD11      ILE   2  -8.285  10.634  -4.334
  326   HD12  ILE   2          HD12      ILE   2  -7.823   8.968  -3.988
  327   HD13  ILE   2          HD13      ILE   2  -6.586  10.167  -4.369
  328    H    SER   3           HN       SER   3  -5.754  10.354   0.650
  329    HA   SER   3           HA       SER   3  -3.135  11.464   0.129
  330    HB2  SER   3           HB2      SER   3  -3.992  11.036   2.981
  331    HB3  SER   3           HB1      SER   3  -2.422  11.606   2.419
  332    HG   SER   3           HG       SER   3  -4.205  13.220   1.381
  333    H    DAR   4           HN       DAR   4  -1.400  10.085   0.868
  334    HA   DAR   4           HA       DAR   4  -2.194   7.291   0.565
  335    HB2  DAR   4           HB1      DAR   4  -0.547   8.482   2.763
  336    HB3  DAR   4           HB2      DAR   4  -0.311   6.810   2.267
  337    HG2  DAR   4           HG1      DAR   4  -2.434   6.176   2.956
  338    HG3  DAR   4           HG2      DAR   4  -3.031   7.840   2.960
  339    HD2  DAR   4           HD1      DAR   4  -1.556   8.350   4.842
  340    HD3  DAR   4           HD2      DAR   4  -0.986   6.683   4.847
  341    HE   DAR   4           HE       DAR   4  -3.574   6.290   5.167
  342   HH11  DAR   4          HH21      DAR   4  -4.272   7.508   8.391
  343   HH12  DAR   4          HH22      DAR   4  -4.799   6.386   7.092
  344   HH21  DAR   4          HH11      DAR   4  -2.350   8.791   8.094
  345   HH22  DAR   4          HH12      DAR   4  -1.393   8.613   6.585
  346    HA   28J   5           HA       28J   5   1.538   7.461  -1.682
  347    H22  28J   5           HB       28J   5   0.610   5.747  -3.771
  348    H23  28J   5          HG21      28J   5  -1.459   6.877  -4.418
  349    H24  28J   5          HG22      28J   5  -1.412   7.827  -2.935
  350    H25  28J   5          HG23      28J   5  -1.639   6.080  -2.856
  351    H26  28J   5          HG11      28J   5   1.526   8.506  -3.389
  352    H27  28J   5          HG12      28J   5   0.327   8.362  -4.671
  353    H28  28J   5          HD11      28J   5   3.110   7.620  -4.666
  354    H29  28J   5          HD12      28J   5   1.988   7.788  -6.017
  355    H30  28J   5          HD13      28J   5   2.085   6.263  -5.133
  356    H    ILE   6           HN       ILE   6   2.862   5.722  -2.907
  357    HA   ILE   6           HA       ILE   6   2.801   3.177  -1.430
  358    HB   ILE   6           HB       ILE   6   3.863   2.190  -3.345
  359   HG12  ILE   6          HG12      ILE   6   3.902   4.890  -4.674
  360   HG13  ILE   6          HG11      ILE   6   5.286   4.170  -3.848
  361   HG21  ILE   6          HG21      ILE   6   2.191   2.445  -5.098
  362   HG22  ILE   6          HG22      ILE   6   1.593   3.925  -4.351
  363   HG23  ILE   6          HG23      ILE   6   1.422   2.382  -3.513
  364   HD11  ILE   6          HD11      ILE   6   4.013   3.446  -6.391
  365   HD12  ILE   6          HD12      ILE   6   4.666   2.146  -5.394
  366   HD13  ILE   6          HD13      ILE   6   5.705   3.465  -5.918
  367    H    SER   7           HN       SER   7   4.671   2.662  -0.028
  368    HA   SER   7           HA       SER   7   7.213   3.825  -0.814
  369    HB2  SER   7           HB2      SER   7   6.173   4.519   1.921
  370    HB3  SER   7           HB1      SER   7   7.725   4.988   1.236
  371    HG   SER   7           HG       SER   7   6.153   5.917  -0.476
  372    H    DTH   8           HN       DTC   8   9.027   3.371   0.825
  373    HA   DTH   8           HA       DTC   8   8.650   0.754   2.167
  374    HB   DTH   8           HB       DTC   8  10.432   1.158   3.730
  375   HG21  DTH   8          HG21      DTC   8   8.324   2.287   4.301
  376   HG22  DTH   8          HG22      DTC   8   8.850   3.741   3.452
  377   HG23  DTH   8          HG23      DTC   8   9.712   3.196   4.892
  378    H    ALA   9           HN       ALA   9  10.547   2.536  -0.186
  379    HA   ALA   9           HA       ALA   9  11.581   0.075  -1.309
  380    HB1  ALA   9           HB1      ALA   9  11.649   2.979  -2.108
  381    HB2  ALA   9           HB2      ALA   9  10.920   1.611  -2.951
  382    HB3  ALA   9           HB3      ALA   9  12.670   1.785  -2.904
  383    H    LEU  10           HN       LEU  10  12.832   3.140  -0.620
  384    HA   LEU  10           HA       LEU  10  15.503   2.054  -0.039
  385    HB2  LEU  10           HB2      LEU  10  16.138   4.555  -0.138
  386    HB3  LEU  10           HB1      LEU  10  15.778   3.715  -1.629
  387    HG   LEU  10           HG       LEU  10  14.829   5.979  -1.585
  388   HD11  LEU  10          HD11      LEU  10  13.426   3.548  -2.122
  389   HD12  LEU  10          HD12      LEU  10  13.423   5.076  -3.004
  390   HD13  LEU  10          HD13      LEU  10  12.302   4.828  -1.666
  391   HD21  LEU  10          HD21      LEU  10  12.835   6.425  -0.189
  392   HD22  LEU  10          HD22      LEU  10  14.326   6.294   0.737
  393   HD23  LEU  10          HD23      LEU  10  13.181   4.955   0.716
  394    H    ILE  11           HN       ILE  11  12.726   3.266   1.425
  395    HA   ILE  11           HA       ILE  11  14.188   3.542   3.965
  396    HB   ILE  11           HB       ILE  11  12.464   5.763   2.822
  397   HG12  ILE  11          HG12      ILE  11  15.091   5.919   4.331
  398   HG13  ILE  11          HG11      ILE  11  14.988   5.878   2.575
  399   HG21  ILE  11          HG21      ILE  11  13.194   5.348   5.715
  400   HG22  ILE  11          HG22      ILE  11  11.583   5.158   5.025
  401   HG23  ILE  11          HG23      ILE  11  12.351   6.745   5.048
  402   HD11  ILE  11          HD11      ILE  11  15.297   8.147   3.307
  403   HD12  ILE  11          HD12      ILE  11  13.921   8.028   4.403
  404   HD13  ILE  11          HD13      ILE  11  13.666   7.978   2.660
  405    H1   ALA   1           HN       ALA   1 -12.240 -11.257   4.977
  406    HA   ALA   1           HA       ALA   1 -13.334 -12.139   7.398
  407    HB1  ALA   1           HB1      ALA   1 -14.034  -9.818   7.716
  408    HB2  ALA   1           HB2      ALA   1 -15.432 -10.884   7.490
  409    HB3  ALA   1           HB3      ALA   1 -14.863  -9.867   6.163
  410    H    DGL   2           HN       DGL   2 -15.921 -12.659   6.982
  411    HA   DGL   2           HA       DGL   2 -17.556 -13.580   5.605
  412    HB2  DGL   2           HB1      DGL   2 -16.456 -15.180   3.787
  413    HB3  DGL   2           HB2      DGL   2 -16.652 -15.625   5.466
  414    HG2  DGL   2           HG1      DGL   2 -14.402 -16.012   5.640
  415    HG3  DGL   2           HG2      DGL   2 -14.019 -14.360   5.199
  416    H    LYS   3           HN       LYS   3 -15.519 -15.072   2.587
  417    HA   LYS   3           HA       LYS   3 -15.200 -16.143   0.660
  418    HB2  LYS   3           HB2      LYS   3 -14.255 -13.869   0.624
  419    HB3  LYS   3           HB1      LYS   3 -12.633 -14.569   0.767
  420    HG2  LYS   3           HG2      LYS   3 -13.445 -16.117  -1.202
  421    HG3  LYS   3           HG1      LYS   3 -14.669 -14.887  -1.430
  422    HD2  LYS   3           HD2      LYS   3 -13.073 -13.125  -1.983
  423    HD3  LYS   3           HD1      LYS   3 -11.788 -14.144  -1.440
  424    HE2  LYS   3           HE2      LYS   3 -13.331 -14.416  -4.010
  425    HE3  LYS   3           HE1      LYS   3 -11.449 -14.286  -3.600
  426    HZ1  LYS   3           HZ1      LYS   3 -12.075 -16.293  -4.977
  427    HZ2  LYS   3           HZ2      LYS   3 -12.934 -16.721  -3.594
  428    HZ3  LYS   3           HZ3      LYS   3 -11.260 -16.528  -3.521
  429    H    DAL   4           HN       DAL   4 -15.408 -18.069   1.299
  430    HA   DAL   4           HA       DAL   4 -15.121 -20.594   1.228
  431    HB1  DAL   4           HB1      DAL   4 -12.609 -20.427   2.596
  432    HB2  DAL   4           HB2      DAL   4 -13.654 -21.811   2.336
  433    HB3  DAL   4           HB3      DAL   4 -14.179 -20.509   3.413
  434    H    DAL   5           HN       DAL   5 -15.676 -19.852  -1.094
  435    HA   DAL   5           HA       DAL   5 -15.453 -20.098  -3.715
  436    HB1  DAL   5           HB1      DAL   5 -14.514 -22.234  -2.556
  437    HB2  DAL   5           HB2      DAL   5 -12.987 -21.378  -2.405
  438    HB3  DAL   5           HB3      DAL   5 -13.616 -21.796  -3.993
  439    H1   ALA   1           HN       ALA   1  12.680  -3.841  -6.898
  440    HA   ALA   1           HA       ALA   1  13.592  -1.371  -7.808
  441    HB1  ALA   1           HB1      ALA   1  13.978  -0.846  -5.455
  442    HB2  ALA   1           HB2      ALA   1  15.502  -0.916  -6.355
  443    HB3  ALA   1           HB3      ALA   1  15.020  -2.258  -5.308
  444    H    DGL   2           HN       DGL   2  15.442  -1.574  -9.185
  445    HA   DGL   2           HA       DGL   2  17.428  -2.499  -9.712
  446    HB2  DGL   2           HB1      DGL   2  16.913  -5.012 -10.787
  447    HB3  DGL   2           HB2      DGL   2  16.149  -3.615 -11.523
  448    HG2  DGL   2           HG1      DGL   2  14.039  -4.418 -11.075
  449    HG3  DGL   2           HG2      DGL   2  14.403  -4.767  -9.398
  450    H    LYS   3           HN       LYS   3  15.373  -6.806  -8.914
  451    HA   LYS   3           HA       LYS   3  15.627  -8.963  -8.935
  452    HB2  LYS   3           HB2      LYS   3  13.164  -8.687  -9.183
  453    HB3  LYS   3           HB1      LYS   3  13.338  -9.204 -10.870
  454    HG2  LYS   3           HG2      LYS   3  14.856 -10.877  -9.012
  455    HG3  LYS   3           HG1      LYS   3  13.155 -10.834  -8.602
  456    HD2  LYS   3           HD2      LYS   3  12.571 -12.340 -10.184
  457    HD3  LYS   3           HD1      LYS   3  13.251 -11.274 -11.361
  458    HE2  LYS   3           HE1      LYS   3  14.646 -13.577 -10.016
  459    HE3  LYS   3           HE2      LYS   3  14.352 -13.105 -11.863
  460    HZ1  LYS   3           HZ1      LYS   3  16.674 -13.364 -11.661
  461    HZ2  LYS   3           HZ2      LYS   3  16.651 -12.494 -10.177
  462    HZ3  LYS   3           HZ3      LYS   3  16.316 -11.716 -11.636
  463    H    DAL   4           HN       DAL   4  17.404  -7.708 -10.139
  464    HA   DAL   4           HA       DAL   4  19.674  -8.004 -11.235
  465    HB1  DAL   4           HB1      DAL   4  18.384  -8.387 -13.764
  466    HB2  DAL   4           HB2      DAL   4  20.049  -7.964 -13.407
  467    HB3  DAL   4           HB3      DAL   4  18.760  -6.800 -13.068
  468    H    DAL   5           HN       DAL   5  19.599  -9.576  -9.228
  469    HA   DAL   5           HA       DAL   5  20.376 -11.822  -8.052
  470    HB1  DAL   5           HB1      DAL   5  21.927 -11.383 -10.072
  471    HB2  DAL   5           HB2      DAL   5  20.677 -12.064 -11.104
  472    HB3  DAL   5           HB3      DAL   5  21.520 -13.081  -9.944
  473    H1   ALA   1           HN       ALA   1 -17.178   1.463  -4.441
  474    HA   ALA   1           HA       ALA   1 -18.641  -0.580  -5.644
  475    HB1  ALA   1           HB1      ALA   1 -18.374  -0.976  -2.673
  476    HB2  ALA   1           HB2      ALA   1 -17.722  -2.049  -3.922
  477    HB3  ALA   1           HB3      ALA   1 -19.469  -1.851  -3.740
  478    H    DGL   2           HN       DGL   2 -21.053  -0.658  -4.781
  479    HA   DGL   2           HA       DGL   2 -22.695   0.270  -3.578
  480    HB2  DGL   2           HB1      DGL   2 -23.109   2.837  -4.436
  481    HB3  DGL   2           HB2      DGL   2 -23.106   1.575  -5.655
  482    HG2  DGL   2           HG1      DGL   2 -21.391   2.599  -6.792
  483    HG3  DGL   2           HG2      DGL   2 -20.361   2.642  -5.374
  484    H    LYS   3           HN       LYS   3 -20.144   4.517  -4.272
  485    HA   LYS   3           HA       LYS   3 -19.916   6.659  -3.973
  486    HB2  LYS   3           HB2      LYS   3 -20.071   6.529  -6.596
  487    HB3  LYS   3           HB1      LYS   3 -21.455   7.602  -6.323
  488    HG2  LYS   3           HG2      LYS   3 -18.745   8.004  -5.043
  489    HG3  LYS   3           HG1      LYS   3 -19.176   8.712  -6.584
  490    HD2  LYS   3           HD2      LYS   3 -19.930  10.575  -5.543
  491    HD3  LYS   3           HD1      LYS   3 -21.236   9.558  -5.046
  492    HE2  LYS   3           HE1      LYS   3 -18.845   9.470  -3.268
  493    HE3  LYS   3           HE2      LYS   3 -20.057  10.968  -3.341
  494    HZ1  LYS   3           HZ1      LYS   3 -20.118   8.745  -1.511
  495    HZ2  LYS   3           HZ2      LYS   3 -21.455   8.951  -2.512
  496    HZ3  LYS   3           HZ3      LYS   3 -20.921  10.227  -1.546
  497    H    DAL   4           HN       DAL   4 -21.919   5.037  -3.001
  498    HA   DAL   4           HA       DAL   4 -23.638   4.919  -1.136
  499    HB1  DAL   4           HB1      DAL   4 -25.333   6.775  -2.509
  500    HB2  DAL   4           HB2      DAL   4 -25.704   5.699  -1.174
  501    HB3  DAL   4           HB3      DAL   4 -25.348   5.022  -2.769
  502    H    DAL   5           HN       DAL   5 -21.570   5.299   0.110
  503    HA   DAL   5           HA       DAL   5 -20.161   6.381   2.070
  504    HB1  DAL   5           HB1      DAL   5 -22.645   6.671   2.650
  505    HB2  DAL   5           HB2      DAL   5 -22.708   8.022   1.528
  506    HB3  DAL   5           HB3      DAL   5 -21.765   8.141   3.007
  507    H1   ALA   1           HN       ALA   1  13.069   6.352  -8.194
  508    HA   ALA   1           HA       ALA   1  13.848   7.003 -10.794
  509    HB1  ALA   1           HB1      ALA   1  15.568   5.312 -10.557
  510    HB2  ALA   1           HB2      ALA   1  14.364   4.796 -11.750
  511    HB3  ALA   1           HB3      ALA   1  14.354   4.113 -10.120
  512    H    DGL   2           HN       DGL   2  12.586   5.390 -12.508
  513    HA   DGL   2           HA       DGL   2  10.881   3.967 -12.814
  514    HB2  DGL   2           HB1      DGL   2   8.545   5.424 -12.137
  515    HB3  DGL   2           HB2      DGL   2   9.546   5.964 -13.472
  516    HG2  DGL   2           HG1      DGL   2  10.118   7.934 -12.400
  517    HG3  DGL   2           HG2      DGL   2  10.379   7.168 -10.844
  518    H    LYS   3           HN       LYS   3   7.696   6.036 -10.759
  519    HA   LYS   3           HA       LYS   3   5.767   6.429  -9.847
  520    HB2  LYS   3           HB2      LYS   3   6.915   9.142  -9.283
  521    HB3  LYS   3           HB1      LYS   3   5.395   8.564  -8.578
  522    HG2  LYS   3           HG2      LYS   3   8.079   7.176  -8.379
  523    HG3  LYS   3           HG1      LYS   3   7.370   8.166  -7.122
  524    HD2  LYS   3           HD2      LYS   3   5.914   6.562  -6.324
  525    HD3  LYS   3           HD1      LYS   3   5.620   6.004  -7.932
  526    HE2  LYS   3           HE1      LYS   3   7.620   5.014  -5.985
  527    HE3  LYS   3           HE2      LYS   3   6.606   4.188  -7.403
  528    HZ1  LYS   3           HZ1      LYS   3   8.506   4.540  -8.859
  529    HZ2  LYS   3           HZ2      LYS   3   8.774   3.475  -7.536
  530    HZ3  LYS   3           HZ3      LYS   3   9.412   5.036  -7.527
  531    H    DAL   4           HN       DAL   4   4.113   6.168 -10.680
  532    HA   DAL   4           HA       DAL   4   2.673   6.860 -13.183
  533    HB1  DAL   4           HB1      DAL   4   1.186   8.447 -13.044
  534    HB2  DAL   4           HB2      DAL   4   2.751   9.207 -12.832
  535    HB3  DAL   4           HB3      DAL   4   1.667   9.041 -11.444
  536    H    DAL   5           HN       DAL   5   3.324   4.468 -12.169
  537    HA   DAL   5           HA       DAL   5   2.402   2.027 -11.538
  538    HB1  DAL   5           HB1      DAL   5  -0.148   2.482 -11.523
  539    HB2  DAL   5           HB2      DAL   5   0.679   3.068 -12.957
  540    HB3  DAL   5           HB3      DAL   5   0.190   4.190 -11.702
  541    H12  P1W 103           H12      TPL  10 -12.531  -5.430  -2.015
  542    H11  P1W 103           H11      TPL  10 -11.944  -6.720  -0.966
  543    H2   P1W 103           H2       TPL  10  -9.643  -6.288  -1.651
  544    H43  P1W 103           H42      TPL  10  -8.173  -4.327  -3.533
  545    H42  P1W 103           H41      TPL  10  -8.379  -6.075  -3.647
  546    H51  P1W 103           H51      TPL  10 -11.706  -3.533  -2.909
  547    H52  P1W 103           H52      TPL  10 -11.795  -4.413  -4.438
  548    H53  P1W 103           H53      TPL  10 -10.574  -3.159  -4.213
  549    H12  P1W 104           H12      TPL  11  -8.960  -5.985  -5.810
  550    H11  P1W 104           H11      TPL  11  -9.867  -4.484  -5.632
  551    H2   P1W 104           H2       TPL  11  -6.843  -4.737  -5.903
  552    H43  P1W 104           H42      TPL  11  -6.832  -1.361  -7.088
  553    H42  P1W 104           H41      TPL  11  -5.836  -2.807  -6.897
  554    H51  P1W 104           H51      TPL  11  -9.855  -3.286  -7.669
  555    H52  P1W 104           H52      TPL  11  -9.132  -1.679  -7.736
  556    H53  P1W 104           H53      TPL  11  -9.820  -2.276  -6.228
  557    H12  P1W 105           H12      TPL  11   8.317 -13.316  -1.719
  558    H11  P1W 105           H11      TPL  11   7.026 -13.999  -2.700
  559    H2   P1W 105           H2       TPL  11   9.049 -15.561  -1.044
  560    H43  P1W 105           H42      TPL  11   6.166 -17.927  -0.431
  561    H42  P1W 105           H41      TPL  11   7.787 -18.193  -1.075
  562    H51  P1W 105           H51      TPL  11   5.334 -14.945  -1.327
  563    H52  P1W 105           H52      TPL  11   4.964 -16.664  -1.455
  564    H53  P1W 105           H53      TPL  11   5.608 -15.794  -2.845
  565    H12  P1W 106           H12      TPL  12  -6.509  -3.625  -9.075
  566    H11  P1W 106           H11      TPL  12  -7.635  -2.285  -9.267
  567    H2   P1W 106           H2       TPL  12  -4.664  -1.823  -8.922
  568    H43  P1W 106           H43      TPL  12  -4.569  -0.096 -11.979
  569    H41  P1W 106           H41      TPL  12  -3.710  -0.238 -10.443
  570    H42  P1W 106           H42      TPL  12  -4.812   1.112 -10.715
  571    H51  P1W 106           H51      TPL  12  -7.057   0.474 -11.545
  572    H52  P1W 106           H52      TPL  12  -7.795  -0.078 -10.042
  573    H53  P1W 106           H53      TPL  12  -7.611  -1.194 -11.396
  574    H12  P1W 107           H12      TPL  12   8.805 -17.490   0.820
  575    H11  P1W 107           H11      TPL  12   7.599 -16.244   1.135
  576    H2   P1W 107           H2       TPL  12   6.038 -18.011   1.984
  577    H43  P1W 107           H43      TPL  12   7.570 -19.934   4.588
  578    H41  P1W 107           H41      TPL  12   6.961 -20.966   3.290
  579    H42  P1W 107           H42      TPL  12   6.028 -19.563   3.814
  580    H51  P1W 107           H51      TPL  12   9.772 -18.404   2.648
  581    H52  P1W 107           H52      TPL  12   9.464 -19.758   1.563
  582    H53  P1W 107           H53      TPL  12   9.547 -20.026   3.305
  583    H12  P1W 103           H12      TPL  10  10.061 -10.235  -4.925
  584    H11  P1W 103           H11      TPL  10   8.322 -10.032  -4.758
  585    H2   P1W 103           H2       TPL  10   9.383 -11.610  -2.516
  586    H43  P1W 103           H42      TPL  10   8.597 -14.850  -4.291
  587    H42  P1W 103           H41      TPL  10   9.963 -14.432  -3.264
  588    H51  P1W 103           H51      TPL  10   8.297 -12.272  -6.202
  589    H52  P1W 103           H52      TPL  10   9.020 -13.879  -6.108
  590    H53  P1W 103           H53      TPL  10  10.053 -12.448  -6.150
  591    H12  P1W 103           H12      TPL  10  -9.842   6.305  -1.205
  592    H11  P1W 103           H11      TPL  10 -10.809   7.666  -0.649
  593    H2   P1W 103           H2       TPL  10 -11.638   5.945  -3.039
  594    H43  P1W 103           H42      TPL  10 -12.333   7.260  -4.957
  595    H42  P1W 103           H41      TPL  10 -12.670   8.958  -4.625
  596    H51  P1W 103           H51      TPL  10  -9.635   9.344  -3.211
  597    H52  P1W 103           H52      TPL  10 -10.445   9.161  -1.654
  598    H53  P1W 103           H53      TPL  10 -11.181  10.144  -2.923
  599    H12  P1W 103           H12      TPL  10  11.213   8.375  -0.370
  600    H11  P1W 103           H11      TPL  10   9.783   7.546   0.223
  601    H2   P1W 103           H2       TPL  10   9.918   7.706  -2.740
  602    H43  P1W 103           H42      TPL  10   7.941  10.665  -3.149
  603    H42  P1W 103           H41      TPL  10   8.643   9.251  -3.957
  604    H51  P1W 103           H51      TPL  10   7.362   9.968  -0.437
  605    H52  P1W 103           H52      TPL  10   8.658  11.104  -0.816
  606    H53  P1W 103           H53      TPL  10   8.972   9.728   0.246
  607    H12  P1W 104           H12      TPL  11 -10.040   9.123  -5.164
  608    H11  P1W 104           H11      TPL  11 -10.426   7.707  -6.134
  609    H2   P1W 104           H2       TPL  11 -12.226   9.048  -7.293
  610    H43  P1W 104           H42      TPL  11 -10.996  12.329  -8.300
  611    H42  P1W 104           H41      TPL  11 -12.189  11.085  -8.672
  612    H51  P1W 104           H51      TPL  11  -9.270  11.390  -6.062
  613    H52  P1W 104           H52      TPL  11 -10.513  11.234  -4.820
  614    H53  P1W 104           H53      TPL  11 -10.502  12.638  -5.885
  615    H12  P1W 105           H12      TPL  11   6.855   7.906  -3.459
  616    H11  P1W 105           H11      TPL  11   6.357   8.857  -2.056
  617    H2   P1W 105           H2       TPL  11   6.067   9.698  -4.991
  618    H43  P1W 105           H42      TPL  11   2.533  10.302  -4.380
  619    H42  P1W 105           H41      TPL  11   3.570  11.727  -4.294
  620    H51  P1W 105           H51      TPL  11   4.476   9.975  -1.491
  621    H52  P1W 105           H52      TPL  11   3.879   8.464  -2.178
  622    H53  P1W 105           H53      TPL  11   2.870   9.908  -2.213
  623    H12  P1W 106           H12      TPL  12 -13.278  12.149  -6.430
  624    H11  P1W 106           H11      TPL  12 -12.481  13.568  -7.105
  625    H2   P1W 106           H2       TPL  12 -13.803  13.448  -9.114
  626    H43  P1W 106           H43      TPL  12 -15.916  12.937 -10.112
  627    H41  P1W 106           H41      TPL  12 -17.134  12.755  -8.847
  628    H42  P1W 106           H42      TPL  12 -16.570  11.342  -9.738
  629    H51  P1W 106           H51      TPL  12 -16.346  10.443  -7.562
  630    H52  P1W 106           H52      TPL  12 -15.764  11.537  -6.308
  631    H53  P1W 106           H53      TPL  12 -14.655  10.390  -7.061
  632    H12  P1W 107           H12      TPL  12   4.831  11.023  -6.203
  633    H11  P1W 107           H11      TPL  12   4.045   9.447  -6.216
  634    H2   P1W 107           H2       TPL  12   2.526  12.030  -6.652
  635    H43  P1W 107           H43      TPL  12   0.301  10.413  -8.759
  636    H41  P1W 107           H41      TPL  12   1.525  11.074  -9.847
  637    H42  P1W 107           H42      TPL  12   0.979  12.015  -8.459
  638    H51  P1W 107           H51      TPL  12   1.878   8.485  -8.805
  639    H52  P1W 107           H52      TPL  12   3.109   8.468  -7.543
  640    H53  P1W 107           H53      TPL  12   3.501   9.084  -9.148
  641    H1   MUB 101           H1       NAM   6 -12.728  -7.506   3.116
  642    H2   MUB 101           H2       NAM   6 -10.599  -7.529   4.094
  643    HN2  MUB 101           HN2      NAM   6  -8.977  -6.848   2.641
  644    H81  MUB 101           H81      NAM   6  -6.769  -7.955   1.720
  645    H82  MUB 101           H82      NAM   6  -7.685  -7.327   0.354
  646    H83  MUB 101           H83      NAM   6  -7.190  -9.015   0.343
  647    H3   MUB 101           H3       NAM   6 -10.100 -10.135   2.515
  648    H9   MUB 101           H9       NAM   6 -11.316  -8.932   5.153
  649   H111  MUB 101          H111      NAM   6  -8.525  -8.576   6.220
  650   H112  MUB 101          H112      NAM   6  -9.851  -8.159   7.259
  651   H113  MUB 101          H113      NAM   6  -9.791  -7.361   5.726
  652    H4A  MUB 101           H4       NAM   6 -12.764  -9.989   4.067
  653    H5   MUB 101           H5       NAM   6 -12.581 -10.488   1.084
  654    H61  MUB 101           H61      NAM   6 -14.659 -10.644   1.525
  655    H62  MUB 101           H62      NAM   6 -14.747  -8.871   1.238
  656    HO6  MUB 101           HO6      NAM   6 -15.300 -10.334   3.482
  657    H1   NAG 102           H1       NAG   7 -10.198 -11.852   3.060
  658    H2   NAG 102           H2       NAG   7 -12.140 -14.253   2.687
  659    H3   NAG 102           H3       NAG   7  -9.107 -14.214   2.561
  660    H4   NAG 102           H4       NAG   7 -10.843 -14.660   0.166
  661    H5   NAG 102           H5       NAG   7  -9.205 -12.012   0.897
  662    H61  NAG 102           H61      NAG   7 -11.144 -12.360  -1.377
  663    H62  NAG 102           H62      NAG   7  -9.398 -12.516  -1.480
  664    H81  NAG 102           H81      NAG   7 -10.224 -15.133   6.652
  665    H82  NAG 102           H82      NAG   7 -11.044 -13.615   6.983
  666    H83  NAG 102           H83      NAG   7  -9.286 -13.654   7.016
  667    HN2  NAG 102           HN2      NAG   7 -11.973 -14.424   4.726
  668    HO3  NAG 102           HO3      NAG   7 -11.237 -16.030   2.019
  669    HO4  NAG 102           HO4      NAG   7  -8.724 -15.422   0.323
  670    HO6  NAG 102           HO6      NAG   7  -9.859 -10.306  -0.141
  671    H1   MUB 101           H1       NAM   6  12.455  -6.543  -3.645
  672    H2   MUB 101           H2       NAM   6  10.638  -5.209  -3.681
  673    HN2  MUB 101           HN2      NAM   6   8.719  -6.462  -3.352
  674    H81  MUB 101           H81      NAM   6   6.576  -7.664  -5.982
  675    H82  MUB 101           H82      NAM   6   6.523  -6.831  -4.432
  676    H83  MUB 101           H83      NAM   6   7.137  -8.480  -4.494
  677    H3   MUB 101           H3       NAM   6  10.081  -6.196  -6.572
  678    H9   MUB 101           H9       NAM   6  11.562  -3.881  -5.034
  679   H111  MUB 101          H111      NAM   6   8.872  -3.097  -4.049
  680   H112  MUB 101          H112      NAM   6  10.147  -1.974  -3.694
  681   H113  MUB 101          H113      NAM   6  10.376  -3.600  -3.151
  682    H4A  MUB 101           H4       NAM   6  12.793  -4.885  -5.908
  683    H5   MUB 101           H5       NAM   6  12.734  -7.705  -6.985
  684    H61  MUB 101           H61      NAM   6  14.387  -8.257  -5.448
  685    H62  MUB 101           H62      NAM   6  14.416  -6.629  -4.722
  686    HO6  MUB 101           HO6      NAM   6  15.222  -5.974  -6.840
  687    H1   NAG 102           H1       NAG   7  10.426  -5.483  -8.241
  688    H2   NAG 102           H2       NAG   7  12.690  -5.619 -10.384
  689    H3   NAG 102           H3       NAG   7   9.712  -5.694 -10.822
  690    H4   NAG 102           H4       NAG   7  11.471  -8.075 -11.238
  691    H5   NAG 102           H5       NAG   7   9.441  -7.593  -8.810
  692    H61  NAG 102           H61      NAG   7  11.319  -9.897  -9.249
  693    H62  NAG 102           H62      NAG   7   9.573  -9.883  -9.432
  694    H81  NAG 102           H81      NAG   7  10.929  -1.558 -10.947
  695    H82  NAG 102           H82      NAG   7  11.661  -1.431  -9.354
  696    H83  NAG 102           H83      NAG   7   9.910  -1.332  -9.495
  697    HN2  NAG 102           HN2      NAG   7  12.562  -3.608 -10.397
  698    HO3  NAG 102           HO3      NAG   7  11.364  -4.945 -12.351
  699    HO4  NAG 102           HO4      NAG   7   9.526  -7.831 -12.319
  700    HO6  NAG 102           HO6      NAG   7  10.875  -8.923  -7.089
  701    H1   MUB 101           H1       NAM   6 -14.930   2.907  -0.826
  702    H2   MUB 101           H2       NAM   6 -13.921   1.672  -2.353
  703    HN2  MUB 101           HN2      NAM   6 -11.822   2.427  -2.729
  704    H81  MUB 101           H81      NAM   6 -10.256   4.353  -3.490
  705    H82  MUB 101           H82      NAM   6 -10.738   4.984  -5.059
  706    H83  MUB 101           H83      NAM   6 -10.458   3.258  -4.888
  707    H3   MUB 101           H3       NAM   6 -14.593   3.904  -4.448
  708    H9   MUB 101           H9       NAM   6 -15.193   0.921  -3.613
  709   H111  MUB 101          H111      NAM   6 -13.524  -1.038  -3.714
  710   H112  MUB 101          H112      NAM   6 -12.855   0.542  -3.448
  711   H113  MUB 101          H113      NAM   6 -12.711  -0.098  -5.048
  712    H4A  MUB 101           H4       NAM   6 -16.721   2.021  -3.178
  713    H5   MUB 101           H5       NAM   6 -17.025   4.968  -2.802
  714    H61  MUB 101           H61      NAM   6 -18.346   3.492  -1.638
  715    H62  MUB 101           H62      NAM   6 -17.493   4.532  -0.439
  716    HO6  MUB 101           HO6      NAM   6 -17.551   2.027  -0.231
  717    H1   NAG 102           H1       NAG   7 -15.827   3.839  -5.837
  718    H2   NAG 102           H2       NAG   7 -18.840   4.453  -6.439
  719    H3   NAG 102           H3       NAG   7 -16.413   5.046  -8.113
  720    H4   NAG 102           H4       NAG   7 -18.013   7.176  -6.748
  721    H5   NAG 102           H5       NAG   7 -15.108   6.126  -5.911
  722    H61  NAG 102           H61      NAG   7 -16.846   8.137  -4.511
  723    H62  NAG 102           H62      NAG   7 -15.415   8.449  -5.474
  724    H81  NAG 102           H81      NAG   7 -16.326   0.619  -8.842
  725    H82  NAG 102           H82      NAG   7 -17.961   1.128  -9.238
  726    H83  NAG 102           H83      NAG   7 -17.666   0.346  -7.689
  727    HN2  NAG 102           HN2      NAG   7 -18.871   2.592  -7.207
  728    HO3  NAG 102           HO3      NAG   7 -18.469   4.742  -9.048
  729    HO4  NAG 102           HO4      NAG   7 -16.812   7.564  -8.613
  730    HO6  NAG 102           HO6      NAG   7 -15.580   6.613  -3.281
  731    H1   MUB 101           H1       NAM   6  11.565   5.901  -5.500
  732    H2   MUB 101           H2       NAM   6  13.736   5.982  -4.817
  733    HN2  MUB 101           HN2      NAM   6  14.027   6.618  -2.657
  734    H81  MUB 101           H81      NAM   6  15.212   8.617  -1.399
  735    H82  MUB 101           H82      NAM   6  13.569   8.452  -0.790
  736    H83  MUB 101           H83      NAM   6  14.100  10.017  -1.396
  737    H3   MUB 101           H3       NAM   6  13.555   9.083  -5.088
  738    H9   MUB 101           H9       NAM   6  14.145   6.518  -6.816
  739   H111  MUB 101          H111      NAM   6  16.493   6.072  -5.067
  740   H112  MUB 101          H112      NAM   6  16.418   5.044  -6.464
  741   H113  MUB 101          H113      NAM   6  15.044   5.021  -5.415
  742    H4A  MUB 101           H4       NAM   6  12.765   7.547  -7.600
  743    H5   MUB 101           H5       NAM   6  10.627   9.221  -6.348
  744    H61  MUB 101           H61      NAM   6  10.243   7.735  -8.180
  745    H62  MUB 101           H62      NAM   6   9.077   7.368  -6.867
  746    HO6  MUB 101           HO6      NAM   6  10.986   5.785  -8.098
  747    H1   NAG 102           H1       NAG   7  14.035  10.386  -6.330
  748    H2   NAG 102           H2       NAG   7  12.339  11.941  -8.444
  749    H3   NAG 102           H3       NAG   7  14.430  13.041  -6.526
  750    H4   NAG 102           H4       NAG   7  11.506  13.611  -6.299
  751    H5   NAG 102           H5       NAG   7  13.219  11.660  -4.424
  752    H61  NAG 102           H61      NAG   7  10.241  12.176  -4.369
  753    H62  NAG 102           H62      NAG   7  11.474  12.781  -3.263
  754    H81  NAG 102           H81      NAG   7  17.390  10.705  -9.068
  755    H82  NAG 102           H82      NAG   7  16.533  11.833 -10.109
  756    H83  NAG 102           H83      NAG   7  16.082  10.134 -10.147
  757    HN2  NAG 102           HN2      NAG   7  13.935  11.585  -9.699
  758    HO3  NAG 102           HO3      NAG   7  13.937  14.018  -8.571
  759    HO4  NAG 102           HO4      NAG   7  13.067  15.008  -5.485
  760    HO6  NAG 102           HO6      NAG   7  11.886  10.207  -3.498
  Start of MODEL    9
    1    H    ZAE   1           HN1      DPH   1   9.335 -15.602   0.964
    2    HA   ZAE   1           HA       DPH   1   7.775 -15.089  -0.708
    3    HB2  ZAE   1           HB1      DPH   1  10.007 -13.285  -1.540
    4    HB3  ZAE   1           HB2      DPH   1  10.391 -14.959  -1.158
    5    HD1  ZAE   1           HD1      DPH   1   9.884 -16.711  -2.682
    6    HD2  ZAE   1           HD2      DPH   1   8.373 -12.782  -3.387
    7    HE1  ZAE   1           HE1      DPH   1   9.190 -17.368  -4.952
    8    HE2  ZAE   1           HE2      DPH   1   7.686 -13.450  -5.646
    9    HZ   ZAE   1           HZ       DPH   1   8.101 -15.732  -6.431
   10    H11  ZAE   1          HN11      DPH   1   9.850 -12.731   1.326
   11    H12  ZAE   1          HN12      DPH   1  10.911 -13.838   0.456
   12    H13  ZAE   1          HN13      DPH   1  10.619 -14.073   2.179
   13    HN2  ZAE   1           HN2      DPH   1   8.259 -14.483   1.640
   14    H    ILE   2           HN       ILE   2   5.967 -13.864  -0.234
   15    HA   ILE   2           HA       ILE   2   6.324 -10.950  -0.396
   16    HB   ILE   2           HB       ILE   2   4.607 -10.658  -1.905
   17   HG12  ILE   2          HG12      ILE   2   3.352 -13.347  -1.714
   18   HG13  ILE   2          HG11      ILE   2   3.143 -12.267  -0.346
   19   HG21  ILE   2          HG21      ILE   2   4.783 -12.282  -3.730
   20   HG22  ILE   2          HG22      ILE   2   5.570 -13.422  -2.637
   21   HG23  ILE   2          HG23      ILE   2   6.360 -11.899  -3.038
   22   HD11  ILE   2          HD11      ILE   2   1.303 -12.185  -1.974
   23   HD12  ILE   2          HD12      ILE   2   2.434 -11.551  -3.171
   24   HD13  ILE   2          HD13      ILE   2   2.083 -10.625  -1.712
   25    H    SER   3           HN       SER   3   4.853  -9.722   0.842
   26    HA   SER   3           HA       SER   3   2.944 -11.100   2.532
   27    HB2  SER   3           HB2      SER   3   5.137  -9.456   3.796
   28    HB3  SER   3           HB1      SER   3   3.758 -10.149   4.635
   29    HG   SER   3           HG       SER   3   4.885 -12.142   3.394
   30    H    DAR   4           HN       DAR   4   1.314  -9.873   3.265
   31    HA   DAR   4           HA       DAR   4   1.227  -7.117   2.247
   32    HB2  DAR   4           HB1      DAR   4  -0.372  -8.203   4.540
   33    HB3  DAR   4           HB2      DAR   4  -0.142  -6.520   4.080
   34    HG2  DAR   4           HG1      DAR   4   2.233  -8.151   4.810
   35    HG3  DAR   4           HG2      DAR   4   1.163  -7.561   6.088
   36    HD2  DAR   4           HD1      DAR   4   2.942  -5.971   5.724
   37    HD3  DAR   4           HD2      DAR   4   1.412  -5.276   5.195
   38    HE   DAR   4           HE       DAR   4   2.801  -6.544   3.063
   39   HH11  DAR   4          HH21      DAR   4   3.950  -3.502   1.719
   40   HH12  DAR   4          HH22      DAR   4   3.689  -5.252   1.403
   41   HH21  DAR   4          HH11      DAR   4   3.379  -2.599   3.755
   42   HH22  DAR   4          HH12      DAR   4   2.665  -3.645   5.033
   43    HA   28J   5           HA       28J   5  -2.647  -8.348   0.692
   44    H22  28J   5           HB       28J   5  -0.972  -7.990  -1.811
   45    H23  28J   5          HG21      28J   5  -1.810 -10.457  -0.293
   46    H24  28J   5          HG22      28J   5  -0.183  -9.780  -0.351
   47    H25  28J   5          HG23      28J   5  -0.916 -10.445  -1.812
   48    H26  28J   5          HG11      28J   5  -3.565  -7.822  -2.005
   49    H27  28J   5          HG12      28J   5  -3.555  -9.537  -1.608
   50    H28  28J   5          HD11      28J   5  -3.681  -9.187  -4.004
   51    H29  28J   5          HD12      28J   5  -2.178  -9.994  -3.560
   52    H30  28J   5          HD13      28J   5  -2.170  -8.278  -3.964
   53    H    ILE   6           HN       ILE   6  -4.348  -7.400  -0.352
   54    HA   ILE   6           HA       ILE   6  -4.205  -4.472  -0.650
   55    HB   ILE   6           HB       ILE   6  -5.778  -4.695  -2.514
   56   HG12  ILE   6          HG12      ILE   6  -5.294  -7.613  -2.720
   57   HG13  ILE   6          HG11      ILE   6  -6.519  -7.023  -1.617
   58   HG21  ILE   6          HG21      ILE   6  -3.730  -4.511  -3.465
   59   HG22  ILE   6          HG22      ILE   6  -4.159  -6.114  -4.064
   60   HG23  ILE   6          HG23      ILE   6  -3.096  -5.950  -2.665
   61   HD11  ILE   6          HD11      ILE   6  -7.652  -5.933  -3.397
   62   HD12  ILE   6          HD12      ILE   6  -7.416  -7.651  -3.752
   63   HD13  ILE   6          HD13      ILE   6  -6.389  -6.435  -4.517
   64    H    SER   7           HN       SER   7  -5.417  -3.600   1.108
   65    HA   SER   7           HA       SER   7  -8.217  -4.336   1.221
   66    HB2  SER   7           HB2      SER   7  -6.776  -4.609   3.865
   67    HB3  SER   7           HB1      SER   7  -8.423  -5.112   3.451
   68    HG   SER   7           HG       SER   7  -7.254  -6.534   1.879
   69    H    DTH   8           HN       DTC   8  -9.002  -3.235   3.578
   70    HA   DTH   8           HA       DTC   8  -8.061  -0.426   3.533
   71    HB   DTH   8           HB       DTC   8  -8.845  -0.103   5.791
   72   HG21  DTH   8          HG21      DTC   8  -6.677  -1.281   5.551
   73   HG22  DTH   8          HG22      DTC   8  -7.512  -2.835   5.579
   74   HG23  DTH   8          HG23      DTC   8  -7.536  -1.793   7.002
   75    H    ALA   9           HN       ALA   9 -10.472  -2.274   2.322
   76    HA   ALA   9           HA       ALA   9 -12.334  -0.196   1.871
   77    HB1  ALA   9           HB1      ALA   9 -11.749  -2.391   0.531
   78    HB2  ALA   9           HB2      ALA   9 -13.372  -1.704   0.480
   79    HB3  ALA   9           HB3      ALA   9 -13.023  -3.070   1.540
   80    H    LEU  10           HN       LEU  10 -12.442  -3.239   3.413
   81    HA   LEU  10           HA       LEU  10 -14.936  -2.643   4.796
   82    HB2  LEU  10           HB2      LEU  10 -13.088  -5.032   5.006
   83    HB3  LEU  10           HB1      LEU  10 -14.551  -4.852   5.950
   84    HG   LEU  10           HG       LEU  10 -15.943  -5.045   4.037
   85   HD11  LEU  10          HD11      LEU  10 -13.557  -5.163   2.240
   86   HD12  LEU  10          HD12      LEU  10 -14.353  -3.641   2.636
   87   HD13  LEU  10          HD13      LEU  10 -15.252  -4.920   1.822
   88   HD21  LEU  10          HD21      LEU  10 -13.694  -7.032   4.064
   89   HD22  LEU  10          HD22      LEU  10 -15.050  -7.186   2.947
   90   HD23  LEU  10          HD23      LEU  10 -15.333  -7.204   4.688
   91    H    ILE  11           HN       ILE  11 -11.568  -3.214   5.694
   92    HA   ILE  11           HA       ILE  11 -12.135  -1.745   8.210
   93    HB   ILE  11           HB       ILE  11 -10.261  -4.129   8.167
   94   HG12  ILE  11          HG12      ILE  11 -13.066  -4.152   9.313
   95   HG13  ILE  11          HG11      ILE  11 -12.666  -4.847   7.746
   96   HG21  ILE  11          HG21      ILE  11 -11.566  -2.613  10.418
   97   HG22  ILE  11          HG22      ILE  11  -9.895  -2.433   9.884
   98   HG23  ILE  11          HG23      ILE  11 -10.437  -3.957  10.588
   99   HD11  ILE  11          HD11      ILE  11 -11.511  -5.711  10.394
  100   HD12  ILE  11          HD12      ILE  11 -11.165  -6.435   8.824
  101   HD13  ILE  11          HD13      ILE  11 -12.789  -6.540   9.506
  102    H    ZAE   1           HN1      DPH   1 -10.351   4.118   0.492
  103    HA   ZAE   1           HA       DPH   1  -8.951   3.340  -1.516
  104    HB2  ZAE   1           HB1      DPH   1 -11.134   1.426  -0.840
  105    HB3  ZAE   1           HB2      DPH   1 -11.526   3.142  -0.967
  106    HD1  ZAE   1           HD1      DPH   1 -12.598   3.505  -2.958
  107    HD2  ZAE   1           HD2      DPH   1  -9.169   0.981  -2.892
  108    HE1  ZAE   1           HE1      DPH   1 -12.649   3.381  -5.417
  109    HE2  ZAE   1           HE2      DPH   1  -9.227   0.834  -5.351
  110    HZ   ZAE   1           HZ       DPH   1 -10.966   2.042  -6.616
  111    H11  ZAE   1          HN11      DPH   1 -10.271   1.881   1.530
  112    H12  ZAE   1          HN12      DPH   1  -9.828   3.254   2.545
  113    H13  ZAE   1          HN13      DPH   1  -8.572   2.229   1.850
  114    HN2  ZAE   1           HN2      DPH   1  -8.656   4.152   0.538
  115    H    ILE   2           HN       ILE   2  -6.920   2.342  -1.121
  116    HA   ILE   2           HA       ILE   2  -7.076  -0.462  -0.286
  117    HB   ILE   2           HB       ILE   2  -6.791  -1.117  -2.426
  118   HG12  ILE   2          HG12      ILE   2  -4.211  -0.564  -3.166
  119   HG13  ILE   2          HG11      ILE   2  -4.141  -0.388  -1.420
  120   HG21  ILE   2          HG21      ILE   2  -5.618   0.521  -4.141
  121   HG22  ILE   2          HG22      ILE   2  -6.137   1.723  -2.954
  122   HG23  ILE   2          HG23      ILE   2  -7.317   0.651  -3.703
  123   HD11  ILE   2          HD11      ILE   2  -5.087  -2.812  -2.903
  124   HD12  ILE   2          HD12      ILE   2  -5.042  -2.631  -1.148
  125   HD13  ILE   2          HD13      ILE   2  -3.541  -2.626  -2.075
  126    H    SER   3           HN       SER   3  -5.509  -1.086   1.002
  127    HA   SER   3           HA       SER   3  -3.141   0.600   1.283
  128    HB2  SER   3           HB2      SER   3  -4.755  -0.371   3.636
  129    HB3  SER   3           HB1      SER   3  -3.233   0.506   3.718
  130    HG   SER   3           HG       SER   3  -5.762   1.431   2.855
  131    H    DAR   4           HN       DAR   4  -1.324  -0.362   1.750
  132    HA   DAR   4           HA       DAR   4  -1.407  -3.300   1.961
  133    HB2  DAR   4           HB1      DAR   4   0.738  -1.518   3.087
  134    HB3  DAR   4           HB2      DAR   4   0.572  -3.255   3.303
  135    HG2  DAR   4           HG1      DAR   4  -1.563  -1.389   4.248
  136    HG3  DAR   4           HG2      DAR   4  -0.117  -1.692   5.214
  137    HD2  DAR   4           HD1      DAR   4  -1.766  -3.216   5.966
  138    HD3  DAR   4           HD2      DAR   4  -0.615  -4.145   5.006
  139    HE   DAR   4           HE       DAR   4  -2.690  -3.301   3.337
  140   HH11  DAR   4          HH21      DAR   4  -4.695  -6.168   3.679
  141   HH12  DAR   4          HH22      DAR   4  -4.373  -4.696   2.696
  142   HH21  DAR   4          HH11      DAR   4  -3.439  -6.606   5.548
  143   HH22  DAR   4          HH12      DAR   4  -2.103  -5.496   6.016
  144    HA   28J   5           HA       28J   5   1.597  -3.001  -1.171
  145    H22  28J   5           HB       28J   5  -1.017  -3.392  -2.270
  146    H23  28J   5          HG21      28J   5   1.583  -2.564  -3.555
  147    H24  28J   5          HG22      28J   5   0.480  -1.496  -2.688
  148    H25  28J   5          HG23      28J   5  -0.030  -2.258  -4.195
  149    H26  28J   5          HG11      28J   5  -0.326  -5.672  -2.852
  150    H27  28J   5          HG12      28J   5   1.158  -5.056  -3.569
  151    H28  28J   5          HD11      28J   5  -0.461  -5.645  -5.275
  152    H29  28J   5          HD12      28J   5  -0.134  -3.911  -5.288
  153    H30  28J   5          HD13      28J   5  -1.627  -4.521  -4.572
  154    H    ILE   6           HN       ILE   6   3.079  -4.399  -2.078
  155    HA   ILE   6           HA       ILE   6   2.956  -7.207  -1.159
  156    HB   ILE   6           HB       ILE   6   2.313  -7.358  -3.408
  157   HG12  ILE   6          HG12      ILE   6   5.264  -7.738  -3.698
  158   HG13  ILE   6          HG11      ILE   6   4.305  -8.807  -2.682
  159   HG21  ILE   6          HG21      ILE   6   3.133  -6.173  -5.240
  160   HG22  ILE   6          HG22      ILE   6   4.610  -5.699  -4.400
  161   HG23  ILE   6          HG23      ILE   6   3.065  -4.984  -3.942
  162   HD11  ILE   6          HD11      ILE   6   4.728  -9.653  -4.957
  163   HD12  ILE   6          HD12      ILE   6   3.787  -8.295  -5.589
  164   HD13  ILE   6          HD13      ILE   6   3.019  -9.499  -4.550
  165    H    SER   7           HN       SER   7   4.667  -7.310   0.345
  166    HA   SER   7           HA       SER   7   7.328  -7.074  -0.714
  167    HB2  SER   7           HB2      SER   7   8.142  -5.449   1.050
  168    HB3  SER   7           HB1      SER   7   7.165  -4.745  -0.253
  169    HG   SER   7           HG       SER   7   6.658  -4.946   2.413
  170    H    DTH   8           HN       DTC   8   8.977  -7.732   0.704
  171    HA   DTH   8           HA       DTC   8   8.088  -9.522   2.871
  172    HB   DTH   8           HB       DTC   8  10.065  -9.007   4.244
  173   HG21  DTH   8          HG21      DTC   8   8.614  -6.478   3.360
  174   HG22  DTH   8          HG22      DTC   8   9.481  -6.693   4.882
  175   HG23  DTH   8          HG23      DTC   8   8.024  -7.631   4.554
  176    H    ALA   9           HN       ALA   9   9.920  -9.165   0.023
  177    HA   ALA   9           HA       ALA   9  11.011 -11.770   0.012
  178    HB1  ALA   9           HB1      ALA   9  11.786 -11.121  -2.215
  179    HB2  ALA   9           HB2      ALA   9  11.440  -9.434  -1.867
  180    HB3  ALA   9           HB3      ALA   9  10.127 -10.599  -2.006
  181    H    LEU  10           HN       LEU  10  12.322  -8.772  -0.554
  182    HA   LEU  10           HA       LEU  10  15.029  -9.386   0.127
  183    HB2  LEU  10           HB2      LEU  10  14.889  -8.054  -1.776
  184    HB3  LEU  10           HB1      LEU  10  13.487  -7.187  -1.180
  185    HG   LEU  10           HG       LEU  10  15.876  -6.617   0.411
  186   HD11  LEU  10          HD11      LEU  10  17.076  -7.028  -1.566
  187   HD12  LEU  10          HD12      LEU  10  16.921  -5.276  -1.414
  188   HD13  LEU  10          HD13      LEU  10  15.894  -6.160  -2.544
  189   HD21  LEU  10          HD21      LEU  10  14.508  -4.548  -1.262
  190   HD22  LEU  10          HD22      LEU  10  15.116  -4.438   0.390
  191   HD23  LEU  10          HD23      LEU  10  13.600  -5.280   0.061
  192    H    ILE  11           HN       ILE  11  12.427  -7.239   1.147
  193    HA   ILE  11           HA       ILE  11  13.925  -6.778   3.681
  194    HB   ILE  11           HB       ILE  11  12.733  -4.793   1.886
  195   HG12  ILE  11          HG12      ILE  11  14.271  -4.369   4.467
  196   HG13  ILE  11          HG11      ILE  11  15.047  -4.695   2.921
  197   HG21  ILE  11          HG21      ILE  11  11.887  -4.752   4.777
  198   HG22  ILE  11          HG22      ILE  11  10.831  -5.020   3.390
  199   HG23  ILE  11          HG23      ILE  11  11.624  -3.458   3.608
  200   HD11  ILE  11          HD11      ILE  11  15.102  -2.332   3.383
  201   HD12  ILE  11          HD12      ILE  11  13.356  -2.298   3.622
  202   HD13  ILE  11          HD13      ILE  11  14.021  -2.628   2.022
  203    H    ZAE   1           HN1      DPH   1   9.331  -5.026  -1.340
  204    HA   ZAE   1           HA       DPH   1   7.730  -4.472  -2.846
  205    HB2  ZAE   1           HB1      DPH   1   9.858  -2.571  -3.770
  206    HB3  ZAE   1           HB2      DPH   1  10.126  -4.306  -3.734
  207    HD1  ZAE   1           HD1      DPH   1   9.385  -5.665  -5.502
  208    HD2  ZAE   1           HD2      DPH   1   7.895  -1.686  -5.123
  209    HE1  ZAE   1           HE1      DPH   1   8.298  -5.872  -7.701
  210    HE2  ZAE   1           HE2      DPH   1   6.799  -1.886  -7.321
  211    HZ   ZAE   1           HZ       DPH   1   6.995  -3.983  -8.612
  212    H11  ZAE   1          HN11      DPH   1  10.296  -2.250  -1.314
  213    H12  ZAE   1          HN12      DPH   1  11.040  -3.569  -2.216
  214    H13  ZAE   1          HN13      DPH   1  10.998  -3.617  -0.452
  215    HN2  ZAE   1           HN2      DPH   1   8.575  -3.717  -0.562
  216    H    ILE   2           HN       ILE   2   5.894  -3.349  -2.385
  217    HA   ILE   2           HA       ILE   2   6.082  -0.421  -2.226
  218    HB   ILE   2           HB       ILE   2   5.308  -0.470  -4.412
  219   HG12  ILE   2          HG12      ILE   2   2.761  -0.738  -2.801
  220   HG13  ILE   2          HG11      ILE   2   3.657   0.747  -3.101
  221   HG21  ILE   2          HG21      ILE   2   3.960  -2.145  -5.452
  222   HG22  ILE   2          HG22      ILE   2   3.567  -2.873  -3.893
  223   HG23  ILE   2          HG23      ILE   2   5.215  -2.957  -4.516
  224   HD11  ILE   2          HD11      ILE   2   3.188   0.482  -5.511
  225   HD12  ILE   2          HD12      ILE   2   1.742   0.685  -4.520
  226   HD13  ILE   2          HD13      ILE   2   2.184  -0.914  -5.119
  227    H    SER   3           HN       SER   3   4.891   0.451  -0.680
  228    HA   SER   3           HA       SER   3   2.682  -1.094   0.419
  229    HB2  SER   3           HB2      SER   3   4.886   0.074   2.100
  230    HB3  SER   3           HB1      SER   3   3.357  -0.523   2.740
  231    HG   SER   3           HG       SER   3   5.491  -1.955   1.582
  232    H    DAR   4           HN       DAR   4   1.096   0.043   1.369
  233    HA   DAR   4           HA       DAR   4   1.224   2.954   0.914
  234    HB2  DAR   4           HB1      DAR   4  -0.371   1.544   3.051
  235    HB3  DAR   4           HB2      DAR   4  -0.260   3.279   2.800
  236    HG2  DAR   4           HG1      DAR   4   2.189   1.665   3.390
  237    HG3  DAR   4           HG2      DAR   4   1.114   2.201   4.682
  238    HD2  DAR   4           HD1      DAR   4   2.722   3.883   4.557
  239    HD3  DAR   4           HD2      DAR   4   1.348   4.535   3.666
  240    HE   DAR   4           HE       DAR   4   3.092   3.187   1.908
  241   HH11  DAR   4          HH21      DAR   4   4.772   6.085   0.831
  242   HH12  DAR   4          HH22      DAR   4   4.433   4.354   0.478
  243   HH21  DAR   4          HH11      DAR   4   3.848   7.088   2.680
  244   HH22  DAR   4          HH12      DAR   4   2.769   6.148   3.769
  245    HA   28J   5           HA       28J   5  -2.716   2.288  -0.843
  246    H22  28J   5           HB       28J   5  -0.686   1.971  -2.706
  247    H23  28J   5          HG21      28J   5  -2.422   0.925  -4.084
  248    H24  28J   5          HG22      28J   5  -3.669   1.699  -3.106
  249    H25  28J   5          HG23      28J   5  -2.604   0.495  -2.383
  250    H26  28J   5          HG11      28J   5  -0.988   4.270  -3.515
  251    H27  28J   5          HG12      28J   5  -2.708   3.974  -3.745
  252    H28  28J   5          HD11      28J   5  -0.542   2.494  -5.212
  253    H29  28J   5          HD12      28J   5  -1.380   3.916  -5.834
  254    H30  28J   5          HD13      28J   5  -2.278   2.432  -5.514
  255    H    ILE   6           HN       ILE   6  -4.434   3.500  -1.591
  256    HA   ILE   6           HA       ILE   6  -4.165   6.429  -1.365
  257    HB   ILE   6           HB       ILE   6  -4.118   6.089  -3.716
  258   HG12  ILE   6          HG12      ILE   6  -7.013   6.667  -3.088
  259   HG13  ILE   6          HG11      ILE   6  -5.715   7.843  -2.922
  260   HG21  ILE   6          HG21      ILE   6  -6.543   4.311  -3.502
  261   HG22  ILE   6          HG22      ILE   6  -4.887   3.747  -3.725
  262   HG23  ILE   6          HG23      ILE   6  -5.658   4.732  -4.968
  263   HD11  ILE   6          HD11      ILE   6  -6.702   6.556  -5.441
  264   HD12  ILE   6          HD12      ILE   6  -5.258   7.567  -5.334
  265   HD13  ILE   6          HD13      ILE   6  -6.842   8.245  -4.950
  266    H    SER   7           HN       SER   7  -5.435   6.978   0.328
  267    HA   SER   7           HA       SER   7  -8.285   6.488   0.227
  268    HB2  SER   7           HB2      SER   7  -7.039   5.541   2.767
  269    HB3  SER   7           HB1      SER   7  -8.573   5.072   2.023
  270    HG   SER   7           HG       SER   7  -6.736   4.354   0.335
  271    H    DTH   8           HN       DTC   8  -9.017   7.091   2.800
  272    HA   DTH   8           HA       DTC   8  -7.537   9.521   3.609
  273    HB   DTH   8           HB       DTC   8  -8.675   9.471   5.713
  274   HG21  DTH   8          HG21      DTC   8  -7.055   7.650   5.510
  275   HG22  DTH   8          HG22      DTC   8  -8.301   6.577   4.868
  276   HG23  DTH   8          HG23      DTC   8  -8.411   7.169   6.527
  277    H    ALA   9           HN       ALA   9 -10.634   8.485   2.317
  278    HA   ALA   9           HA       ALA   9 -11.052  10.926   1.097
  279    HB1  ALA   9           HB1      ALA   9 -11.170   8.888  -0.252
  280    HB2  ALA   9           HB2      ALA   9 -12.836   9.417  -0.015
  281    HB3  ALA   9           HB3      ALA   9 -12.177   8.115   0.973
  282    H    LEU  10           HN       LEU  10 -13.526   8.728   2.071
  283    HA   LEU  10           HA       LEU  10 -14.908  10.509   3.905
  284    HB2  LEU  10           HB2      LEU  10 -16.339   8.408   4.297
  285    HB3  LEU  10           HB1      LEU  10 -16.293   9.051   2.669
  286    HG   LEU  10           HG       LEU  10 -16.225   6.589   2.705
  287   HD11  LEU  10          HD11      LEU  10 -15.002   6.658   0.868
  288   HD12  LEU  10          HD12      LEU  10 -13.578   7.299   1.695
  289   HD13  LEU  10          HD13      LEU  10 -14.890   8.377   1.225
  290   HD21  LEU  10          HD21      LEU  10 -13.881   7.065   4.473
  291   HD22  LEU  10          HD22      LEU  10 -13.704   5.807   3.246
  292   HD23  LEU  10          HD23      LEU  10 -15.012   5.714   4.422
  293    H    ILE  11           HN       ILE  11 -12.428   8.213   4.388
  294    HA   ILE  11           HA       ILE  11 -12.757   8.365   7.307
  295    HB   ILE  11           HB       ILE  11 -12.316   5.698   5.907
  296   HG12  ILE  11          HG12      ILE  11 -14.346   6.341   8.054
  297   HG13  ILE  11          HG11      ILE  11 -14.713   6.504   6.341
  298   HG21  ILE  11          HG21      ILE  11 -12.107   6.280   8.864
  299   HG22  ILE  11          HG22      ILE  11 -10.744   5.970   7.788
  300   HG23  ILE  11          HG23      ILE  11 -11.936   4.707   8.087
  301   HD11  ILE  11          HD11      ILE  11 -14.066   3.986   7.864
  302   HD12  ILE  11          HD12      ILE  11 -14.112   4.060   6.102
  303   HD13  ILE  11          HD13      ILE  11 -15.565   4.407   7.038
  304    H    ZAE   1           HN1      DPH   1  -9.435  15.292   0.734
  305    HA   ZAE   1           HA       DPH   1  -8.270  14.457  -1.125
  306    HB2  ZAE   1           HB1      DPH   1 -10.699  12.716  -1.210
  307    HB3  ZAE   1           HB2      DPH   1 -10.914  14.456  -1.055
  308    HD1  ZAE   1           HD1      DPH   1 -10.981  15.770  -2.967
  309    HD2  ZAE   1           HD2      DPH   1  -9.135  11.927  -3.155
  310    HE1  ZAE   1           HE1      DPH   1 -10.724  16.014  -5.407
  311    HE2  ZAE   1           HE2      DPH   1  -8.874  12.167  -5.595
  312    HZ   ZAE   1           HZ       DPH   1  -9.671  14.212  -6.724
  313    H11  ZAE   1          HN11      DPH   1  -9.858  12.558   1.724
  314    H12  ZAE   1          HN12      DPH   1 -11.085  13.473   0.847
  315    H13  ZAE   1          HN13      DPH   1 -10.479  14.069   2.394
  316    HN2  ZAE   1           HN2      DPH   1  -8.251  14.232   1.314
  317    H    ILE   2           HN       ILE   2  -6.508  13.204  -1.090
  318    HA   ILE   2           HA       ILE   2  -6.862  10.338  -0.544
  319    HB   ILE   2           HB       ILE   2  -6.514  10.063  -2.780
  320   HG12  ILE   2          HG12      ILE   2  -3.718  10.676  -1.814
  321   HG13  ILE   2          HG11      ILE   2  -4.493   9.103  -1.936
  322   HG21  ILE   2          HG21      ILE   2  -5.051  12.708  -2.937
  323   HG22  ILE   2          HG22      ILE   2  -6.768  12.456  -3.256
  324   HG23  ILE   2          HG23      ILE   2  -5.561  11.703  -4.295
  325   HD11  ILE   2          HD11      ILE   2  -2.958   9.236  -3.698
  326   HD12  ILE   2          HD12      ILE   2  -3.503  10.849  -4.158
  327   HD13  ILE   2          HD13      ILE   2  -4.552   9.455  -4.418
  328    H    SER   3           HN       SER   3  -5.418   9.507   0.860
  329    HA   SER   3           HA       SER   3  -2.904  10.948   1.267
  330    HB2  SER   3           HB2      SER   3  -4.422   9.729   3.562
  331    HB3  SER   3           HB1      SER   3  -2.940  10.677   3.648
  332    HG   SER   3           HG       SER   3  -4.523  12.299   2.508
  333    H    DAR   4           HN       DAR   4  -1.151   9.711   1.924
  334    HA   DAR   4           HA       DAR   4  -1.471   6.834   1.385
  335    HB2  DAR   4           HB1      DAR   4   0.576   8.179   3.145
  336    HB3  DAR   4           HB2      DAR   4   0.397   6.448   2.890
  337    HG2  DAR   4           HG1      DAR   4  -1.848   8.086   3.995
  338    HG3  DAR   4           HG2      DAR   4  -0.554   7.479   5.032
  339    HD2  DAR   4           HD1      DAR   4  -2.320   5.888   5.099
  340    HD3  DAR   4           HD2      DAR   4  -1.021   5.194   4.131
  341    HE   DAR   4           HE       DAR   4  -2.819   6.519   2.438
  342   HH11  DAR   4          HH21      DAR   4  -4.729   3.667   1.658
  343   HH12  DAR   4          HH22      DAR   4  -4.276   5.329   1.140
  344   HH21  DAR   4          HH11      DAR   4  -3.795   2.753   3.547
  345   HH22  DAR   4          HH12      DAR   4  -2.611   3.699   4.514
  346    HA   28J   5           HA       28J   5   1.991   7.521  -1.194
  347    H22  28J   5           HB       28J   5  -0.221   8.280  -2.553
  348    H23  28J   5          HG21      28J   5   1.270   9.117  -4.254
  349    H24  28J   5          HG22      28J   5   2.498   7.926  -3.825
  350    H25  28J   5          HG23      28J   5   2.081   9.210  -2.691
  351    H26  28J   5          HG11      28J   5  -0.658   6.041  -3.468
  352    H27  28J   5          HG12      28J   5   0.975   5.979  -4.123
  353    H28  28J   5          HD11      28J   5   0.502   7.649  -5.725
  354    H29  28J   5          HD12      28J   5  -1.033   8.051  -4.953
  355    H30  28J   5          HD13      28J   5  -0.836   6.501  -5.772
  356    H    ILE   6           HN       ILE   6   3.298   6.348  -2.711
  357    HA   ILE   6           HA       ILE   6   3.088   3.423  -2.427
  358    HB   ILE   6           HB       ILE   6   2.300   3.739  -4.623
  359   HG12  ILE   6          HG12      ILE   6   5.282   3.291  -4.885
  360   HG13  ILE   6          HG11      ILE   6   4.073   2.054  -4.566
  361   HG21  ILE   6          HG21      ILE   6   2.808   5.407  -6.077
  362   HG22  ILE   6          HG22      ILE   6   4.516   5.429  -5.636
  363   HG23  ILE   6          HG23      ILE   6   3.327   6.210  -4.593
  364   HD11  ILE   6          HD11      ILE   6   3.070   2.583  -6.767
  365   HD12  ILE   6          HD12      ILE   6   4.711   1.932  -6.832
  366   HD13  ILE   6          HD13      ILE   6   4.436   3.661  -7.057
  367    H    SER   7           HN       SER   7   4.808   3.033  -1.069
  368    HA   SER   7           HA       SER   7   7.511   3.371  -2.141
  369    HB2  SER   7           HB2      SER   7   7.296   4.298   0.661
  370    HB3  SER   7           HB1      SER   7   8.336   4.883  -0.644
  371    HG   SER   7           HG       SER   7   6.375   5.826  -1.534
  372    H    DTH   8           HN       DTC   8   9.172   2.448  -0.432
  373    HA   DTH   8           HA       DTC   8   7.906   0.040   0.796
  374    HB   DTH   8           HB       DTC   8   9.320   0.108   2.785
  375   HG21  DTH   8          HG21      DTC   8   7.224   1.387   2.896
  376   HG22  DTH   8          HG22      DTC   8   8.051   2.838   2.322
  377   HG23  DTH   8          HG23      DTC   8   8.478   2.133   3.882
  378    H    ALA   9           HN       ALA   9  10.393   1.424  -1.015
  379    HA   ALA   9           HA       ALA   9  11.493  -0.941  -1.928
  380    HB1  ALA   9           HB1      ALA   9  11.997   2.033  -2.246
  381    HB2  ALA   9           HB2      ALA   9  10.890   1.093  -3.249
  382    HB3  ALA   9           HB3      ALA   9  12.634   0.799  -3.335
  383    H    LEU  10           HN       LEU  10  13.316   1.926  -0.990
  384    HA   LEU  10           HA       LEU  10  15.396   0.540   0.354
  385    HB2  LEU  10           HB2      LEU  10  14.650   3.463   0.564
  386    HB3  LEU  10           HB1      LEU  10  16.211   2.754   0.918
  387    HG   LEU  10           HG       LEU  10  16.810   3.425  -1.117
  388   HD11  LEU  10          HD11      LEU  10  16.564   1.045  -1.471
  389   HD12  LEU  10          HD12      LEU  10  16.248   1.947  -2.955
  390   HD13  LEU  10          HD13      LEU  10  14.907   1.290  -2.019
  391   HD21  LEU  10          HD21      LEU  10  15.400   4.347  -2.782
  392   HD22  LEU  10          HD22      LEU  10  14.746   4.870  -1.230
  393   HD23  LEU  10          HD23      LEU  10  13.972   3.553  -2.121
  394    H    ILE  11           HN       ILE  11  12.747   2.485   1.365
  395    HA   ILE  11           HA       ILE  11  13.197   1.744   4.214
  396    HB   ILE  11           HB       ILE  11  11.682   4.215   3.314
  397   HG12  ILE  11          HG12      ILE  11  14.470   4.178   4.493
  398   HG13  ILE  11          HG11      ILE  11  14.164   4.313   2.766
  399   HG21  ILE  11          HG21      ILE  11  11.105   3.249   5.520
  400   HG22  ILE  11          HG22      ILE  11  11.786   4.872   5.627
  401   HG23  ILE  11          HG23      ILE  11  12.782   3.472   6.019
  402   HD11  ILE  11          HD11      ILE  11  13.426   6.276   4.927
  403   HD12  ILE  11          HD12      ILE  11  12.832   6.387   3.270
  404   HD13  ILE  11          HD13      ILE  11  14.560   6.500   3.596
  405    H1   ALA   1           HN       ALA   1 -15.494  -6.394  -4.658
  406    HA   ALA   1           HA       ALA   1 -16.344  -7.352  -7.162
  407    HB1  ALA   1           HB1      ALA   1 -17.456  -5.233  -7.440
  408    HB2  ALA   1           HB2      ALA   1 -16.108  -5.386  -8.595
  409    HB3  ALA   1           HB3      ALA   1 -15.938  -4.388  -7.144
  410    H    DGL   2           HN       DGL   2 -14.361  -4.836  -8.069
  411    HA   DGL   2           HA       DGL   2 -12.085  -4.477  -8.042
  412    HB2  DGL   2           HB1      DGL   2 -10.882  -6.899  -8.524
  413    HB3  DGL   2           HB2      DGL   2 -11.641  -5.939  -9.788
  414    HG2  DGL   2           HG1      DGL   2 -13.201  -7.540 -10.258
  415    HG3  DGL   2           HG2      DGL   2 -13.668  -7.785  -8.570
  416    H    LYS   3           HN       LYS   3 -11.040  -8.633  -7.732
  417    HA   LYS   3           HA       LYS   3  -9.920 -10.433  -7.347
  418    HB2  LYS   3           HB2      LYS   3 -12.207 -11.371  -7.233
  419    HB3  LYS   3           HB1      LYS   3 -11.933 -12.086  -8.833
  420    HG2  LYS   3           HG2      LYS   3  -9.594 -12.605  -7.362
  421    HG3  LYS   3           HG1      LYS   3 -10.902 -12.870  -6.217
  422    HD2  LYS   3           HD2      LYS   3 -10.570 -15.041  -7.086
  423    HD3  LYS   3           HD1      LYS   3 -11.930 -14.353  -7.903
  424    HE2  LYS   3           HE2      LYS   3 -10.458 -15.776  -9.338
  425    HE3  LYS   3           HE1      LYS   3 -11.062 -13.995  -9.845
  426    HZ1  LYS   3           HZ1      LYS   3  -9.085 -13.362 -10.452
  427    HZ2  LYS   3           HZ2      LYS   3  -8.968 -14.955 -10.844
  428    HZ3  LYS   3           HZ3      LYS   3  -8.360 -14.448  -9.391
  429    H    DAL   4           HN       DAL   4  -8.443  -9.366  -8.317
  430    HA   DAL   4           HA       DAL   4  -6.069  -9.225  -9.396
  431    HB1  DAL   4           HB1      DAL   4  -7.326  -9.231 -11.968
  432    HB2  DAL   4           HB2      DAL   4  -5.667  -8.814 -11.541
  433    HB3  DAL   4           HB3      DAL   4  -7.053  -7.763 -10.973
  434    H    DAL   5           HN       DAL   5  -5.983 -11.108  -7.734
  435    HA   DAL   5           HA       DAL   5  -5.028 -13.392  -6.947
  436    HB1  DAL   5           HB1      DAL   5  -4.452 -13.386  -9.894
  437    HB2  DAL   5           HB2      DAL   5  -3.452 -14.053  -8.631
  438    HB3  DAL   5           HB3      DAL   5  -3.433 -12.296  -8.942
  439    H1   ALA   1           HN       ALA   1  17.660  -7.223  -5.721
  440    HA   ALA   1           HA       ALA   1  19.941  -7.686  -7.304
  441    HB1  ALA   1           HB1      ALA   1  21.079  -6.364  -5.560
  442    HB2  ALA   1           HB2      ALA   1  21.713  -8.020  -5.735
  443    HB3  ALA   1           HB3      ALA   1  20.632  -7.612  -4.397
  444    H    DGL   2           HN       DGL   2  21.158  -9.628  -5.327
  445    HA   DGL   2           HA       DGL   2  20.667 -11.635  -4.293
  446    HB2  DGL   2           HB1      DGL   2  19.097 -13.080  -5.995
  447    HB3  DGL   2           HB2      DGL   2  20.816 -12.843  -6.285
  448    HG2  DGL   2           HG1      DGL   2  20.432 -11.852  -8.299
  449    HG3  DGL   2           HG2      DGL   2  19.373 -10.615  -7.609
  450    H    LYS   3           HN       LYS   3  17.252 -12.178  -6.812
  451    HA   LYS   3           HA       LYS   3  15.333 -12.905  -7.466
  452    HB2  LYS   3           HB2      LYS   3  16.289 -11.449  -9.660
  453    HB3  LYS   3           HB1      LYS   3  15.338 -12.803 -10.297
  454    HG2  LYS   3           HG2      LYS   3  14.499 -10.782  -8.218
  455    HG3  LYS   3           HG1      LYS   3  13.858 -10.940  -9.847
  456    HD2  LYS   3           HD2      LYS   3  13.189 -12.615  -7.407
  457    HD3  LYS   3           HD1      LYS   3  12.227 -11.804  -8.593
  458    HE2  LYS   3           HE1      LYS   3  11.613 -13.608  -9.501
  459    HE3  LYS   3           HE2      LYS   3  13.485 -13.656 -10.039
  460    HZ1  LYS   3           HZ1      LYS   3  12.128 -15.841  -9.424
  461    HZ2  LYS   3           HZ2      LYS   3  12.758 -15.393  -7.880
  462    HZ3  LYS   3           HZ3      LYS   3  13.760 -15.481  -9.231
  463    H    DAL   4           HN       DAL   4  17.245 -14.495  -6.803
  464    HA   DAL   4           HA       DAL   4  17.634 -16.971  -6.068
  465    HB1  DAL   4           HB1      DAL   4  18.251 -17.595  -8.788
  466    HB2  DAL   4           HB2      DAL   4  18.560 -18.534  -7.328
  467    HB3  DAL   4           HB3      DAL   4  19.431 -16.950  -7.601
  468    H    DAL   5           HN       DAL   5  15.563 -16.814  -4.940
  469    HA   DAL   5           HA       DAL   5  13.208 -17.548  -4.177
  470    HB1  DAL   5           HB1      DAL   5  13.983 -19.339  -6.476
  471    HB2  DAL   5           HB2      DAL   5  12.784 -19.739  -5.276
  472    HB3  DAL   5           HB3      DAL   5  14.516 -19.800  -4.851
  473    H1   ALA   1           HN       ALA   1 -18.771   3.016   2.407
  474    HA   ALA   1           HA       ALA   1 -21.548   2.740   2.038
  475    HB1  ALA   1           HB1      ALA   1 -21.329   0.766   3.454
  476    HB2  ALA   1           HB2      ALA   1 -22.341   2.024   4.209
  477    HB3  ALA   1           HB3      ALA   1 -20.669   1.782   4.734
  478    H    DGL   2           HN       DGL   2 -22.616   3.819   4.374
  479    HA   DGL   2           HA       DGL   2 -22.725   5.716   5.668
  480    HB2  DGL   2           HB1      DGL   2 -20.859   7.034   3.684
  481    HB3  DGL   2           HB2      DGL   2 -22.142   7.816   4.597
  482    HG2  DGL   2           HG1      DGL   2 -23.727   7.503   2.968
  483    HG3  DGL   2           HG2      DGL   2 -23.245   5.846   2.578
  484    H    LYS   3           HN       LYS   3 -22.880   9.211   1.785
  485    HA   LYS   3           HA       LYS   3 -22.165  10.314   0.078
  486    HB2  LYS   3           HB2      LYS   3 -20.027   9.324   1.185
  487    HB3  LYS   3           HB1      LYS   3 -19.807   8.596  -0.417
  488    HG2  LYS   3           HG2      LYS   3 -20.456  10.976  -1.291
  489    HG3  LYS   3           HG1      LYS   3 -20.081  11.507   0.342
  490    HD2  LYS   3           HD2      LYS   3 -18.076  11.971  -0.844
  491    HD3  LYS   3           HD1      LYS   3 -17.856  10.521   0.071
  492    HE2  LYS   3           HE1      LYS   3 -16.789  10.583  -2.234
  493    HE3  LYS   3           HE2      LYS   3 -17.764   9.075  -1.480
  494    HZ1  LYS   3           HZ1      LYS   3 -18.820   8.707  -3.295
  495    HZ2  LYS   3           HZ2      LYS   3 -17.587   9.519  -4.020
  496    HZ3  LYS   3           HZ3      LYS   3 -18.947  10.359  -3.587
  497    H    DAL   4           HN       DAL   4 -23.693  10.319  -1.045
  498    HA   DAL   4           HA       DAL   4 -25.182  10.413  -3.185
  499    HB1  DAL   4           HB1      DAL   4 -26.322   8.650  -2.336
  500    HB2  DAL   4           HB2      DAL   4 -25.290   7.510  -3.197
  501    HB3  DAL   4           HB3      DAL   4 -26.310   8.708  -4.129
  502    H    DAL   5           HN       DAL   5 -23.502  11.942  -3.889
  503    HA   DAL   5           HA       DAL   5 -21.873  13.029  -5.593
  504    HB1  DAL   5           HB1      DAL   5 -22.378  10.300  -6.750
  505    HB2  DAL   5           HB2      DAL   5 -22.107  11.777  -7.636
  506    HB3  DAL   5           HB3      DAL   5 -23.714  11.450  -6.929
  507    H1   ALA   1           HN       ALA   1  14.392   8.475   1.511
  508    HA   ALA   1           HA       ALA   1  16.376  10.376   2.137
  509    HB1  ALA   1           HB1      ALA   1  15.420  10.324   4.389
  510    HB2  ALA   1           HB2      ALA   1  17.100   9.728   4.355
  511    HB3  ALA   1           HB3      ALA   1  15.748   8.592   4.462
  512    H    DGL   2           HN       DGL   2  18.314   8.779   3.431
  513    HA   DGL   2           HA       DGL   2  19.500   6.801   3.277
  514    HB2  DGL   2           HB1      DGL   2  19.799   6.268   0.603
  515    HB3  DGL   2           HB2      DGL   2  20.736   7.501   1.438
  516    HG2  DGL   2           HG1      DGL   2  19.954   9.144   0.067
  517    HG3  DGL   2           HG2      DGL   2  18.261   8.798   0.449
  518    H    LYS   3           HN       LYS   3  17.776   6.471  -0.729
  519    HA   LYS   3           HA       LYS   3  17.089   5.582  -2.570
  520    HB2  LYS   3           HB2      LYS   3  16.827   8.097  -3.109
  521    HB3  LYS   3           HB1      LYS   3  18.024   7.747  -4.370
  522    HG2  LYS   3           HG2      LYS   3  16.096   5.612  -4.228
  523    HG3  LYS   3           HG1      LYS   3  15.239   7.142  -4.334
  524    HD2  LYS   3           HD2      LYS   3  15.408   6.456  -6.606
  525    HD3  LYS   3           HD1      LYS   3  16.588   7.682  -6.302
  526    HE2  LYS   3           HE1      LYS   3  17.369   5.937  -7.867
  527    HE3  LYS   3           HE2      LYS   3  18.386   6.444  -6.285
  528    HZ1  LYS   3           HZ1      LYS   3  18.314   3.942  -7.454
  529    HZ2  LYS   3           HZ2      LYS   3  17.407   3.873  -5.987
  530    HZ3  LYS   3           HZ3      LYS   3  18.947   4.557  -6.022
  531    H    DAL   4           HN       DAL   4  18.830   4.447  -1.577
  532    HA   DAL   4           HA       DAL   4  20.325   2.310  -1.716
  533    HB1  DAL   4           HB1      DAL   4  22.397   3.933  -2.838
  534    HB2  DAL   4           HB2      DAL   4  22.495   2.306  -2.163
  535    HB3  DAL   4           HB3      DAL   4  22.106   3.728  -1.079
  536    H    DAL   5           HN       DAL   5  18.337   1.401  -2.722
  537    HA   DAL   5           HA       DAL   5  17.060  -0.087  -4.423
  538    HB1  DAL   5           HB1      DAL   5  19.504  -0.773  -4.501
  539    HB2  DAL   5           HB2      DAL   5  19.861   0.541  -5.591
  540    HB3  DAL   5           HB3      DAL   5  18.922  -0.862  -6.171
  541    H12  P1W 103           H12      TPL  10 -11.409  -8.603   3.424
  542    H11  P1W 103           H11      TPL  10 -10.014  -7.537   3.550
  543    H2   P1W 103           H2       TPL  10 -11.031  -8.103   0.770
  544    H43  P1W 103           H42      TPL  10  -8.969  -8.651  -0.666
  545    H42  P1W 103           H41      TPL  10  -7.979  -9.976  -0.052
  546    H51  P1W 103           H51      TPL  10  -9.095 -10.582   2.995
  547    H52  P1W 103           H52      TPL  10  -8.122  -9.123   3.160
  548    H53  P1W 103           H53      TPL  10  -7.640 -10.369   2.011
  549    H12  P1W 104           H12      TPL  11 -10.432 -11.065   0.188
  550    H11  P1W 104           H11      TPL  11 -10.699 -10.026  -1.210
  551    H2   P1W 104           H2       TPL  11  -8.566 -11.089  -2.224
  552    H43  P1W 104           H42      TPL  11  -8.660 -14.833  -1.811
  553    H42  P1W 104           H41      TPL  11  -8.589 -13.639  -3.109
  554    H51  P1W 104           H51      TPL  11  -9.481 -14.522   0.067
  555    H52  P1W 104           H52      TPL  11 -10.816 -13.375  -0.027
  556    H53  P1W 104           H53      TPL  11  -9.390 -12.988   0.932
  557    H12  P1W 105           H12      TPL  11   6.551  -8.812  -8.659
  558    H11  P1W 105           H11      TPL  11   5.858  -9.498  -7.190
  559    H2   P1W 105           H2       TPL  11   5.485  -6.969  -6.509
  560    H43  P1W 105           H42      TPL  11   4.125  -5.196  -7.349
  561    H42  P1W 105           H41      TPL  11   4.388  -4.780  -9.048
  562    H51  P1W 105           H51      TPL  11   4.651  -6.511 -10.631
  563    H52  P1W 105           H52      TPL  11   4.858  -8.192 -10.138
  564    H53  P1W 105           H53      TPL  11   6.251  -7.114 -10.202
  565    H12  P1W 106           H12      TPL  12  -6.486 -12.851  -2.425
  566    H11  P1W 106           H11      TPL  12  -6.630 -13.583  -0.829
  567    H2   P1W 106           H2       TPL  12  -6.169 -15.060  -3.447
  568    H43  P1W 106           H43      TPL  12  -4.727 -17.832  -1.411
  569    H41  P1W 106           H41      TPL  12  -3.823 -16.814  -2.543
  570    H42  P1W 106           H42      TPL  12  -5.399 -17.460  -2.998
  571    H51  P1W 106           H51      TPL  12  -6.327 -15.851   0.367
  572    H52  P1W 106           H52      TPL  12  -5.024 -14.685   0.139
  573    H53  P1W 106           H53      TPL  12  -4.652 -16.404   0.294
  574    H12  P1W 107           H12      TPL  12   2.491  -6.043  -9.742
  575    H11  P1W 107           H11      TPL  12   2.362  -6.846  -8.176
  576    H2   P1W 107           H2       TPL  12   1.286  -5.006  -7.201
  577    H43  P1W 107           H43      TPL  12  -0.433  -3.170  -7.738
  578    H41  P1W 107           H41      TPL  12  -0.160  -2.196  -9.192
  579    H42  P1W 107           H42      TPL  12   0.898  -2.011  -7.792
  580    H51  P1W 107           H51      TPL  12   2.694  -3.690 -10.509
  581    H52  P1W 107           H52      TPL  12   1.298  -2.632 -10.716
  582    H53  P1W 107           H53      TPL  12   1.141  -4.367 -11.004
  583    H12  P1W 103           H12      TPL  10   7.461  -8.772  -2.429
  584    H11  P1W 103           H11      TPL  10   8.213 -10.186  -3.162
  585    H2   P1W 103           H2       TPL  10   8.118  -7.403  -4.420
  586    H43  P1W 103           H42      TPL  10   7.757  -7.329  -6.720
  587    H42  P1W 103           H41      TPL  10   8.471  -8.718  -7.534
  588    H51  P1W 103           H51      TPL  10   6.468 -10.747  -5.009
  589    H52  P1W 103           H52      TPL  10   8.167 -11.184  -5.171
  590    H53  P1W 103           H53      TPL  10   7.193 -10.909  -6.616
  591    H12  P1W 103           H12      TPL  10 -12.551   7.316  -0.579
  592    H11  P1W 103           H11      TPL  10 -13.659   6.145  -1.307
  593    H2   P1W 103           H2       TPL  10 -11.277   4.791  -1.447
  594    H43  P1W 103           H42      TPL  10  -8.795   6.040  -2.837
  595    H42  P1W 103           H41      TPL  10  -9.933   4.732  -3.162
  596    H51  P1W 103           H51      TPL  10 -10.110   8.522  -2.183
  597    H52  P1W 103           H52      TPL  10 -11.864   8.388  -2.298
  598    H53  P1W 103           H53      TPL  10 -10.877   8.252  -3.755
  599    H12  P1W 103           H12      TPL  10  10.409   1.548  -4.908
  600    H11  P1W 103           H11      TPL  10  11.194   2.500  -6.175
  601    H2   P1W 103           H2       TPL  10   8.602   3.551  -6.248
  602    H43  P1W 103           H42      TPL  10   6.762   0.899  -7.997
  603    H42  P1W 103           H41      TPL  10   6.629   2.495  -7.256
  604    H51  P1W 103           H51      TPL  10  10.439   0.614  -7.503
  605    H52  P1W 103           H52      TPL  10   9.153   0.178  -8.628
  606    H53  P1W 103           H53      TPL  10   9.101  -0.407  -6.962
  607    H12  P1W 104           H12      TPL  11  -9.483   7.199  -4.825
  608    H11  P1W 104           H11      TPL  11  -9.133   5.534  -5.276
  609    H2   P1W 104           H2       TPL  11 -11.995   6.084  -4.550
  610    H43  P1W 104           H42      TPL  11 -12.892   5.921  -8.216
  611    H42  P1W 104           H41      TPL  11 -13.363   5.045  -6.760
  612    H51  P1W 104           H51      TPL  11 -10.920   6.733  -8.549
  613    H52  P1W 104           H52      TPL  11 -10.059   5.302  -7.980
  614    H53  P1W 104           H53      TPL  11  -9.650   6.892  -7.337
  615    H12  P1W 105           H12      TPL  11   7.719   3.525  -9.134
  616    H11  P1W 105           H11      TPL  11   8.105   1.964  -9.856
  617    H2   P1W 105           H2       TPL  11   5.383   3.279  -9.641
  618    H43  P1W 105           H42      TPL  11   3.958   2.807 -11.488
  619    H42  P1W 105           H41      TPL  11   4.623   1.910 -12.860
  620    H51  P1W 105           H51      TPL  11   7.609   1.650 -12.285
  621    H52  P1W 105           H52      TPL  11   6.383   0.427 -12.618
  622    H53  P1W 105           H53      TPL  11   7.351   0.328 -11.147
  623    H12  P1W 106           H12      TPL  12 -14.806   6.947  -6.983
  624    H11  P1W 106           H11      TPL  12 -13.717   7.238  -5.627
  625    H2   P1W 106           H2       TPL  12 -13.215   8.357  -8.413
  626    H43  P1W 106           H43      TPL  12 -13.354  11.508  -7.540
  627    H41  P1W 106           H41      TPL  12 -12.112  10.559  -8.371
  628    H42  P1W 106           H42      TPL  12 -11.764  11.297  -6.808
  629    H51  P1W 106           H51      TPL  12 -12.947  10.726  -4.896
  630    H52  P1W 106           H52      TPL  12 -12.459   9.043  -4.688
  631    H53  P1W 106           H53      TPL  12 -14.168   9.450  -4.863
  632    H12  P1W 107           H12      TPL  12   4.209  -0.212 -11.636
  633    H11  P1W 107           H11      TPL  12   3.472   0.714 -10.332
  634    H2   P1W 107           H2       TPL  12   1.599   1.335 -11.712
  635    H43  P1W 107           H43      TPL  12  -0.028  -0.833 -13.281
  636    H41  P1W 107           H41      TPL  12   0.748  -0.495 -14.837
  637    H42  P1W 107           H42      TPL  12   0.238   0.832 -13.795
  638    H51  P1W 107           H51      TPL  12   3.208  -1.936 -12.958
  639    H52  P1W 107           H52      TPL  12   3.919  -0.669 -13.959
  640    H53  P1W 107           H53      TPL  12   2.584  -1.641 -14.583
  641    H1   MUB 101           H1       NAM   6 -13.781  -5.786  -2.075
  642    H2   MUB 101           H2       NAM   6 -15.856  -5.109  -1.743
  643    HN2  MUB 101           HN2      NAM   6 -16.493  -5.008   0.396
  644    H81  MUB 101           H81      NAM   6 -16.807  -6.266   2.650
  645    H82  MUB 101           H82      NAM   6 -17.762  -7.726   2.446
  646    H83  MUB 101           H83      NAM   6 -18.430  -6.194   1.903
  647    H3   MUB 101           H3       NAM   6 -16.747  -8.087  -1.281
  648    H9   MUB 101           H9       NAM   6 -16.651  -5.844  -3.441
  649   H111  MUB 101          H111      NAM   6 -19.118  -4.384  -2.378
  650   H112  MUB 101          H112      NAM   6 -18.120  -3.724  -3.642
  651   H113  MUB 101          H113      NAM   6 -17.338  -4.072  -2.143
  652    H4A  MUB 101           H4       NAM   6 -15.920  -7.561  -4.098
  653    H5   MUB 101           H5       NAM   6 -13.919  -9.238  -2.832
  654    H61  MUB 101           H61      NAM   6 -13.503  -7.869  -4.710
  655    H62  MUB 101           H62      NAM   6 -12.189  -7.601  -3.507
  656    HO6  MUB 101           HO6      NAM   6 -13.135  -5.585  -4.363
  657    H1   NAG 102           H1       NAG   7 -16.311 -11.268  -3.481
  658    H2   NAG 102           H2       NAG   7 -13.834  -9.743  -4.507
  659    H3   NAG 102           H3       NAG   7 -14.369 -12.726  -4.325
  660    H4   NAG 102           H4       NAG   7 -12.369 -11.197  -2.680
  661    H5   NAG 102           H5       NAG   7 -15.110 -12.561  -1.739
  662    H61  NAG 102           H61      NAG   7 -13.158 -12.507  -0.065
  663    H62  NAG 102           H62      NAG   7 -14.783 -11.992   0.365
  664    H81  NAG 102           H81      NAG   7 -17.134 -12.195  -7.732
  665    H82  NAG 102           H82      NAG   7 -15.742 -11.245  -8.238
  666    H83  NAG 102           H83      NAG   7 -17.156 -10.418  -7.586
  667    HN2  NAG 102           HN2      NAG   7 -14.878  -9.761  -6.293
  668    HO3  NAG 102           HO3      NAG   7 -12.871 -12.420  -5.786
  669    HO4  NAG 102           HO4      NAG   7 -12.075 -13.397  -3.259
  670    HO6  NAG 102           HO6      NAG   7 -13.774  -9.842  -0.451
  671    H1   MUB 101           H1       NAM   6  14.332  -7.733  -4.827
  672    H2   MUB 101           H2       NAM   6  15.452  -5.891  -4.452
  673    HN2  MUB 101           HN2      NAM   6  14.169  -4.138  -3.937
  674    H81  MUB 101           H81      NAM   6  12.202  -2.056  -6.149
  675    H82  MUB 101           H82      NAM   6  13.362  -1.828  -4.846
  676    H83  MUB 101           H83      NAM   6  11.943  -2.829  -4.555
  677    H3   MUB 101           H3       NAM   6  14.794  -4.919  -7.386
  678    H9   MUB 101           H9       NAM   6  17.085  -5.584  -5.393
  679   H111  MUB 101          H111      NAM   6  17.439  -2.719  -4.384
  680   H112  MUB 101          H112      NAM   6  18.372  -4.037  -3.734
  681   H113  MUB 101          H113      NAM   6  16.653  -4.180  -3.629
  682    H4A  MUB 101           H4       NAM   6  17.157  -6.756  -7.012
  683    H5   MUB 101           H5       NAM   6  15.031  -8.264  -8.178
  684    H61  MUB 101           H61      NAM   6  16.642  -9.256  -6.792
  685    H62  MUB 101           H62      NAM   6  14.991  -9.809  -6.314
  686    HO6  MUB 101           HO6      NAM   6  16.492  -9.007  -4.544
  687    H1   NAG 102           H1       NAG   7  15.796  -5.918 -10.527
  688    H2   NAG 102           H2       NAG   7  15.910  -8.870  -9.528
  689    H3   NAG 102           H3       NAG   7  14.960  -7.756 -12.158
  690    H4   NAG 102           H4       NAG   7  13.160  -8.968 -10.070
  691    H5   NAG 102           H5       NAG   7  13.373  -5.901 -10.966
  692    H61  NAG 102           H61      NAG   7  11.109  -6.579 -10.334
  693    H62  NAG 102           H62      NAG   7  11.840  -5.304  -9.374
  694    H81  NAG 102           H81      NAG   7  19.322  -6.966 -12.921
  695    H82  NAG 102           H82      NAG   7  19.191  -8.689 -12.594
  696    H83  NAG 102           H83      NAG   7  19.742  -7.611 -11.313
  697    HN2  NAG 102           HN2      NAG   7  17.807  -8.790 -10.206
  698    HO3  NAG 102           HO3      NAG   7  15.761  -9.868 -12.045
  699    HO4  NAG 102           HO4      NAG   7  12.695  -9.065 -12.303
  700    HO6  NAG 102           HO6      NAG   7  12.440  -7.226  -7.974
  701    H1   MUB 101           H1       NAM   6 -15.453   4.387   1.971
  702    H2   MUB 101           H2       NAM   6 -15.669   2.218   2.082
  703    HN2  MUB 101           HN2      NAM   6 -13.775   1.200   1.311
  704    H81  MUB 101           H81      NAM   6 -13.510  -0.656  -1.269
  705    H82  MUB 101           H82      NAM   6 -12.403   0.265  -0.259
  706    H83  MUB 101           H83      NAM   6 -12.638   0.760  -1.932
  707    H3   MUB 101           H3       NAM   6 -16.352   2.242  -1.007
  708    H9   MUB 101           H9       NAM   6 -17.675   1.784   1.780
  709   H111  MUB 101          H111      NAM   6 -16.552  -1.045   2.071
  710   H112  MUB 101          H112      NAM   6 -17.368  -0.228   3.373
  711   H113  MUB 101          H113      NAM   6 -15.970   0.554   2.725
  712    H4A  MUB 101           H4       NAM   6 -18.416   3.235   0.964
  713    H5   MUB 101           H5       NAM   6 -17.407   5.279  -0.879
  714    H61  MUB 101           H61      NAM   6 -18.522   5.798   1.116
  715    H62  MUB 101           H62      NAM   6 -16.981   6.707   1.138
  716    HO6  MUB 101           HO6      NAM   6 -17.925   5.129   3.027
  717    H1   NAG 102           H1       NAG   7 -19.233   3.296  -2.798
  718    H2   NAG 102           H2       NAG   7 -19.114   5.849  -1.066
  719    H3   NAG 102           H3       NAG   7 -19.753   5.591  -4.028
  720    H4   NAG 102           H4       NAG   7 -17.257   6.845  -2.911
  721    H5   NAG 102           H5       NAG   7 -17.530   4.055  -4.443
  722    H61  NAG 102           H61      NAG   7 -15.349   5.421  -4.741
  723    H62  NAG 102           H62      NAG   7 -15.364   3.695  -4.366
  724    H81  NAG 102           H81      NAG   7 -23.538   3.525  -2.657
  725    H82  NAG 102           H82      NAG   7 -23.513   5.128  -1.931
  726    H83  NAG 102           H83      NAG   7 -23.097   3.731  -0.941
  727    HN2  NAG 102           HN2      NAG   7 -21.126   5.462  -0.771
  728    HO3  NAG 102           HO3      NAG   7 -20.573   7.316  -2.767
  729    HO4  NAG 102           HO4      NAG   7 -18.363   7.202  -5.063
  730    HO6  NAG 102           HO6      NAG   7 -15.290   4.634  -2.062
  731    H1   MUB 101           H1       NAM   6  12.812   6.294  -0.376
  732    H2   MUB 101           H2       NAM   6  11.492   7.393   1.048
  733    HN2  MUB 101           HN2      NAM   6   9.311   7.294   0.603
  734    H81  MUB 101           H81      NAM   6   7.426   7.600  -1.262
  735    H82  MUB 101           H82      NAM   6   7.431   9.279  -1.787
  736    H83  MUB 101           H83      NAM   6   7.348   8.927  -0.064
  737    H3   MUB 101           H3       NAM   6  11.285   9.707  -1.065
  738    H9   MUB 101           H9       NAM   6  12.668   8.876   1.619
  739   H111  MUB 101          H111      NAM   6  10.264   9.666   3.335
  740   H112  MUB 101          H112      NAM   6  11.652   8.855   4.000
  741   H113  MUB 101          H113      NAM   6  10.823   8.046   2.717
  742    H4A  MUB 101           H4       NAM   6  13.964   9.194   0.284
  743    H5   MUB 101           H5       NAM   6  13.975   8.813  -2.633
  744    H61  MUB 101           H61      NAM   6  15.652   8.063  -1.102
  745    H62  MUB 101           H62      NAM   6  15.223   6.721  -2.218
  746    HO6  MUB 101           HO6      NAM   6  15.297   6.579   0.397
  747    H1   NAG 102           H1       NAG   7  13.715  12.078  -2.229
  748    H2   NAG 102           H2       NAG   7  15.571   9.652  -2.681
  749    H3   NAG 102           H3       NAG   7  15.172  12.099  -4.432
  750    H4   NAG 102           H4       NAG   7  14.292   9.309  -5.153
  751    H5   NAG 102           H5       NAG   7  12.501  11.838  -4.366
  752    H61  NAG 102           H61      NAG   7  11.464  10.363  -6.061
  753    H62  NAG 102           H62      NAG   7  10.604  10.644  -4.557
  754    H81  NAG 102           H81      NAG   7  17.255  14.366  -1.149
  755    H82  NAG 102           H82      NAG   7  18.345  13.067  -1.619
  756    H83  NAG 102           H83      NAG   7  17.387  12.897  -0.149
  757    HN2  NAG 102           HN2      NAG   7  16.907  10.794  -1.601
  758    HO3  NAG 102           HO3      NAG   7  17.159  10.979  -4.463
  759    HO4  NAG 102           HO4      NAG   7  14.890  10.868  -6.726
  760    HO6  NAG 102           HO6      NAG   7  11.599   8.574  -3.909
  Start of MODEL   10
    1    H    ZAE   1           HN1      DPH   1   7.908 -17.047   1.762
    2    HA   ZAE   1           HA       DPH   1   8.053 -16.041  -0.520
    3    HB2  ZAE   1           HB1      DPH   1  10.098 -15.104  -0.038
    4    HB3  ZAE   1           HB2      DPH   1   9.506 -14.278   1.397
    5    HD1  ZAE   1           HD1      DPH   1  10.296 -15.039   3.425
    6    HD2  ZAE   1           HD2      DPH   1   9.957 -17.777   0.182
    7    HE1  ZAE   1           HE1      DPH   1  11.276 -16.815   4.823
    8    HE2  ZAE   1           HE2      DPH   1  10.936 -19.549   1.573
    9    HZ   ZAE   1           HZ       DPH   1  11.595 -19.074   3.895
   10    H11  ZAE   1          HN11      DPH   1   6.281 -14.649   2.275
   11    H12  ZAE   1          HN12      DPH   1   7.816 -15.042   3.048
   12    H13  ZAE   1          HN13      DPH   1   6.407 -16.067   3.319
   13    HN2  ZAE   1           HN2      DPH   1   6.444 -16.696   0.990
   14    H    ILE   2           HN       ILE   2   6.082 -15.043  -1.165
   15    HA   ILE   2           HA       ILE   2   6.263 -12.157  -1.152
   16    HB   ILE   2           HB       ILE   2   5.510 -13.898  -3.102
   17   HG12  ILE   2          HG12      ILE   2   4.477 -11.061  -2.813
   18   HG13  ILE   2          HG11      ILE   2   6.049 -11.527  -3.451
   19   HG21  ILE   2          HG21      ILE   2   3.079 -13.724  -3.461
   20   HG22  ILE   2          HG22      ILE   2   2.922 -12.938  -1.890
   21   HG23  ILE   2          HG23      ILE   2   3.486 -14.605  -1.988
   22   HD11  ILE   2          HD11      ILE   2   4.997 -12.610  -5.331
   23   HD12  ILE   2          HD12      ILE   2   4.451 -10.936  -5.207
   24   HD13  ILE   2          HD13      ILE   2   3.403 -12.251  -4.669
   25    H    SER   3           HN       SER   3   4.905 -10.790  -0.129
   26    HA   SER   3           HA       SER   3   2.457 -11.746   1.088
   27    HB2  SER   3           HB2      SER   3   4.596 -10.446   2.778
   28    HB3  SER   3           HB1      SER   3   2.962 -10.818   3.306
   29    HG   SER   3           HG       SER   3   4.003 -13.049   2.356
   30    H    DAR   4           HN       DAR   4   1.225  -9.964   2.029
   31    HA   DAR   4           HA       DAR   4   1.571  -7.527   0.415
   32    HB2  DAR   4           HB1      DAR   4   0.929  -7.911   3.305
   33    HB3  DAR   4           HB2      DAR   4   0.380  -6.469   2.458
   34    HG2  DAR   4           HG1      DAR   4   2.590  -5.798   1.989
   35    HG3  DAR   4           HG2      DAR   4   3.238  -7.367   2.482
   36    HD2  DAR   4           HD1      DAR   4   3.467  -6.605   4.547
   37    HD3  DAR   4           HD2      DAR   4   1.723  -6.356   4.641
   38    HE   DAR   4           HE       DAR   4   2.781  -4.215   3.251
   39   HH11  DAR   4          HH21      DAR   4   3.663  -2.181   5.969
   40   HH12  DAR   4          HH22      DAR   4   3.377  -2.235   4.193
   41   HH21  DAR   4          HH11      DAR   4   3.424  -4.086   7.234
   42   HH22  DAR   4          HH12      DAR   4   2.870  -5.612   6.461
   43    HA   28J   5           HA       28J   5  -2.760  -8.070   0.181
   44    H22  28J   5           HB       28J   5  -1.623  -8.922  -2.118
   45    H23  28J   5          HG21      28J   5  -3.567  -9.918  -1.056
   46    H24  28J   5          HG22      28J   5  -3.891  -9.681  -2.773
   47    H25  28J   5          HG23      28J   5  -4.579  -8.574  -1.584
   48    H26  28J   5          HG11      28J   5  -1.902  -6.571  -3.077
   49    H27  28J   5          HG12      28J   5  -3.638  -6.858  -3.017
   50    H28  28J   5          HD11      28J   5  -2.774  -7.268  -5.240
   51    H29  28J   5          HD12      28J   5  -3.388  -8.758  -4.521
   52    H30  28J   5          HD13      28J   5  -1.650  -8.467  -4.598
   53    H    ILE   6           HN       ILE   6  -4.626  -6.932  -0.019
   54    HA   ILE   6           HA       ILE   6  -4.365  -4.023  -0.285
   55    HB   ILE   6           HB       ILE   6  -5.188  -4.529  -2.416
   56   HG12  ILE   6          HG12      ILE   6  -7.650  -4.024  -0.748
   57   HG13  ILE   6          HG11      ILE   6  -6.470  -2.800  -1.225
   58   HG21  ILE   6          HG21      ILE   6  -7.003  -6.053  -2.936
   59   HG22  ILE   6          HG22      ILE   6  -7.197  -6.436  -1.226
   60   HG23  ILE   6          HG23      ILE   6  -5.719  -6.893  -2.069
   61   HD11  ILE   6          HD11      ILE   6  -7.100  -2.838  -3.393
   62   HD12  ILE   6          HD12      ILE   6  -8.634  -3.171  -2.585
   63   HD13  ILE   6          HD13      ILE   6  -7.703  -4.491  -3.294
   64    H    SER   7           HN       SER   7  -5.142  -3.070   1.615
   65    HA   SER   7           HA       SER   7  -7.696  -4.146   2.643
   66    HB2  SER   7           HB2      SER   7  -6.993  -3.640   4.968
   67    HB3  SER   7           HB1      SER   7  -6.056  -4.932   4.223
   68    HG   SER   7           HG       SER   7  -4.705  -3.462   5.285
   69    H    DTH   8           HN       DTC   8  -7.918  -2.464   4.803
   70    HA   DTH   8           HA       DTC   8  -7.947   0.275   3.821
   71    HB   DTH   8           HB       DTC   8  -8.705   0.958   6.027
   72   HG21  DTH   8          HG21      DTC   8  -6.318   0.380   5.786
   73   HG22  DTH   8          HG22      DTC   8  -6.668  -1.287   6.249
   74   HG23  DTH   8          HG23      DTC   8  -6.906   0.021   7.408
   75    H    ALA   9           HN       ALA   9  -9.560  -2.561   3.570
   76    HA   ALA   9           HA       ALA   9 -11.916  -1.519   2.424
   77    HB1  ALA   9           HB1      ALA   9 -11.251  -4.321   3.335
   78    HB2  ALA   9           HB2      ALA   9 -11.046  -3.664   1.712
   79    HB3  ALA   9           HB3      ALA   9 -12.663  -3.885   2.375
   80    H    LEU  10           HN       LEU  10 -11.496  -3.467   5.407
   81    HA   LEU  10           HA       LEU  10 -14.004  -2.314   6.417
   82    HB2  LEU  10           HB2      LEU  10 -12.345  -4.538   7.622
   83    HB3  LEU  10           HB1      LEU  10 -13.912  -3.987   8.182
   84    HG   LEU  10           HG       LEU  10 -15.051  -5.029   6.515
   85   HD11  LEU  10          HD11      LEU  10 -14.230  -4.084   4.590
   86   HD12  LEU  10          HD12      LEU  10 -13.794  -5.780   4.396
   87   HD13  LEU  10          HD13      LEU  10 -12.576  -4.607   4.902
   88   HD21  LEU  10          HD21      LEU  10 -14.497  -7.051   7.154
   89   HD22  LEU  10          HD22      LEU  10 -12.895  -6.482   7.622
   90   HD23  LEU  10          HD23      LEU  10 -13.180  -7.054   5.979
   91    H    ILE  11           HN       ILE  11 -10.663  -2.907   7.359
   92    HA   ILE  11           HA       ILE  11 -11.042  -0.728   9.347
   93    HB   ILE  11           HB       ILE  11  -8.568  -2.315   9.582
   94   HG12  ILE  11          HG12      ILE  11 -10.829  -3.708  10.826
   95   HG13  ILE  11          HG11      ILE  11 -10.861  -3.775   9.068
   96   HG21  ILE  11          HG21      ILE  11 -10.715  -1.483  11.534
   97   HG22  ILE  11          HG22      ILE  11  -9.234  -0.590  11.187
   98   HG23  ILE  11          HG23      ILE  11  -9.149  -2.174  11.958
   99   HD11  ILE  11          HD11      ILE  11  -8.549  -4.612  10.801
  100   HD12  ILE  11          HD12      ILE  11  -8.643  -4.745   9.045
  101   HD13  ILE  11          HD13      ILE  11  -9.726  -5.697  10.061
  102    H    ZAE   1           HN1      DPH   1  -7.196   5.701   4.218
  103    HA   ZAE   1           HA       DPH   1  -8.456   4.436   2.563
  104    HB2  ZAE   1           HB1      DPH   1  -9.620   3.313   4.194
  105    HB3  ZAE   1           HB2      DPH   1  -8.156   2.766   5.001
  106    HD1  ZAE   1           HD1      DPH   1  -8.371   3.402   7.144
  107    HD2  ZAE   1           HD2      DPH   1  -9.195   6.207   4.061
  108    HE1  ZAE   1           HE1      DPH   1  -8.671   5.145   8.837
  109    HE2  ZAE   1           HE2      DPH   1  -9.485   7.983   5.751
  110    HZ   ZAE   1           HZ       DPH   1  -9.228   7.443   8.147
  111    H11  ZAE   1          HN11      DPH   1  -5.468   3.335   4.067
  112    H12  ZAE   1          HN12      DPH   1  -6.257   4.013   5.495
  113    H13  ZAE   1          HN13      DPH   1  -4.943   4.890   4.713
  114    HN2  ZAE   1           HN2      DPH   1  -6.311   5.315   2.817
  115    H    ILE   2           HN       ILE   2  -7.319   3.557   0.859
  116    HA   ILE   2           HA       ILE   2  -6.972   0.718   1.264
  117    HB   ILE   2           HB       ILE   2  -8.056   2.118  -0.799
  118   HG12  ILE   2          HG12      ILE   2  -6.826  -0.635  -0.766
  119   HG13  ILE   2          HG11      ILE   2  -8.481  -0.186  -0.358
  120   HG21  ILE   2          HG21      ILE   2  -6.493   1.550  -2.750
  121   HG22  ILE   2          HG22      ILE   2  -5.213   1.490  -1.540
  122   HG23  ILE   2          HG23      ILE   2  -6.115   2.979  -1.792
  123   HD11  ILE   2          HD11      ILE   2  -7.185  -0.103  -3.051
  124   HD12  ILE   2          HD12      ILE   2  -8.787   0.555  -2.707
  125   HD13  ILE   2          HD13      ILE   2  -8.475  -1.171  -2.506
  126    H    SER   3           HN       SER   3  -5.249  -0.144   1.721
  127    HA   SER   3           HA       SER   3  -2.721   0.851   0.683
  128    HB2  SER   3           HB2      SER   3  -2.656  -0.209   3.431
  129    HB3  SER   3           HB1      SER   3  -1.694   1.068   2.698
  130    HG   SER   3           HG       SER   3  -4.417   1.537   3.164
  131    H    DAR   4           HN       DAR   4  -1.080  -0.674   0.855
  132    HA   DAR   4           HA       DAR   4  -2.049  -3.355   0.314
  133    HB2  DAR   4           HB1      DAR   4  -0.481  -2.565   2.675
  134    HB3  DAR   4           HB2      DAR   4   0.157  -3.938   1.791
  135    HG2  DAR   4           HG1      DAR   4  -1.850  -5.188   2.129
  136    HG3  DAR   4           HG2      DAR   4  -2.671  -3.767   2.787
  137    HD2  DAR   4           HD1      DAR   4  -1.577  -3.877   4.780
  138    HD3  DAR   4           HD2      DAR   4  -0.153  -4.641   4.085
  139    HE   DAR   4           HE       DAR   4  -2.317  -6.436   3.986
  140   HH11  DAR   4          HH21      DAR   4  -1.489  -8.041   7.015
  141   HH12  DAR   4          HH22      DAR   4  -2.421  -8.171   5.481
  142   HH21  DAR   4          HH11      DAR   4  -0.191  -6.153   7.415
  143   HH22  DAR   4          HH12      DAR   4  -0.113  -4.853   6.173
  144    HA   28J   5           HA       28J   5   1.983  -3.158  -1.556
  145    H22  28J   5           HB       28J   5  -0.000  -2.641  -3.193
  146    H23  28J   5          HG21      28J   5   1.656  -2.632  -5.102
  147    H24  28J   5          HG22      28J   5   2.798  -3.395  -3.996
  148    H25  28J   5          HG23      28J   5   2.156  -1.792  -3.636
  149    H26  28J   5          HG11      28J   5  -0.502  -5.102  -3.502
  150    H27  28J   5          HG12      28J   5   1.026  -5.231  -4.368
  151    H28  28J   5          HD11      28J   5  -1.302  -3.505  -5.179
  152    H29  28J   5          HD12      28J   5  -0.848  -5.048  -5.903
  153    H30  28J   5          HD13      28J   5   0.228  -3.657  -6.042
  154    H    ILE   6           HN       ILE   6   3.687  -4.430  -2.225
  155    HA   ILE   6           HA       ILE   6   3.262  -7.301  -1.999
  156    HB   ILE   6           HB       ILE   6   2.754  -7.263  -4.240
  157   HG12  ILE   6          HG12      ILE   6   5.704  -7.783  -4.090
  158   HG13  ILE   6          HG11      ILE   6   4.395  -8.956  -4.024
  159   HG21  ILE   6          HG21      ILE   6   4.817  -5.138  -4.687
  160   HG22  ILE   6          HG22      ILE   6   3.085  -5.069  -5.006
  161   HG23  ILE   6          HG23      ILE   6   4.133  -6.059  -6.025
  162   HD11  ILE   6          HD11      ILE   6   5.166  -7.304  -6.416
  163   HD12  ILE   6          HD12      ILE   6   3.899  -8.528  -6.365
  164   HD13  ILE   6          HD13      ILE   6   5.585  -8.993  -6.150
  165    H    SER   7           HN       SER   7   5.018  -8.471  -1.301
  166    HA   SER   7           HA       SER   7   7.663  -7.319  -1.517
  167    HB2  SER   7           HB2      SER   7   7.977  -7.527   1.022
  168    HB3  SER   7           HB1      SER   7   7.108  -6.117   0.415
  169    HG   SER   7           HG       SER   7   5.285  -7.876   0.738
  170    H    DTH   8           HN       DTC   8   9.273  -8.632  -0.212
  171    HA   DTH   8           HA       DTC   8   8.583 -11.498  -0.254
  172    HB   DTH   8           HB       DTC   8  10.352 -11.880   1.440
  173   HG21  DTH   8          HG21      DTC   8   8.491  -9.578   2.168
  174   HG22  DTH   8          HG22      DTC   8   9.287 -10.667   3.306
  175   HG23  DTH   8          HG23      DTC   8   8.069 -11.290   2.195
  176    H    ALA   9           HN       ALA   9  10.340  -9.086  -1.796
  177    HA   ALA   9           HA       ALA   9  12.204 -10.869  -3.155
  178    HB1  ALA   9           HB1      ALA   9  12.948  -8.691  -4.296
  179    HB2  ALA   9           HB2      ALA   9  11.582  -7.935  -3.482
  180    HB3  ALA   9           HB3      ALA   9  11.302  -9.236  -4.633
  181    H    LEU  10           HN       LEU  10  12.283  -7.804  -1.484
  182    HA   LEU  10           HA       LEU  10  15.133  -7.994  -1.021
  183    HB2  LEU  10           HB2      LEU  10  13.091  -6.025   0.025
  184    HB3  LEU  10           HB1      LEU  10  14.809  -5.937   0.354
  185    HG   LEU  10           HG       LEU  10  15.294  -5.582  -2.001
  186   HD11  LEU  10          HD11      LEU  10  13.132  -6.928  -2.603
  187   HD12  LEU  10          HD12      LEU  10  13.787  -5.707  -3.693
  188   HD13  LEU  10          HD13      LEU  10  12.415  -5.319  -2.655
  189   HD21  LEU  10          HD21      LEU  10  14.125  -3.734  -0.337
  190   HD22  LEU  10          HD22      LEU  10  13.149  -3.614  -1.800
  191   HD23  LEU  10          HD23      LEU  10  14.893  -3.375  -1.884
  192    H    ILE  11           HN       ILE  11  12.204  -7.997   0.974
  193    HA   ILE  11           HA       ILE  11  13.814  -9.579   2.907
  194    HB   ILE  11           HB       ILE  11  11.615  -7.901   4.037
  195   HG12  ILE  11          HG12      ILE  11  14.396  -6.806   3.524
  196   HG13  ILE  11          HG11      ILE  11  12.969  -6.322   2.617
  197   HG21  ILE  11          HG21      ILE  11  14.343  -8.712   5.031
  198   HG22  ILE  11          HG22      ILE  11  12.832  -9.551   5.383
  199   HG23  ILE  11          HG23      ILE  11  13.091  -7.910   5.978
  200   HD11  ILE  11          HD11      ILE  11  13.453  -5.905   5.561
  201   HD12  ILE  11          HD12      ILE  11  11.974  -5.466   4.705
  202   HD13  ILE  11          HD13      ILE  11  13.497  -4.674   4.299
  203    H    ZAE   1           HN1      DPH   1   7.081  -5.787   2.573
  204    HA   ZAE   1           HA       DPH   1   7.960  -4.576   0.685
  205    HB2  ZAE   1           HB1      DPH   1   9.498  -3.421   1.957
  206    HB3  ZAE   1           HB2      DPH   1   8.282  -2.847   3.086
  207    HD1  ZAE   1           HD1      DPH   1   8.936  -3.479   5.155
  208    HD2  ZAE   1           HD2      DPH   1   9.129  -6.285   1.966
  209    HE1  ZAE   1           HE1      DPH   1   9.650  -5.204   6.744
  210    HE2  ZAE   1           HE2      DPH   1   9.840  -8.022   3.559
  211    HZ   ZAE   1           HZ       DPH   1  10.104  -7.491   5.944
  212    H11  ZAE   1          HN11      DPH   1   5.536  -3.319   2.951
  213    H12  ZAE   1          HN12      DPH   1   6.664  -4.072   4.081
  214    H13  ZAE   1          HN13      DPH   1   5.131  -4.859   3.714
  215    HN2  ZAE   1           HN2      DPH   1   5.860  -5.309   1.491
  216    H    ILE   2           HN       ILE   2   6.615  -3.642  -0.788
  217    HA   ILE   2           HA       ILE   2   6.347  -0.807  -0.308
  218    HB   ILE   2           HB       ILE   2   7.234  -1.432  -2.448
  219   HG12  ILE   2          HG12      ILE   2   4.480  -0.235  -2.441
  220   HG13  ILE   2          HG11      ILE   2   6.038   0.575  -2.579
  221   HG21  ILE   2          HG21      ILE   2   6.156  -3.671  -2.604
  222   HG22  ILE   2          HG22      ILE   2   6.051  -2.733  -4.094
  223   HG23  ILE   2          HG23      ILE   2   4.651  -2.867  -3.038
  224   HD11  ILE   2          HD11      ILE   2   4.779   0.540  -4.668
  225   HD12  ILE   2          HD12      ILE   2   4.859  -1.223  -4.672
  226   HD13  ILE   2          HD13      ILE   2   6.339  -0.268  -4.790
  227    H    SER   3           HN       SER   3   4.806  -0.133   0.752
  228    HA   SER   3           HA       SER   3   2.105  -1.085   0.172
  229    HB2  SER   3           HB2      SER   3   2.346   0.006   2.829
  230    HB3  SER   3           HB1      SER   3   1.665  -1.532   2.315
  231    HG   SER   3           HG       SER   3   4.431  -1.380   2.287
  232    H    DAR   4           HN       DAR   4   0.508   0.398   0.634
  233    HA   DAR   4           HA       DAR   4   1.275   3.100  -0.117
  234    HB2  DAR   4           HB1      DAR   4   0.111   2.319   2.481
  235    HB3  DAR   4           HB2      DAR   4  -0.656   3.680   1.688
  236    HG2  DAR   4           HG1      DAR   4   1.346   4.945   1.722
  237    HG3  DAR   4           HG2      DAR   4   2.295   3.534   2.202
  238    HD2  DAR   4           HD1      DAR   4   1.575   3.607   4.365
  239    HD3  DAR   4           HD2      DAR   4   0.044   4.373   3.947
  240    HE   DAR   4           HE       DAR   4   2.181   6.138   3.433
  241   HH11  DAR   4          HH21      DAR   4   1.896   7.870   6.478
  242   HH12  DAR   4          HH22      DAR   4   2.568   7.911   4.810
  243   HH21  DAR   4          HH11      DAR   4   0.673   6.057   7.187
  244   HH22  DAR   4          HH12      DAR   4   0.372   4.684   6.064
  245    HA   28J   5           HA       28J   5  -2.993   2.740  -1.338
  246    H22  28J   5           HB       28J   5  -1.228   2.381  -3.259
  247    H23  28J   5          HG21      28J   5  -4.167   2.890  -3.563
  248    H24  28J   5          HG22      28J   5  -3.318   1.349  -3.444
  249    H25  28J   5          HG23      28J   5  -3.176   2.324  -4.907
  250    H26  28J   5          HG11      28J   5  -0.922   4.855  -3.588
  251    H27  28J   5          HG12      28J   5  -2.578   4.928  -4.178
  252    H28  28J   5          HD11      28J   5  -0.891   4.876  -5.977
  253    H29  28J   5          HD12      28J   5  -2.031   3.532  -6.053
  254    H30  28J   5          HD13      28J   5  -0.402   3.273  -5.431
  255    H    ILE   6           HN       ILE   6  -4.817   3.985  -1.522
  256    HA   ILE   6           HA       ILE   6  -4.487   6.843  -1.321
  257    HB   ILE   6           HB       ILE   6  -4.277   7.046  -3.571
  258   HG12  ILE   6          HG12      ILE   6  -7.275   6.937  -3.577
  259   HG13  ILE   6          HG11      ILE   6  -6.376   8.243  -2.815
  260   HG21  ILE   6          HG21      ILE   6  -6.228   4.833  -4.170
  261   HG22  ILE   6          HG22      ILE   6  -4.473   4.669  -4.194
  262   HG23  ILE   6          HG23      ILE   6  -5.278   5.731  -5.351
  263   HD11  ILE   6          HD11      ILE   6  -5.272   8.514  -5.126
  264   HD12  ILE   6          HD12      ILE   6  -6.931   9.069  -4.911
  265   HD13  ILE   6          HD13      ILE   6  -6.613   7.528  -5.705
  266    H    SER   7           HN       SER   7  -6.263   7.955  -0.525
  267    HA   SER   7           HA       SER   7  -8.859   6.713  -0.507
  268    HB2  SER   7           HB2      SER   7  -9.011   6.511   1.943
  269    HB3  SER   7           HB1      SER   7  -7.794   5.427   1.263
  270    HG   SER   7           HG       SER   7  -6.818   7.865   1.866
  271    H    DTH   8           HN       DTC   8 -10.464   7.901   0.649
  272    HA   DTH   8           HA       DTC   8  -9.910  10.781   0.760
  273    HB   DTH   8           HB       DTC   8 -11.284  11.035   2.822
  274   HG21  DTH   8          HG21      DTC   8  -9.692   9.880   4.373
  275   HG22  DTH   8          HG22      DTC   8  -8.862  10.735   3.071
  276   HG23  DTH   8          HG23      DTC   8  -9.042   8.982   3.003
  277    H    ALA   9           HN       ALA   9 -11.839   8.323  -0.478
  278    HA   ALA   9           HA       ALA   9 -14.052  10.020  -1.270
  279    HB1  ALA   9           HB1      ALA   9 -14.949   7.604  -2.010
  280    HB2  ALA   9           HB2      ALA   9 -13.232   7.228  -1.895
  281    HB3  ALA   9           HB3      ALA   9 -13.777   8.505  -2.976
  282    H    LEU  10           HN       LEU  10 -13.541   7.061   0.499
  283    HA   LEU  10           HA       LEU  10 -16.235   7.206   1.633
  284    HB2  LEU  10           HB2      LEU  10 -14.065   5.150   2.096
  285    HB3  LEU  10           HB1      LEU  10 -15.705   5.064   2.703
  286    HG   LEU  10           HG       LEU  10 -16.606   4.757   0.512
  287   HD11  LEU  10          HD11      LEU  10 -15.484   5.036  -1.474
  288   HD12  LEU  10          HD12      LEU  10 -13.898   4.866  -0.723
  289   HD13  LEU  10          HD13      LEU  10 -14.835   6.340  -0.480
  290   HD21  LEU  10          HD21      LEU  10 -14.153   3.047   0.905
  291   HD22  LEU  10          HD22      LEU  10 -15.417   2.717  -0.277
  292   HD23  LEU  10          HD23      LEU  10 -15.795   2.692   1.444
  293    H    ILE  11           HN       ILE  11 -12.906   6.882   2.816
  294    HA   ILE  11           HA       ILE  11 -13.873   8.341   5.223
  295    HB   ILE  11           HB       ILE  11 -11.307   6.847   5.455
  296   HG12  ILE  11          HG12      ILE  11 -13.999   5.447   5.576
  297   HG13  ILE  11          HG11      ILE  11 -12.792   5.192   4.322
  298   HG21  ILE  11          HG21      ILE  11 -13.686   7.177   7.278
  299   HG22  ILE  11          HG22      ILE  11 -12.267   8.225   7.261
  300   HG23  ILE  11          HG23      ILE  11 -12.109   6.530   7.725
  301   HD11  ILE  11          HD11      ILE  11 -12.564   4.499   7.243
  302   HD12  ILE  11          HD12      ILE  11 -11.235   4.378   6.091
  303   HD13  ILE  11          HD13      ILE  11 -12.678   3.385   5.881
  304    H    ZAE   1           HN1      DPH   1  -7.607  16.959   2.217
  305    HA   ZAE   1           HA       DPH   1  -8.545  15.742   0.241
  306    HB2  ZAE   1           HB1      DPH   1 -10.348  15.018   1.477
  307    HB3  ZAE   1           HB2      DPH   1  -9.344  14.316   2.739
  308    HD1  ZAE   1           HD1      DPH   1  -9.357  15.367   4.795
  309    HD2  ZAE   1           HD2      DPH   1 -10.076  17.673   1.278
  310    HE1  ZAE   1           HE1      DPH   1  -9.749  17.369   6.188
  311    HE2  ZAE   1           HE2      DPH   1 -10.471  19.666   2.661
  312    HZ   ZAE   1           HZ       DPH   1 -10.305  19.522   5.118
  313    H11  ZAE   1          HN11      DPH   1  -6.026  14.487   2.454
  314    H12  ZAE   1          HN12      DPH   1  -7.168  15.112   3.643
  315    H13  ZAE   1          HN13      DPH   1  -5.694  16.010   3.283
  316    HN2  ZAE   1           HN2      DPH   1  -6.500  16.421   1.055
  317    H    ILE   2           HN       ILE   2  -6.742  14.549  -0.762
  318    HA   ILE   2           HA       ILE   2  -7.151  11.701  -0.433
  319    HB   ILE   2           HB       ILE   2  -6.930  12.957  -2.698
  320   HG12  ILE   2          HG12      ILE   2  -6.742  10.377  -2.150
  321   HG13  ILE   2          HG11      ILE   2  -6.396  10.988  -3.761
  322   HG21  ILE   2          HG21      ILE   2  -4.025  12.806  -1.903
  323   HG22  ILE   2          HG22      ILE   2  -4.964  14.235  -2.338
  324   HG23  ILE   2          HG23      ILE   2  -4.581  13.027  -3.562
  325   HD11  ILE   2          HD11      ILE   2  -3.989  10.992  -3.176
  326   HD12  ILE   2          HD12      ILE   2  -4.731   9.391  -3.166
  327   HD13  ILE   2          HD13      ILE   2  -4.412  10.225  -1.645
  328    H    SER   3           HN       SER   3  -5.652  10.261   0.343
  329    HA   SER   3           HA       SER   3  -2.988  11.229   0.992
  330    HB2  SER   3           HB2      SER   3  -4.772   9.959   3.067
  331    HB3  SER   3           HB1      SER   3  -3.042  10.194   3.259
  332    HG   SER   3           HG       SER   3  -4.135  12.522   2.573
  333    H    DAR   4           HN       DAR   4  -1.544   9.472   1.669
  334    HA   DAR   4           HA       DAR   4  -2.104   7.106   0.022
  335    HB2  DAR   4           HB1      DAR   4  -0.580   7.028   2.602
  336    HB3  DAR   4           HB2      DAR   4  -1.181   5.672   1.653
  337    HG2  DAR   4           HG1      DAR   4  -3.349   5.988   2.338
  338    HG3  DAR   4           HG2      DAR   4  -3.076   7.679   2.765
  339    HD2  DAR   4           HD1      DAR   4  -3.127   6.735   4.849
  340    HD3  DAR   4           HD2      DAR   4  -1.401   6.616   4.497
  341    HE   DAR   4           HE       DAR   4  -2.583   4.317   3.528
  342   HH11  DAR   4          HH21      DAR   4  -2.613   2.375   6.447
  343   HH12  DAR   4          HH22      DAR   4  -2.793   2.358   4.657
  344   HH21  DAR   4          HH11      DAR   4  -2.250   4.358   7.553
  345   HH22  DAR   4          HH12      DAR   4  -1.991   5.871   6.618
  346    HA   28J   5           HA       28J   5   2.271   7.318  -0.519
  347    H22  28J   5           HB       28J   5   1.025   8.645  -2.386
  348    H23  28J   5          HG21      28J   5   3.131   9.009  -3.549
  349    H24  28J   5          HG22      28J   5   3.782   7.517  -2.872
  350    H25  28J   5          HG23      28J   5   3.401   8.874  -1.812
  351    H26  28J   5          HG11      28J   5   0.313   6.573  -3.629
  352    H27  28J   5          HG12      28J   5   2.008   6.272  -3.998
  353    H28  28J   5          HD11      28J   5   0.368   8.627  -4.899
  354    H29  28J   5          HD12      28J   5   0.952   7.292  -5.891
  355    H30  28J   5          HD13      28J   5   2.096   8.435  -5.187
  356    H    ILE   6           HN       ILE   6   3.972   6.166  -1.457
  357    HA   ILE   6           HA       ILE   6   3.517   3.309  -1.667
  358    HB   ILE   6           HB       ILE   6   3.094   3.956  -3.889
  359   HG12  ILE   6          HG12      ILE   6   5.988   3.115  -3.921
  360   HG13  ILE   6          HG11      ILE   6   4.657   2.016  -3.576
  361   HG21  ILE   6          HG21      ILE   6   5.251   5.223  -5.014
  362   HG22  ILE   6          HG22      ILE   6   5.156   5.981  -3.425
  363   HG23  ILE   6          HG23      ILE   6   3.758   6.002  -4.497
  364   HD11  ILE   6          HD11      ILE   6   3.829   2.196  -5.750
  365   HD12  ILE   6          HD12      ILE   6   5.577   2.011  -5.904
  366   HD13  ILE   6          HD13      ILE   6   4.839   3.601  -6.094
  367    H    SER   7           HN       SER   7   4.974   2.562  -0.173
  368    HA   SER   7           HA       SER   7   7.822   2.972  -0.664
  369    HB2  SER   7           HB2      SER   7   8.270   3.571   1.735
  370    HB3  SER   7           HB1      SER   7   7.461   4.846   0.820
  371    HG   SER   7           HG       SER   7   5.591   3.292   1.844
  372    H    DTH   8           HN       DTC   8   9.196   1.638   0.560
  373    HA   DTH   8           HA       DTC   8   8.294  -0.941   1.306
  374    HB   DTH   8           HB       DTC   8   9.086  -1.112   3.631
  375   HG21  DTH   8          HG21      DTC   8   7.408   0.232   4.805
  376   HG22  DTH   8          HG22      DTC   8   6.714  -0.443   3.330
  377   HG23  DTH   8          HG23      DTC   8   7.195   1.253   3.384
  378    H    ALA   9           HN       ALA   9  10.684   0.869   0.046
  379    HA   ALA   9           HA       ALA   9  12.818  -0.862   0.349
  380    HB1  ALA   9           HB1      ALA   9  12.493   0.646  -1.557
  381    HB2  ALA   9           HB2      ALA   9  14.080   0.842  -0.812
  382    HB3  ALA   9           HB3      ALA   9  12.806   2.020  -0.497
  383    H    LEU  10           HN       LEU  10  12.636   2.436   1.274
  384    HA   LEU  10           HA       LEU  10  14.858   2.370   3.030
  385    HB2  LEU  10           HB2      LEU  10  12.693   4.459   3.211
  386    HB3  LEU  10           HB1      LEU  10  14.402   4.621   3.555
  387    HG   LEU  10           HG       LEU  10  14.655   4.102   0.972
  388   HD11  LEU  10          HD11      LEU  10  11.805   4.702   1.376
  389   HD12  LEU  10          HD12      LEU  10  12.609   3.750   0.128
  390   HD13  LEU  10          HD13      LEU  10  12.598   5.510   0.025
  391   HD21  LEU  10          HD21      LEU  10  15.370   6.195   2.061
  392   HD22  LEU  10          HD22      LEU  10  13.717   6.805   1.961
  393   HD23  LEU  10          HD23      LEU  10  14.630   6.483   0.487
  394    H    ILE  11           HN       ILE  11  11.409   2.029   3.480
  395    HA   ILE  11           HA       ILE  11  11.803   1.198   6.253
  396    HB   ILE  11           HB       ILE  11   9.495   2.833   6.425
  397   HG12  ILE  11          HG12      ILE  11  11.847   4.425   5.343
  398   HG13  ILE  11          HG11      ILE  11  10.297   4.216   4.539
  399   HG21  ILE  11          HG21      ILE  11  12.247   3.280   7.554
  400   HG22  ILE  11          HG22      ILE  11  11.008   2.224   8.234
  401   HG23  ILE  11          HG23      ILE  11  10.748   3.968   8.176
  402   HD11  ILE  11          HD11      ILE  11  10.847   5.740   7.080
  403   HD12  ILE  11          HD12      ILE  11   9.229   5.412   6.459
  404   HD13  ILE  11          HD13      ILE  11  10.353   6.392   5.518
  405    H1   ALA   1           HN       ALA   1 -14.187 -12.624   5.283
  406    HA   ALA   1           HA       ALA   1 -16.696 -13.804   5.414
  407    HB1  ALA   1           HB1      ALA   1 -18.227 -11.945   5.284
  408    HB2  ALA   1           HB2      ALA   1 -16.898 -10.784   5.376
  409    HB3  ALA   1           HB3      ALA   1 -17.268 -11.818   6.758
  410    H    DGL   2           HN       DGL   2 -17.866 -11.385   3.600
  411    HA   DGL   2           HA       DGL   2 -17.337 -10.455   1.705
  412    HB2  DGL   2           HB1      DGL   2 -16.982 -12.467  -0.225
  413    HB3  DGL   2           HB2      DGL   2 -18.488 -12.624   0.670
  414    HG2  DGL   2           HG1      DGL   2 -17.851 -14.661   1.534
  415    HG3  DGL   2           HG2      DGL   2 -16.258 -14.102   1.982
  416    H    LYS   3           HN       LYS   3 -15.426 -13.379  -0.656
  417    HA   LYS   3           HA       LYS   3 -14.328 -14.138  -2.370
  418    HB2  LYS   3           HB2      LYS   3 -14.317 -16.503  -0.591
  419    HB3  LYS   3           HB1      LYS   3 -13.638 -16.691  -2.217
  420    HG2  LYS   3           HG2      LYS   3 -12.862 -14.719  -0.069
  421    HG3  LYS   3           HG1      LYS   3 -11.872 -15.975  -0.773
  422    HD2  LYS   3           HD2      LYS   3 -10.943 -14.540  -2.255
  423    HD3  LYS   3           HD1      LYS   3 -12.535 -14.341  -2.908
  424    HE2  LYS   3           HE2      LYS   3 -11.802 -12.647  -0.543
  425    HE3  LYS   3           HE1      LYS   3 -11.281 -12.270  -2.352
  426    HZ1  LYS   3           HZ1      LYS   3 -14.019 -11.800  -1.232
  427    HZ2  LYS   3           HZ2      LYS   3 -13.460 -11.784  -2.799
  428    HZ3  LYS   3           HZ3      LYS   3 -12.878 -10.652  -1.703
  429    H    DAL   4           HN       DAL   4 -15.401 -13.512  -3.831
  430    HA   DAL   4           HA       DAL   4 -17.738 -14.284  -5.523
  431    HB1  DAL   4           HB1      DAL   4 -17.095 -16.491  -5.794
  432    HB2  DAL   4           HB2      DAL   4 -15.721 -15.987  -6.752
  433    HB3  DAL   4           HB3      DAL   4 -17.339 -15.613  -7.310
  434    H    DAL   5           HN       DAL   5 -17.025 -11.906  -4.383
  435    HA   DAL   5           HA       DAL   5 -16.763  -9.326  -4.866
  436    HB1  DAL   5           HB1      DAL   5 -17.689 -10.090  -7.107
  437    HB2  DAL   5           HB2      DAL   5 -16.228 -11.010  -7.374
  438    HB3  DAL   5           HB3      DAL   5 -16.177  -9.265  -7.465
  439    H1   ALA   1           HN       ALA   1  13.324  -1.889  -8.123
  440    HA   ALA   1           HA       ALA   1  14.557  -0.293 -10.031
  441    HB1  ALA   1           HB1      ALA   1  13.357   1.578  -9.074
  442    HB2  ALA   1           HB2      ALA   1  15.078   1.735  -8.709
  443    HB3  ALA   1           HB3      ALA   1  13.957   1.168  -7.469
  444    H    DGL   2           HN       DGL   2  16.767   0.901  -8.838
  445    HA   DGL   2           HA       DGL   2  18.380   0.606  -7.274
  446    HB2  DGL   2           HB1      DGL   2  19.180  -1.993  -7.233
  447    HB3  DGL   2           HB2      DGL   2  19.431  -1.119  -8.732
  448    HG2  DGL   2           HG1      DGL   2  18.061  -2.572  -9.869
  449    HG3  DGL   2           HG2      DGL   2  16.783  -2.461  -8.684
  450    H    LYS   3           HN       LYS   3  17.737  -3.561  -6.490
  451    HA   LYS   3           HA       LYS   3  17.989  -5.425  -5.405
  452    HB2  LYS   3           HB2      LYS   3  16.560  -6.124  -7.568
  453    HB3  LYS   3           HB1      LYS   3  17.857  -7.331  -7.636
  454    HG2  LYS   3           HG2      LYS   3  16.004  -6.701  -5.335
  455    HG3  LYS   3           HG1      LYS   3  16.091  -8.189  -6.249
  456    HD2  LYS   3           HD2      LYS   3  18.054  -8.998  -5.163
  457    HD3  LYS   3           HD1      LYS   3  18.458  -7.383  -4.684
  458    HE2  LYS   3           HE1      LYS   3  16.228  -7.571  -3.201
  459    HE3  LYS   3           HE2      LYS   3  16.872  -9.374  -3.336
  460    HZ1  LYS   3           HZ1      LYS   3  17.217  -8.367  -1.059
  461    HZ2  LYS   3           HZ2      LYS   3  18.231  -7.234  -1.847
  462    HZ3  LYS   3           HZ3      LYS   3  18.604  -8.883  -1.866
  463    H    DAL   4           HN       DAL   4  19.902  -4.087  -5.417
  464    HA   DAL   4           HA       DAL   4  22.402  -3.759  -4.976
  465    HB1  DAL   4           HB1      DAL   4  23.006  -4.236  -7.174
  466    HB2  DAL   4           HB2      DAL   4  23.306  -5.900  -6.728
  467    HB3  DAL   4           HB3      DAL   4  24.233  -4.625  -5.962
  468    H    DAL   5           HN       DAL   5  21.398  -3.862  -2.792
  469    HA   DAL   5           HA       DAL   5  21.298  -4.589  -0.235
  470    HB1  DAL   5           HB1      DAL   5  23.658  -5.231  -0.848
  471    HB2  DAL   5           HB2      DAL   5  23.022  -6.412  -1.969
  472    HB3  DAL   5           HB3      DAL   5  22.903  -6.706  -0.251
  473    H1   ALA   1           HN       ALA   1 -15.565   0.490  -2.908
  474    HA   ALA   1           HA       ALA   1 -17.377  -1.531  -3.536
  475    HB1  ALA   1           HB1      ALA   1 -16.899  -2.172  -1.148
  476    HB2  ALA   1           HB2      ALA   1 -18.602  -1.900  -1.532
  477    HB3  ALA   1           HB3      ALA   1 -17.678  -0.663  -0.678
  478    H    DGL   2           HN       DGL   2 -19.664  -0.519  -1.819
  479    HA   DGL   2           HA       DGL   2 -20.919   1.408  -1.532
  480    HB2  DGL   2           HB1      DGL   2 -21.414   2.693  -3.663
  481    HB3  DGL   2           HB2      DGL   2 -21.864   0.998  -3.722
  482    HG2  DGL   2           HG1      DGL   2 -20.339   0.544  -5.400
  483    HG3  DGL   2           HG2      DGL   2 -19.123   1.639  -4.786
  484    H    LYS   3           HN       LYS   3 -19.873   4.013  -4.961
  485    HA   LYS   3           HA       LYS   3 -20.189   5.765  -6.194
  486    HB2  LYS   3           HB2      LYS   3 -19.319   3.746  -7.999
  487    HB3  LYS   3           HB1      LYS   3 -20.351   4.897  -8.868
  488    HG2  LYS   3           HG2      LYS   3 -17.861   5.415  -7.255
  489    HG3  LYS   3           HG1      LYS   3 -18.159   5.799  -8.935
  490    HD2  LYS   3           HD2      LYS   3 -19.224   7.370  -6.536
  491    HD3  LYS   3           HD1      LYS   3 -18.116   7.812  -7.793
  492    HE2  LYS   3           HE1      LYS   3 -19.830   8.930  -8.751
  493    HE3  LYS   3           HE2      LYS   3 -20.343   7.138  -9.207
  494    HZ1  LYS   3           HZ1      LYS   3 -22.305   7.308  -8.098
  495    HZ2  LYS   3           HZ2      LYS   3 -22.054   8.848  -8.674
  496    HZ3  LYS   3           HZ3      LYS   3 -21.759   8.513  -7.055
  497    H    DAL   4           HN       DAL   4 -22.161   4.337  -4.972
  498    HA   DAL   4           HA       DAL   4 -24.549   4.635  -4.176
  499    HB1  DAL   4           HB1      DAL   4 -25.522   3.913  -6.780
  500    HB2  DAL   4           HB2      DAL   4 -26.351   3.908  -5.240
  501    HB3  DAL   4           HB3      DAL   4 -25.084   2.735  -5.537
  502    H    DAL   5           HN       DAL   5 -23.390   6.751  -3.494
  503    HA   DAL   5           HA       DAL   5 -23.478   9.356  -2.952
  504    HB1  DAL   5           HB1      DAL   5 -25.929   8.849  -3.195
  505    HB2  DAL   5           HB2      DAL   5 -25.655   8.422  -4.867
  506    HB3  DAL   5           HB3      DAL   5 -25.591  10.100  -4.387
  507    H1   ALA   1           HN       ALA   1  18.583   4.909  -4.780
  508    HA   ALA   1           HA       ALA   1  21.349   4.956  -4.940
  509    HB1  ALA   1           HB1      ALA   1  21.119   2.830  -3.630
  510    HB2  ALA   1           HB2      ALA   1  22.002   2.665  -5.150
  511    HB3  ALA   1           HB3      ALA   1  20.325   2.128  -5.039
  512    H    DGL   2           HN       DGL   2  21.577   2.563  -6.913
  513    HA   DGL   2           HA       DGL   2  20.570   1.863  -8.733
  514    HB2  DGL   2           HB1      DGL   2  20.625   3.999 -10.582
  515    HB3  DGL   2           HB2      DGL   2  22.197   3.564  -9.923
  516    HG2  DGL   2           HG1      DGL   2  22.426   5.609  -8.886
  517    HG3  DGL   2           HG2      DGL   2  20.784   5.637  -8.291
  518    H    LYS   3           HN       LYS   3  19.257   5.720 -10.461
  519    HA   LYS   3           HA       LYS   3  18.303   7.039 -11.903
  520    HB2  LYS   3           HB2      LYS   3  20.118   8.938 -10.543
  521    HB3  LYS   3           HB1      LYS   3  19.224   9.525 -11.957
  522    HG2  LYS   3           HG2      LYS   3  18.205   8.456  -9.349
  523    HG3  LYS   3           HG1      LYS   3  17.765   9.930 -10.179
  524    HD2  LYS   3           HD2      LYS   3  15.817   8.930 -10.790
  525    HD3  LYS   3           HD1      LYS   3  16.840   8.133 -11.938
  526    HE2  LYS   3           HE1      LYS   3  16.674   6.742  -9.323
  527    HE3  LYS   3           HE2      LYS   3  15.171   6.799 -10.513
  528    HZ1  LYS   3           HZ1      LYS   3  17.513   4.966 -10.674
  529    HZ2  LYS   3           HZ2      LYS   3  16.611   5.506 -12.025
  530    HZ3  LYS   3           HZ3      LYS   3  15.859   4.658 -10.768
  531    H    DAL   4           HN       DAL   4  19.954   5.195 -12.641
  532    HA   DAL   4           HA       DAL   4  21.396   4.222 -14.618
  533    HB1  DAL   4           HB1      DAL   4  21.463   6.685 -16.096
  534    HB2  DAL   4           HB2      DAL   4  22.266   5.167 -16.422
  535    HB3  DAL   4           HB3      DAL   4  22.780   6.134 -15.055
  536    H    DAL   5           HN       DAL   5  19.237   3.135 -13.652
  537    HA   DAL   5           HA       DAL   5  17.164   1.530 -14.167
  538    HB1  DAL   5           HB1      DAL   5  18.321   1.416 -16.405
  539    HB2  DAL   5           HB2      DAL   5  18.059   3.134 -16.594
  540    HB3  DAL   5           HB3      DAL   5  16.706   2.039 -16.729
  541    H12  P1W 103           H12      TPL  10  -8.389  -8.572   3.969
  542    H11  P1W 103           H11      TPL  10  -7.298  -8.303   2.616
  543    H2   P1W 103           H2       TPL  10 -10.058  -7.044   2.922
  544    H43  P1W 103           H42      TPL  10 -11.093  -6.506   0.846
  545    H42  P1W 103           H41      TPL  10 -10.056  -6.390  -0.576
  546    H51  P1W 103           H51      TPL  10  -8.386  -8.187  -0.841
  547    H52  P1W 103           H52      TPL  10  -8.169  -9.335   0.482
  548    H53  P1W 103           H53      TPL  10  -7.203  -7.857   0.423
  549    H12  P1W 104           H12      TPL  11 -10.591  -9.095  -0.387
  550    H11  P1W 104           H11      TPL  11 -12.119  -8.360   0.093
  551    H2   P1W 104           H2       TPL  11 -11.922  -6.914  -2.043
  552    H43  P1W 104           H42      TPL  11 -11.685  -9.118  -4.876
  553    H42  P1W 104           H41      TPL  11 -12.069  -7.465  -4.386
  554    H51  P1W 104           H51      TPL  11 -10.494 -10.492  -2.096
  555    H52  P1W 104           H52      TPL  11  -9.095  -9.463  -2.415
  556    H53  P1W 104           H53      TPL  11  -9.923 -10.271  -3.746
  557    H12  P1W 105           H12      TPL  11   8.038 -11.204  -6.156
  558    H11  P1W 105           H11      TPL  11   7.789 -11.016  -7.889
  559    H2   P1W 105           H2       TPL  11  10.522 -10.631  -7.702
  560    H43  P1W 105           H42      TPL  11  11.555 -14.154  -7.203
  561    H42  P1W 105           H41      TPL  11  12.028 -12.631  -7.957
  562    H51  P1W 105           H51      TPL  11   8.394 -13.518  -6.376
  563    H52  P1W 105           H52      TPL  11   9.288 -13.004  -4.945
  564    H53  P1W 105           H53      TPL  11   9.819 -14.413  -5.859
  565    H12  P1W 106           H12      TPL  12  -9.840  -6.736  -4.761
  566    H11  P1W 106           H11      TPL  12  -9.241  -8.390  -4.884
  567    H2   P1W 106           H2       TPL  12 -10.331  -8.681  -7.045
  568    H43  P1W 106           H43      TPL  12  -9.932  -6.155  -9.333
  569    H41  P1W 106           H41      TPL  12 -11.667  -6.121  -9.033
  570    H42  P1W 106           H42      TPL  12 -10.822  -7.667  -9.127
  571    H51  P1W 106           H51      TPL  12 -11.187  -5.076  -5.975
  572    H52  P1W 106           H52      TPL  12 -10.600  -4.464  -7.521
  573    H53  P1W 106           H53      TPL  12  -9.454  -5.006  -6.298
  574    H12  P1W 107           H12      TPL  12  12.467 -11.762  -5.612
  575    H11  P1W 107           H11      TPL  12  12.299 -13.427  -5.064
  576    H2   P1W 107           H2       TPL  12  14.126 -13.924  -6.907
  577    H43  P1W 107           H43      TPL  12  17.070 -11.773  -6.366
  578    H41  P1W 107           H41      TPL  12  16.477 -13.178  -7.251
  579    H42  P1W 107           H42      TPL  12  16.929 -13.334  -5.552
  580    H51  P1W 107           H51      TPL  12  15.912 -10.902  -4.542
  581    H52  P1W 107           H52      TPL  12  14.243 -11.333  -4.175
  582    H53  P1W 107           H53      TPL  12  14.598 -10.272  -5.538
  583    H12  P1W 103           H12      TPL  10   7.977  -7.043  -3.225
  584    H11  P1W 103           H11      TPL  10   9.145  -8.298  -2.843
  585    H2   P1W 103           H2       TPL  10   9.321  -6.956  -5.552
  586    H43  P1W 103           H42      TPL  10   7.654  -8.811  -7.399
  587    H42  P1W 103           H41      TPL  10   9.414  -8.873  -7.320
  588    H51  P1W 103           H51      TPL  10   8.245 -10.618  -4.239
  589    H52  P1W 103           H52      TPL  10   6.782 -10.172  -5.121
  590    H53  P1W 103           H53      TPL  10   7.266  -9.264  -3.684
  591    H12  P1W 103           H12      TPL  10 -12.411   7.845  -3.941
  592    H11  P1W 103           H11      TPL  10 -11.980   7.171  -5.504
  593    H2   P1W 103           H2       TPL  10  -9.632   8.244  -4.057
  594    H43  P1W 103           H42      TPL  10  -8.768  10.295  -5.735
  595    H42  P1W 103           H41      TPL  10  -9.979  11.574  -5.833
  596    H51  P1W 103           H51      TPL  10 -12.695  10.364  -4.713
  597    H52  P1W 103           H52      TPL  10 -12.543   9.381  -6.169
  598    H53  P1W 103           H53      TPL  10 -11.986  11.059  -6.167
  599    H12  P1W 103           H12      TPL  10  10.946   4.860  -2.452
  600    H11  P1W 103           H11      TPL  10   9.893   5.960  -1.552
  601    H2   P1W 103           H2       TPL  10   8.441   6.104  -3.339
  602    H43  P1W 103           H42      TPL  10   6.844   4.232  -5.316
  603    H42  P1W 103           H41      TPL  10   7.655   5.791  -5.357
  604    H51  P1W 103           H51      TPL  10  10.043   2.644  -4.474
  605    H52  P1W 103           H52      TPL  10   8.340   2.214  -4.653
  606    H53  P1W 103           H53      TPL  10   9.009   2.527  -3.051
  607    H12  P1W 104           H12      TPL  11  -8.779  10.416  -3.308
  608    H11  P1W 104           H11      TPL  11  -8.428  12.006  -3.982
  609    H2   P1W 104           H2       TPL  11 -10.777  11.161  -2.360
  610    H43  P1W 104           H42      TPL  11 -12.078  14.680  -2.715
  611    H42  P1W 104           H41      TPL  11 -12.641  13.048  -2.352
  612    H51  P1W 104           H51      TPL  11  -8.890  14.365  -3.302
  613    H52  P1W 104           H52      TPL  11 -10.383  15.132  -3.845
  614    H53  P1W 104           H53      TPL  11  -9.633  13.870  -4.820
  615    H12  P1W 105           H12      TPL  11   8.898   5.240  -7.124
  616    H11  P1W 105           H11      TPL  11   9.126   3.568  -6.613
  617    H2   P1W 105           H2       TPL  11   6.388   4.424  -7.544
  618    H43  P1W 105           H42      TPL  11   6.593   1.800 -10.004
  619    H42  P1W 105           H41      TPL  11   5.532   3.028  -9.305
  620    H51  P1W 105           H51      TPL  11   9.463   2.321  -8.413
  621    H52  P1W 105           H52      TPL  11   9.558   3.687  -9.526
  622    H53  P1W 105           H53      TPL  11   8.918   2.140 -10.074
  623    H12  P1W 106           H12      TPL  12 -11.402  12.970  -0.327
  624    H11  P1W 106           H11      TPL  12 -10.490  14.419  -0.745
  625    H2   P1W 106           H2       TPL  12 -12.844  15.591  -0.717
  626    H43  P1W 106           H43      TPL  12 -13.929  15.390   2.874
  627    H41  P1W 106           H41      TPL  12 -14.890  15.322   1.398
  628    H42  P1W 106           H42      TPL  12 -13.669  16.580   1.594
  629    H51  P1W 106           H51      TPL  12 -12.364  13.935   3.119
  630    H52  P1W 106           H52      TPL  12 -11.273  13.392   1.846
  631    H53  P1W 106           H53      TPL  12 -12.872  12.666   2.003
  632    H12  P1W 107           H12      TPL  12   6.451   4.707 -10.814
  633    H11  P1W 107           H11      TPL  12   7.557   3.519 -11.494
  634    H2   P1W 107           H2       TPL  12   4.531   3.193 -11.619
  635    H43  P1W 107           H43      TPL  12   4.355   3.302 -14.898
  636    H41  P1W 107           H41      TPL  12   3.779   2.149 -13.695
  637    H42  P1W 107           H42      TPL  12   4.991   1.654 -14.879
  638    H51  P1W 107           H51      TPL  12   7.626   3.858 -13.716
  639    H52  P1W 107           H52      TPL  12   7.053   2.804 -15.009
  640    H53  P1W 107           H53      TPL  12   7.733   2.105 -13.541
  641    H1   MUB 101           H1       NAM   6 -12.872  -8.612   6.413
  642    H2   MUB 101           H2       NAM   6 -12.259 -10.173   8.051
  643    HN2  MUB 101           HN2      NAM   6 -10.197 -10.146   8.768
  644    H81  MUB 101           H81      NAM   6  -8.070 -11.607   8.757
  645    H82  MUB 101           H82      NAM   6  -7.575 -10.036   8.134
  646    H83  MUB 101           H83      NAM   6  -7.230 -11.484   7.191
  647    H3   MUB 101           H3       NAM   6 -10.872 -11.748   5.782
  648    H9   MUB 101           H9       NAM   6 -13.579 -11.409   7.335
  649   H111  MUB 101          H111      NAM   6 -12.995 -11.119   9.527
  650   H112  MUB 101          H112      NAM   6 -12.283 -12.698   9.538
  651   H113  MUB 101          H113      NAM   6 -13.987 -12.621   9.823
  652    H4A  MUB 101           H4       NAM   6 -13.873 -10.972   5.420
  653    H5   MUB 101           H5       NAM   6 -11.854  -9.980   3.430
  654    H61  MUB 101           H61      NAM   6 -13.283  -8.563   2.765
  655    H62  MUB 101           H62      NAM   6 -13.513  -7.908   4.455
  656    HO6  MUB 101           HO6      NAM   6 -14.750 -10.226   3.131
  657    H1   NAG 102           H1       NAG   7 -11.358 -13.107   4.723
  658    H2   NAG 102           H2       NAG   7 -12.829 -13.919   2.097
  659    H3   NAG 102           H3       NAG   7 -10.429 -15.051   3.475
  660    H4   NAG 102           H4       NAG   7 -10.340 -13.579   0.864
  661    H5   NAG 102           H5       NAG   7  -9.180 -12.602   3.683
  662    H61  NAG 102           H61      NAG   7  -7.896 -11.767   1.816
  663    H62  NAG 102           H62      NAG   7  -8.718 -10.550   2.781
  664    H81  NAG 102           H81      NAG   7 -13.433 -16.781   6.321
  665    H82  NAG 102           H82      NAG   7 -14.104 -17.176   4.749
  666    H83  NAG 102           H83      NAG   7 -14.748 -15.787   5.611
  667    HN2  NAG 102           HN2      NAG   7 -14.067 -14.924   3.293
  668    HO3  NAG 102           HO3      NAG   7 -11.772 -15.401   0.989
  669    HO4  NAG 102           HO4      NAG   7  -8.866 -15.225   1.414
  670    HO6  NAG 102           HO6      NAG   7 -10.079 -10.240   1.088
  671    H1   MUB 101           H1       NAM   6  11.501  -2.237  -4.415
  672    H2   MUB 101           H2       NAM   6  10.140  -1.855  -6.146
  673    HN2  MUB 101           HN2      NAM   6   8.217  -3.027  -5.974
  674    H81  MUB 101           H81      NAM   6   7.032  -5.397  -5.689
  675    H82  MUB 101           H82      NAM   6   7.602  -6.466  -6.970
  676    H83  MUB 101           H83      NAM   6   6.955  -4.885  -7.393
  677    H3   MUB 101           H3       NAM   6  11.091  -4.602  -7.318
  678    H9   MUB 101           H9       NAM   6  11.259  -1.464  -7.610
  679   H111  MUB 101          H111      NAM   6   9.079  -0.827  -7.322
  680   H112  MUB 101          H112      NAM   6   8.635  -1.697  -8.754
  681   H113  MUB 101          H113      NAM   6   9.254  -0.100  -8.987
  682    H4A  MUB 101           H4       NAM   6  12.965  -2.132  -6.805
  683    H5   MUB 101           H5       NAM   6  13.525  -4.898  -5.707
  684    H61  MUB 101           H61      NAM   6  15.086  -3.604  -5.032
  685    H62  MUB 101           H62      NAM   6  14.071  -3.547  -3.551
  686    HO6  MUB 101           HO6      NAM   6  14.923  -1.525  -5.149
  687    H1   NAG 102           H1       NAG   7  12.434  -4.588  -9.055
  688    H2   NAG 102           H2       NAG   7  15.522  -5.021  -9.080
  689    H3   NAG 102           H3       NAG   7  13.466  -6.304 -10.838
  690    H4   NAG 102           H4       NAG   7  14.967  -7.801  -8.724
  691    H5   NAG 102           H5       NAG   7  11.888  -6.921  -8.662
  692    H61  NAG 102           H61      NAG   7  12.214  -9.016  -7.537
  693    H62  NAG 102           H62      NAG   7  11.729  -7.699  -6.486
  694    H81  NAG 102           H81      NAG   7  13.240  -2.412 -12.918
  695    H82  NAG 102           H82      NAG   7  14.969  -2.678 -12.781
  696    H83  NAG 102           H83      NAG   7  14.195  -1.592 -11.638
  697    HN2  NAG 102           HN2      NAG   7  15.515  -3.388 -10.288
  698    HO3  NAG 102           HO3      NAG   7  15.771  -5.962 -11.370
  699    HO4  NAG 102           HO4      NAG   7  14.172  -8.827 -10.548
  700    HO6  NAG 102           HO6      NAG   7  14.088  -7.547  -6.063
  701    H1   MUB 101           H1       NAM   6 -13.535   2.425  -0.868
  702    H2   MUB 101           H2       NAM   6 -11.720   0.915  -1.265
  703    HN2  MUB 101           HN2      NAM   6  -9.779   1.992  -1.760
  704    H81  MUB 101           H81      NAM   6  -8.874   3.584  -4.884
  705    H82  MUB 101           H82      NAM   6  -8.275   2.095  -4.156
  706    H83  MUB 101           H83      NAM   6  -8.435   3.538  -3.159
  707    H3   MUB 101           H3       NAM   6 -12.112   1.498  -4.212
  708    H9   MUB 101           H9       NAM   6 -13.896   0.121  -1.968
  709   H111  MUB 101          H111      NAM   6 -11.423  -1.331  -1.341
  710   H112  MUB 101          H112      NAM   6 -12.824  -2.007  -0.581
  711   H113  MUB 101          H113      NAM   6 -12.512  -0.336  -0.268
  712    H4A  MUB 101           H4       NAM   6 -14.726   1.658  -2.477
  713    H5   MUB 101           H5       NAM   6 -13.183   3.750  -4.189
  714    H61  MUB 101           H61      NAM   6 -15.236   4.363  -4.478
  715    H62  MUB 101           H62      NAM   6 -14.785   5.438  -3.113
  716    HO6  MUB 101           HO6      NAM   6 -16.449   3.073  -3.319
  717    H1   NAG 102           H1       NAG   7 -13.571   1.019  -5.646
  718    H2   NAG 102           H2       NAG   7 -16.451   1.849  -6.570
  719    H3   NAG 102           H3       NAG   7 -14.223   0.698  -8.211
  720    H4   NAG 102           H4       NAG   7 -15.178   3.522  -8.485
  721    H5   NAG 102           H5       NAG   7 -12.436   2.528  -7.161
  722    H61  NAG 102           H61      NAG   7 -12.401   4.751  -8.325
  723    H62  NAG 102           H62      NAG   7 -11.832   4.613  -6.673
  724    H81  NAG 102           H81      NAG   7 -16.226  -2.408  -5.075
  725    H82  NAG 102           H82      NAG   7 -15.318  -3.190  -6.356
  726    H83  NAG 102           H83      NAG   7 -16.883  -2.491  -6.744
  727    HN2  NAG 102           HN2      NAG   7 -16.980  -0.015  -5.968
  728    HO3  NAG 102           HO3      NAG   7 -16.768   1.880  -8.691
  729    HO4  NAG 102           HO4      NAG   7 -14.201   2.384 -10.179
  730    HO6  NAG 102           HO6      NAG   7 -13.597   5.736  -6.056
  731    H1   MUB 101           H1       NAM   6  15.613   2.659  -3.806
  732    H2   MUB 101           H2       NAM   6  15.775   3.916  -1.813
  733    HN2  MUB 101           HN2      NAM   6  13.864   4.852  -1.045
  734    H81  MUB 101           H81      NAM   6  12.348   7.938  -2.302
  735    H82  MUB 101           H82      NAM   6  12.969   7.374  -0.751
  736    H83  MUB 101           H83      NAM   6  11.773   6.403  -1.606
  737    H3   MUB 101           H3       NAM   6  15.468   6.399  -3.605
  738    H9   MUB 101           H9       NAM   6  17.684   4.209  -2.975
  739   H111  MUB 101          H111      NAM   6  17.055   4.973  -0.254
  740   H112  MUB 101          H112      NAM   6  18.561   4.117  -0.327
  741   H113  MUB 101          H113      NAM   6  17.184   3.311  -0.993
  742    H4A  MUB 101           H4       NAM   6  17.212   4.067  -4.739
  743    H5   MUB 101           H5       NAM   6  14.689   5.250  -6.082
  744    H61  MUB 101           H61      NAM   6  15.856   4.050  -7.553
  745    H62  MUB 101           H62      NAM   6  14.615   2.845  -7.112
  746    HO6  MUB 101           HO6      NAM   6  17.312   2.628  -7.018
  747    H1   NAG 102           H1       NAG   7  16.988   7.436  -4.546
  748    H2   NAG 102           H2       NAG   7  17.679   7.536  -7.583
  749    H3   NAG 102           H3       NAG   7  17.443   9.766  -5.556
  750    H4   NAG 102           H4       NAG   7  15.555   9.331  -7.838
  751    H5   NAG 102           H5       NAG   7  14.965   8.797  -4.735
  752    H61  NAG 102           H61      NAG   7  12.986   9.483  -6.006
  753    H62  NAG 102           H62      NAG   7  12.950   7.865  -5.301
  754    H81  NAG 102           H81      NAG   7  21.343   6.935  -5.046
  755    H82  NAG 102           H82      NAG   7  21.435   8.386  -4.064
  756    H83  NAG 102           H83      NAG   7  21.650   8.534  -5.801
  757    HN2  NAG 102           HN2      NAG   7  19.615   7.213  -6.953
  758    HO3  NAG 102           HO3      NAG   7  18.822  10.011  -7.378
  759    HO4  NAG 102           HO4      NAG   7  15.863  11.368  -6.977
  760    HO6  NAG 102           HO6      NAG   7  13.222   7.058  -7.321
  Start of MODEL   11
    1    H    ZAE   1           HN1      DPH   1   8.775 -17.091   3.399
    2    HA   ZAE   1           HA       DPH   1   9.550 -15.502   1.785
    3    HB2  ZAE   1           HB1      DPH   1   9.762 -13.846   4.223
    4    HB3  ZAE   1           HB2      DPH   1  10.254 -15.527   4.407
    5    HD1  ZAE   1           HD1      DPH   1  12.526 -14.591   4.920
    6    HD2  ZAE   1           HD2      DPH   1  10.687 -14.145   1.105
    7    HE1  ZAE   1           HE1      DPH   1  14.713 -14.050   3.930
    8    HE2  ZAE   1           HE2      DPH   1  12.873 -13.605   0.111
    9    HZ   ZAE   1           HZ       DPH   1  14.888 -13.555   1.524
   10    H11  ZAE   1          HN11      DPH   1   8.228 -15.695   5.218
   11    H12  ZAE   1          HN12      DPH   1   6.838 -16.677   4.752
   12    H13  ZAE   1          HN13      DPH   1   6.916 -14.982   4.274
   13    HN2  ZAE   1           HN2      DPH   1   7.487 -16.523   2.461
   14    H    ILE   2           HN       ILE   2   7.142 -15.013   1.004
   15    HA   ILE   2           HA       ILE   2   7.004 -12.112   1.009
   16    HB   ILE   2           HB       ILE   2   6.679 -13.937  -1.021
   17   HG12  ILE   2          HG12      ILE   2   5.459 -11.175  -0.927
   18   HG13  ILE   2          HG11      ILE   2   7.152 -11.530  -1.234
   19   HG21  ILE   2          HG21      ILE   2   3.907 -13.092  -0.177
   20   HG22  ILE   2          HG22      ILE   2   4.539 -14.734  -0.274
   21   HG23  ILE   2          HG23      ILE   2   4.313 -13.790  -1.745
   22   HD11  ILE   2          HD11      ILE   2   6.184 -12.985  -3.173
   23   HD12  ILE   2          HD12      ILE   2   6.369 -11.243  -3.363
   24   HD13  ILE   2          HD13      ILE   2   4.790 -11.925  -2.983
   25    H    SER   3           HN       SER   3   5.451 -10.953   1.987
   26    HA   SER   3           HA       SER   3   2.954 -12.179   2.766
   27    HB2  SER   3           HB2      SER   3   4.744 -10.976   4.871
   28    HB3  SER   3           HB1      SER   3   3.099 -11.556   5.112
   29    HG   SER   3           HG       SER   3   4.496 -13.511   3.993
   30    H    DAR   4           HN       DAR   4   1.584 -10.558   3.963
   31    HA   DAR   4           HA       DAR   4   1.956  -7.879   2.808
   32    HB2  DAR   4           HB1      DAR   4  -0.031  -8.003   4.889
   33    HB3  DAR   4           HB2      DAR   4   1.441  -7.042   4.815
   34    HG2  DAR   4           HG1      DAR   4   2.729  -8.889   5.725
   35    HG3  DAR   4           HG2      DAR   4   1.272  -9.896   5.764
   36    HD2  DAR   4           HD1      DAR   4   0.217  -8.390   7.302
   37    HD3  DAR   4           HD2      DAR   4   1.542  -7.245   7.157
   38    HE   DAR   4           HE       DAR   4   1.666  -9.799   8.589
   39   HH11  DAR   4          HH21      DAR   4   4.331  -8.411  10.440
   40   HH12  DAR   4          HH22      DAR   4   3.233  -9.825  10.275
   41   HH21  DAR   4          HH11      DAR   4   4.066  -6.583   9.027
   42   HH22  DAR   4          HH12      DAR   4   2.888  -6.679   7.675
   43    HA   28J   5           HA       28J   5  -2.094  -8.643   1.388
   44    H22  28J   5           HB       28J   5  -1.804  -7.914  -1.289
   45    H23  28J   5          HG21      28J   5   0.327  -8.802  -2.010
   46    H24  28J   5          HG22      28J   5   0.778  -9.164  -0.344
   47    H25  28J   5          HG23      28J   5   0.593  -7.489  -0.864
   48    H26  28J   5          HG11      28J   5  -2.770 -10.044  -0.346
   49    H27  28J   5          HG12      28J   5  -1.125 -10.618  -0.094
   50    H28  28J   5          HD11      28J   5  -0.695 -10.670  -2.434
   51    H29  28J   5          HD12      28J   5  -2.215  -9.851  -2.790
   52    H30  28J   5          HD13      28J   5  -2.229 -11.493  -2.147
   53    H    ILE   6           HN       ILE   6  -3.634  -7.363  -0.184
   54    HA   ILE   6           HA       ILE   6  -3.547  -4.501   0.541
   55    HB   ILE   6           HB       ILE   6  -3.272  -4.710  -1.789
   56   HG12  ILE   6          HG12      ILE   6  -6.195  -4.100  -1.264
   57   HG13  ILE   6          HG11      ILE   6  -4.849  -2.960  -1.244
   58   HG21  ILE   6          HG21      ILE   6  -3.869  -7.036  -2.095
   59   HG22  ILE   6          HG22      ILE   6  -4.716  -6.039  -3.279
   60   HG23  ILE   6          HG23      ILE   6  -5.577  -6.657  -1.871
   61   HD11  ILE   6          HD11      ILE   6  -5.883  -4.458  -3.627
   62   HD12  ILE   6          HD12      ILE   6  -4.484  -3.384  -3.610
   63   HD13  ILE   6          HD13      ILE   6  -6.089  -2.747  -3.270
   64    H    SER   7           HN       SER   7  -5.084  -3.844   1.981
   65    HA   SER   7           HA       SER   7  -7.764  -5.108   1.928
   66    HB2  SER   7           HB2      SER   7  -7.550  -4.586   4.566
   67    HB3  SER   7           HB1      SER   7  -7.107  -6.152   3.881
   68    HG   SER   7           HG       SER   7  -5.042  -4.475   3.680
   69    H    DTH   8           HN       DTC   8  -9.454  -3.663   2.472
   70    HA   DTH   8           HA       DTC   8  -8.679  -0.841   2.294
   71    HB   DTH   8           HB       DTC   8 -10.071  -0.078   4.133
   72   HG21  DTH   8          HG21      DTC   8  -7.797  -0.645   4.696
   73   HG22  DTH   8          HG22      DTC   8  -8.227  -2.337   4.953
   74   HG23  DTH   8          HG23      DTC   8  -8.855  -1.087   6.031
   75    H    ALA   9           HN       ALA   9 -10.913  -3.383   1.871
   76    HA   ALA   9           HA       ALA   9 -12.383  -1.864   0.180
   77    HB1  ALA   9           HB1      ALA   9 -13.135  -4.112  -0.521
   78    HB2  ALA   9           HB2      ALA   9 -12.270  -4.809   0.840
   79    HB3  ALA   9           HB3      ALA   9 -11.374  -4.014  -0.456
   80    H    LEU  10           HN       LEU  10 -13.451  -4.429   2.256
   81    HA   LEU  10           HA       LEU  10 -15.839  -3.211   3.164
   82    HB2  LEU  10           HB2      LEU  10 -15.372  -5.191   4.982
   83    HB3  LEU  10           HB1      LEU  10 -16.124  -5.423   3.418
   84    HG   LEU  10           HG       LEU  10 -13.306  -5.583   3.072
   85   HD11  LEU  10          HD11      LEU  10 -13.136  -7.690   4.539
   86   HD12  LEU  10          HD12      LEU  10 -14.461  -6.961   5.448
   87   HD13  LEU  10          HD13      LEU  10 -12.931  -6.103   5.276
   88   HD21  LEU  10          HD21      LEU  10 -15.453  -7.702   3.000
   89   HD22  LEU  10          HD22      LEU  10 -13.835  -7.859   2.318
   90   HD23  LEU  10          HD23      LEU  10 -14.968  -6.684   1.651
   91    H    ILE  11           HN       ILE  11 -12.684  -3.176   4.261
   92    HA   ILE  11           HA       ILE  11 -13.419  -1.688   6.690
   93    HB   ILE  11           HB       ILE  11 -11.375  -3.932   6.815
   94   HG12  ILE  11          HG12      ILE  11 -14.159  -3.839   8.013
   95   HG13  ILE  11          HG11      ILE  11 -13.651  -4.877   6.685
   96   HG21  ILE  11          HG21      ILE  11 -12.495  -2.112   8.940
   97   HG22  ILE  11          HG22      ILE  11 -10.848  -2.116   8.308
   98   HG23  ILE  11          HG23      ILE  11 -11.439  -3.490   9.243
   99   HD11  ILE  11          HD11      ILE  11 -12.554  -4.991   9.493
  100   HD12  ILE  11          HD12      ILE  11 -12.151  -6.078   8.165
  101   HD13  ILE  11          HD13      ILE  11 -13.784  -6.067   8.830
  102    H    ZAE   1           HN1      DPH   1  -8.511   5.056   3.549
  103    HA   ZAE   1           HA       DPH   1  -9.650   3.201   2.447
  104    HB2  ZAE   1           HB1      DPH   1  -8.740   1.812   4.832
  105    HB3  ZAE   1           HB2      DPH   1  -9.009   3.521   5.164
  106    HD1  ZAE   1           HD1      DPH   1 -10.947   3.377   6.494
  107    HD2  ZAE   1           HD2      DPH   1 -10.864   1.438   2.712
  108    HE1  ZAE   1           HE1      DPH   1 -13.352   2.916   6.656
  109    HE2  ZAE   1           HE2      DPH   1 -13.282   0.999   2.889
  110    HZ   ZAE   1           HZ       DPH   1 -14.519   1.743   4.866
  111    H11  ZAE   1          HN11      DPH   1  -6.055   4.944   3.618
  112    H12  ZAE   1          HN12      DPH   1  -6.238   3.195   3.475
  113    H13  ZAE   1          HN13      DPH   1  -6.907   4.038   4.873
  114    HN2  ZAE   1           HN2      DPH   1  -7.785   4.576   2.089
  115    H    ILE   2           HN       ILE   2  -7.575   2.873   0.778
  116    HA   ILE   2           HA       ILE   2  -7.032   0.014   1.248
  117    HB   ILE   2           HB       ILE   2  -7.002   1.684  -1.243
  118   HG12  ILE   2          HG12      ILE   2  -9.021   0.364  -0.367
  119   HG13  ILE   2          HG11      ILE   2  -8.575   0.126  -2.050
  120   HG21  ILE   2          HG21      ILE   2  -5.916  -0.102  -2.489
  121   HG22  ILE   2          HG22      ILE   2  -5.717  -1.034  -1.004
  122   HG23  ILE   2          HG23      ILE   2  -4.857   0.490  -1.208
  123   HD11  ILE   2          HD11      ILE   2  -7.856  -1.705   0.221
  124   HD12  ILE   2          HD12      ILE   2  -7.477  -1.968  -1.481
  125   HD13  ILE   2          HD13      ILE   2  -9.155  -1.959  -0.941
  126    H    SER   3           HN       SER   3  -5.317  -0.594   2.116
  127    HA   SER   3           HA       SER   3  -2.762   0.564   1.408
  128    HB2  SER   3           HB2      SER   3  -3.684   0.413   4.253
  129    HB3  SER   3           HB1      SER   3  -2.023   0.725   3.740
  130    HG   SER   3           HG       SER   3  -3.692   2.403   2.479
  131    H    DAR   4           HN       DAR   4  -1.059  -0.631   1.903
  132    HA   DAR   4           HA       DAR   4  -1.683  -3.446   2.167
  133    HB2  DAR   4           HB1      DAR   4   0.028  -3.864   3.861
  134    HB3  DAR   4           HB2      DAR   4  -1.233  -2.820   4.494
  135    HG2  DAR   4           HG1      DAR   4   0.300  -0.855   4.042
  136    HG3  DAR   4           HG2      DAR   4   1.556  -2.034   3.671
  137    HD2  DAR   4           HD1      DAR   4   1.952  -1.462   5.895
  138    HD3  DAR   4           HD2      DAR   4   1.123  -3.012   5.984
  139    HE   DAR   4           HE       DAR   4  -0.671  -0.781   6.194
  140   HH11  DAR   4          HH21      DAR   4  -1.042  -1.163   9.691
  141   HH12  DAR   4          HH22      DAR   4  -1.700  -0.368   8.216
  142   HH21  DAR   4          HH11      DAR   4   0.780  -2.542   9.548
  143   HH22  DAR   4          HH12      DAR   4   1.542  -2.869   7.950
  144    HA   28J   5           HA       28J   5   2.158  -3.323   0.031
  145    H22  28J   5           HB       28J   5   1.712  -4.001  -2.315
  146    H23  28J   5          HG21      28J   5  -0.582  -4.548  -3.004
  147    H24  28J   5          HG22      28J   5  -1.070  -4.614  -1.310
  148    H25  28J   5          HG23      28J   5   0.097  -5.778  -1.940
  149    H26  28J   5          HG11      28J   5   1.258  -1.706  -1.565
  150    H27  28J   5          HG12      28J   5  -0.369  -2.179  -1.095
  151    H28  28J   5          HD11      28J   5  -0.894  -2.673  -3.436
  152    H29  28J   5          HD12      28J   5   0.722  -2.134  -3.896
  153    H30  28J   5          HD13      28J   5  -0.419  -0.993  -3.185
  154    H    ILE   6           HN       ILE   6   3.437  -4.833  -1.379
  155    HA   ILE   6           HA       ILE   6   3.234  -7.550  -0.222
  156    HB   ILE   6           HB       ILE   6   2.282  -7.706  -2.422
  157   HG12  ILE   6          HG12      ILE   6   5.003  -8.980  -2.246
  158   HG13  ILE   6          HG11      ILE   6   3.445  -9.687  -1.841
  159   HG21  ILE   6          HG21      ILE   6   3.555  -7.325  -4.514
  160   HG22  ILE   6          HG22      ILE   6   4.811  -6.521  -3.574
  161   HG23  ILE   6          HG23      ILE   6   3.182  -5.847  -3.630
  162   HD11  ILE   6          HD11      ILE   6   4.768 -10.166  -4.110
  163   HD12  ILE   6          HD12      ILE   6   3.768  -8.802  -4.610
  164   HD13  ILE   6          HD13      ILE   6   3.022 -10.249  -3.950
  165    H    SER   7           HN       SER   7   5.121  -8.526   0.460
  166    HA   SER   7           HA       SER   7   7.632  -7.455  -0.481
  167    HB2  SER   7           HB2      SER   7   7.990  -7.348   2.286
  168    HB3  SER   7           HB1      SER   7   7.995  -6.010   1.142
  169    HG   SER   7           HG       SER   7   5.499  -6.888   1.889
  170    H    DTH   8           HN       DTC   8   9.409  -8.670  -0.041
  171    HA   DTH   8           HA       DTC   8   8.790 -11.379   0.950
  172    HB   DTH   8           HB       DTC   8  11.036 -11.556   1.997
  173   HG21  DTH   8          HG21      DTC   8   9.408  -9.136   2.863
  174   HG22  DTH   8          HG22      DTC   8  10.582  -9.990   3.865
  175   HG23  DTH   8          HG23      DTC   8   9.113 -10.808   3.335
  176    H    ALA   9           HN       ALA   9  10.566  -9.453  -1.374
  177    HA   ALA   9           HA       ALA   9  11.565 -11.832  -2.782
  178    HB1  ALA   9           HB1      ALA   9  11.589 -10.604  -4.722
  179    HB2  ALA   9           HB2      ALA   9  12.051  -9.124  -3.884
  180    HB3  ALA   9           HB3      ALA   9  10.375  -9.662  -3.858
  181    H    LEU  10           HN       LEU  10  12.606  -8.551  -2.325
  182    HA   LEU  10           HA       LEU  10  15.395  -9.373  -2.256
  183    HB2  LEU  10           HB2      LEU  10  15.712  -6.849  -1.688
  184    HB3  LEU  10           HB1      LEU  10  15.246  -7.329  -3.307
  185    HG   LEU  10           HG       LEU  10  12.819  -6.889  -2.508
  186   HD11  LEU  10          HD11      LEU  10  12.636  -5.179  -0.792
  187   HD12  LEU  10          HD12      LEU  10  14.370  -5.299  -0.490
  188   HD13  LEU  10          HD13      LEU  10  13.320  -6.675  -0.154
  189   HD21  LEU  10          HD21      LEU  10  14.417  -4.379  -2.674
  190   HD22  LEU  10          HD22      LEU  10  12.867  -4.778  -3.410
  191   HD23  LEU  10          HD23      LEU  10  14.355  -5.466  -4.060
  192    H    ILE  11           HN       ILE  11  12.854  -8.521  -0.078
  193    HA   ILE  11           HA       ILE  11  14.778  -9.055   2.118
  194    HB   ILE  11           HB       ILE  11  12.744  -6.817   2.079
  195   HG12  ILE  11          HG12      ILE  11  15.688  -6.865   2.803
  196   HG13  ILE  11          HG11      ILE  11  15.050  -6.316   1.257
  197   HG21  ILE  11          HG21      ILE  11  12.467  -8.074   4.143
  198   HG22  ILE  11          HG22      ILE  11  13.219  -6.511   4.464
  199   HG23  ILE  11          HG23      ILE  11  14.200  -7.977   4.450
  200   HD11  ILE  11          HD11      ILE  11  14.620  -5.060   3.959
  201   HD12  ILE  11          HD12      ILE  11  13.800  -4.547   2.485
  202   HD13  ILE  11          HD13      ILE  11  15.554  -4.412   2.610
  203    H    ZAE   1           HN1      DPH   1   8.673  -5.234   0.062
  204    HA   ZAE   1           HA       DPH   1   9.175  -3.944  -1.915
  205    HB2  ZAE   1           HB1      DPH   1   9.689  -2.012   0.313
  206    HB3  ZAE   1           HB2      DPH   1  10.320  -3.647   0.490
  207    HD1  ZAE   1           HD1      DPH   1  12.516  -2.553   0.526
  208    HD2  ZAE   1           HD2      DPH   1  10.042  -2.455  -2.898
  209    HE1  ZAE   1           HE1      DPH   1  14.487  -2.016  -0.847
  210    HE2  ZAE   1           HE2      DPH   1  11.992  -1.899  -4.303
  211    HZ   ZAE   1           HZ       DPH   1  14.225  -1.682  -3.276
  212    H11  ZAE   1          HN11      DPH   1   6.941  -2.937   0.735
  213    H12  ZAE   1          HN12      DPH   1   8.338  -3.509   1.641
  214    H13  ZAE   1          HN13      DPH   1   6.879  -4.495   1.562
  215    HN2  ZAE   1           HN2      DPH   1   7.262  -4.846  -0.808
  216    H    ILE   2           HN       ILE   2   6.303  -3.557  -1.495
  217    HA   ILE   2           HA       ILE   2   6.151  -0.643  -1.955
  218    HB   ILE   2           HB       ILE   2   5.281  -2.806  -3.713
  219   HG12  ILE   2          HG12      ILE   2   5.479   0.203  -3.984
  220   HG13  ILE   2          HG11      ILE   2   6.699  -0.974  -4.456
  221   HG21  ILE   2          HG21      ILE   2   3.080  -2.001  -4.250
  222   HG22  ILE   2          HG22      ILE   2   3.256  -0.636  -3.146
  223   HG23  ILE   2          HG23      ILE   2   3.136  -2.274  -2.510
  224   HD11  ILE   2          HD11      ILE   2   3.962  -0.882  -5.665
  225   HD12  ILE   2          HD12      ILE   2   5.384  -1.747  -6.251
  226   HD13  ILE   2          HD13      ILE   2   5.339   0.015  -6.300
  227    H    SER   3           HN       SER   3   4.794   0.369  -0.730
  228    HA   SER   3           HA       SER   3   2.395  -0.900   0.234
  229    HB2  SER   3           HB2      SER   3   3.505   0.482   2.464
  230    HB3  SER   3           HB1      SER   3   2.977  -1.196   2.351
  231    HG   SER   3           HG       SER   3   5.444  -0.578   1.222
  232    H    DAR   4           HN       DAR   4   1.079   0.556   1.399
  233    HA   DAR   4           HA       DAR   4   1.380   3.277   0.310
  234    HB2  DAR   4           HB1      DAR   4  -0.149   2.813   2.831
  235    HB3  DAR   4           HB2      DAR   4   0.635   4.276   2.260
  236    HG2  DAR   4           HG1      DAR   4   2.829   3.281   2.774
  237    HG3  DAR   4           HG2      DAR   4   2.002   1.852   3.394
  238    HD2  DAR   4           HD1      DAR   4   0.850   3.285   5.048
  239    HD3  DAR   4           HD2      DAR   4   1.827   4.648   4.494
  240    HE   DAR   4           HE       DAR   4   2.883   2.219   5.783
  241   HH11  DAR   4          HH21      DAR   4   5.498   4.113   7.160
  242   HH12  DAR   4          HH22      DAR   4   4.713   2.489   7.086
  243   HH21  DAR   4          HH11      DAR   4   4.629   5.862   5.959
  244   HH22  DAR   4          HH12      DAR   4   3.169   5.621   4.935
  245    HA   28J   5           HA       28J   5  -2.946   2.719  -0.274
  246    H22  28J   5           HB       28J   5  -3.221   3.105  -2.838
  247    H23  28J   5          HG21      28J   5  -0.219   2.957  -2.595
  248    H24  28J   5          HG22      28J   5  -1.154   4.324  -3.199
  249    H25  28J   5          HG23      28J   5  -1.131   2.805  -4.096
  250    H26  28J   5          HG11      28J   5  -2.991   0.921  -1.451
  251    H27  28J   5          HG12      28J   5  -1.348   0.877  -2.080
  252    H28  28J   5          HD11      28J   5  -3.858   0.883  -3.738
  253    H29  28J   5          HD12      28J   5  -2.833  -0.513  -3.402
  254    H30  28J   5          HD13      28J   5  -2.208   0.832  -4.356
  255    H    ILE   6           HN       ILE   6  -4.788   3.890  -0.787
  256    HA   ILE   6           HA       ILE   6  -4.391   6.806  -0.934
  257    HB   ILE   6           HB       ILE   6  -4.713   6.437  -3.218
  258   HG12  ILE   6          HG12      ILE   6  -7.592   6.852  -2.496
  259   HG13  ILE   6          HG11      ILE   6  -6.395   8.107  -2.220
  260   HG21  ILE   6          HG21      ILE   6  -5.289   4.325  -3.724
  261   HG22  ILE   6          HG22      ILE   6  -6.851   5.087  -4.020
  262   HG23  ILE   6          HG23      ILE   6  -6.556   4.235  -2.503
  263   HD11  ILE   6          HD11      ILE   6  -7.833   8.143  -4.335
  264   HD12  ILE   6          HD12      ILE   6  -6.746   6.873  -4.908
  265   HD13  ILE   6          HD13      ILE   6  -6.104   8.459  -4.468
  266    H    SER   7           HN       SER   7  -5.783   8.009   0.229
  267    HA   SER   7           HA       SER   7  -8.324   6.883   1.125
  268    HB2  SER   7           HB2      SER   7  -7.170   7.910   3.488
  269    HB3  SER   7           HB1      SER   7  -7.578   6.221   3.146
  270    HG   SER   7           HG       SER   7  -5.257   7.063   1.975
  271    H    DTH   8           HN       DTC   8  -9.512   8.491   2.540
  272    HA   DTH   8           HA       DTC   8  -8.617  11.307   1.932
  273    HB   DTH   8           HB       DTC   8  -9.856  12.092   3.976
  274   HG21  DTH   8          HG21      DTC   8  -7.453  11.649   4.128
  275   HG22  DTH   8          HG22      DTC   8  -7.754   9.959   4.531
  276   HG23  DTH   8          HG23      DTC   8  -8.252  11.237   5.642
  277    H    ALA   9           HN       ALA   9 -11.130   8.982   1.525
  278    HA   ALA   9           HA       ALA   9 -12.855  11.011   0.452
  279    HB1  ALA   9           HB1      ALA   9 -11.915   8.511  -0.199
  280    HB2  ALA   9           HB2      ALA   9 -13.200   9.401  -1.021
  281    HB3  ALA   9           HB3      ALA   9 -13.574   8.274   0.277
  282    H    LEU  10           HN       LEU  10 -13.517   7.965   2.507
  283    HA   LEU  10           HA       LEU  10 -15.835   9.253   3.673
  284    HB2  LEU  10           HB2      LEU  10 -15.370   7.375   5.476
  285    HB3  LEU  10           HB1      LEU  10 -16.105   7.009   3.930
  286    HG   LEU  10           HG       LEU  10 -13.621   6.579   3.208
  287   HD11  LEU  10          HD11      LEU  10 -13.553   6.180   6.183
  288   HD12  LEU  10          HD12      LEU  10 -12.604   7.336   5.249
  289   HD13  LEU  10          HD13      LEU  10 -12.321   5.606   5.061
  290   HD21  LEU  10          HD21      LEU  10 -13.927   4.243   3.664
  291   HD22  LEU  10          HD22      LEU  10 -15.489   4.954   3.252
  292   HD23  LEU  10          HD23      LEU  10 -15.094   4.611   4.932
  293    H    ILE  11           HN       ILE  11 -12.526   8.946   4.447
  294    HA   ILE  11           HA       ILE  11 -12.907  10.712   6.804
  295    HB   ILE  11           HB       ILE  11 -11.087   8.298   6.697
  296   HG12  ILE  11          HG12      ILE  11 -13.071   9.131   8.823
  297   HG13  ILE  11          HG11      ILE  11 -13.478   8.037   7.505
  298   HG21  ILE  11          HG21      ILE  11 -11.102  10.519   8.735
  299   HG22  ILE  11          HG22      ILE  11  -9.851  10.251   7.521
  300   HG23  ILE  11          HG23      ILE  11 -10.115   9.058   8.793
  301   HD11  ILE  11          HD11      ILE  11 -11.395   7.571   9.631
  302   HD12  ILE  11          HD12      ILE  11 -11.753   6.477   8.295
  303   HD13  ILE  11          HD13      ILE  11 -12.977   6.799   9.523
  304    H    ZAE   1           HN1      DPH   1  -9.233  16.542  -0.191
  305    HA   ZAE   1           HA       DPH   1  -9.941  14.905  -1.798
  306    HB2  ZAE   1           HB1      DPH   1 -10.402  13.481   0.769
  307    HB3  ZAE   1           HB2      DPH   1 -10.902  15.168   0.689
  308    HD1  ZAE   1           HD1      DPH   1 -13.211  14.253   1.082
  309    HD2  ZAE   1           HD2      DPH   1 -10.966  13.413  -2.443
  310    HE1  ZAE   1           HE1      DPH   1 -15.281  13.593  -0.076
  311    HE2  ZAE   1           HE2      DPH   1 -13.033  12.754  -3.610
  312    HZ   ZAE   1           HZ       DPH   1 -15.196  12.845  -2.426
  313    H11  ZAE   1          HN11      DPH   1  -7.407  14.484   0.852
  314    H12  ZAE   1          HN12      DPH   1  -8.846  15.079   1.679
  315    H13  ZAE   1          HN13      DPH   1  -7.500  16.173   1.358
  316    HN2  ZAE   1           HN2      DPH   1  -7.910  15.894  -1.024
  317    H    ILE   2           HN       ILE   2  -7.158  14.345  -1.747
  318    HA   ILE   2           HA       ILE   2  -7.233  11.402  -1.683
  319    HB   ILE   2           HB       ILE   2  -5.923  13.286  -3.653
  320   HG12  ILE   2          HG12      ILE   2  -7.658  10.834  -4.036
  321   HG13  ILE   2          HG11      ILE   2  -8.196  12.502  -4.165
  322   HG21  ILE   2          HG21      ILE   2  -4.632  11.457  -4.592
  323   HG22  ILE   2          HG22      ILE   2  -5.246  10.361  -3.354
  324   HG23  ILE   2          HG23      ILE   2  -4.201  11.704  -2.900
  325   HD11  ILE   2          HD11      ILE   2  -6.669  12.819  -6.061
  326   HD12  ILE   2          HD12      ILE   2  -7.883  11.574  -6.350
  327   HD13  ILE   2          HD13      ILE   2  -6.226  11.115  -5.959
  328    H    SER   3           HN       SER   3  -5.701  10.398  -0.518
  329    HA   SER   3           HA       SER   3  -3.223  11.750   0.145
  330    HB2  SER   3           HB2      SER   3  -4.993  10.685   2.342
  331    HB3  SER   3           HB1      SER   3  -3.377  11.357   2.540
  332    HG   SER   3           HG       SER   3  -4.735  13.182   1.273
  333    H    DAR   4           HN       DAR   4  -1.628  10.404   0.992
  334    HA   DAR   4           HA       DAR   4  -1.995   7.594   0.220
  335    HB2  DAR   4           HB1      DAR   4  -0.304   8.607   2.495
  336    HB3  DAR   4           HB2      DAR   4  -0.580   6.926   2.048
  337    HG2  DAR   4           HG1      DAR   4  -2.908   7.129   2.608
  338    HG3  DAR   4           HG2      DAR   4  -2.688   8.843   2.982
  339    HD2  DAR   4           HD1      DAR   4  -0.882   8.011   4.613
  340    HD3  DAR   4           HD2      DAR   4  -1.670   6.440   4.437
  341    HE   DAR   4           HE       DAR   4  -2.913   8.876   5.489
  342   HH11  DAR   4          HH21      DAR   4  -5.083   6.895   7.347
  343   HH12  DAR   4          HH22      DAR   4  -4.550   8.566   6.989
  344   HH21  DAR   4          HH11      DAR   4  -4.116   5.094   6.214
  345   HH22  DAR   4          HH12      DAR   4  -2.848   5.418   4.991
  346    HA   28J   5           HA       28J   5   1.987   8.258  -1.396
  347    H22  28J   5           HB       28J   5   1.789   7.695  -3.982
  348    H23  28J   5          HG21      28J   5  -1.088   8.167  -3.191
  349    H24  28J   5          HG22      28J   5  -0.426   6.631  -3.753
  350    H25  28J   5          HG23      28J   5  -0.466   8.022  -4.836
  351    H26  28J   5          HG11      28J   5   0.722  10.074  -2.474
  352    H27  28J   5          HG12      28J   5   0.619  10.022  -4.231
  353    H28  28J   5          HD11      28J   5   2.580  11.242  -3.558
  354    H29  28J   5          HD12      28J   5   3.056   9.740  -4.348
  355    H30  28J   5          HD13      28J   5   3.138   9.875  -2.592
  356    H    ILE   6           HN       ILE   6   3.658   7.024  -2.411
  357    HA   ILE   6           HA       ILE   6   3.340   4.101  -2.174
  358    HB   ILE   6           HB       ILE   6   3.656   4.613  -4.450
  359   HG12  ILE   6          HG12      ILE   6   6.443   3.988  -3.479
  360   HG13  ILE   6          HG11      ILE   6   5.140   2.804  -3.553
  361   HG21  ILE   6          HG21      ILE   6   5.390   6.067  -5.352
  362   HG22  ILE   6          HG22      ILE   6   5.956   6.427  -3.720
  363   HG23  ILE   6          HG23      ILE   6   4.347   6.939  -4.227
  364   HD11  ILE   6          HD11      ILE   6   6.367   4.295  -5.836
  365   HD12  ILE   6          HD12      ILE   6   4.968   3.225  -5.960
  366   HD13  ILE   6          HD13      ILE   6   6.532   2.580  -5.458
  367    H    SER   7           HN       SER   7   4.554   3.128  -0.602
  368    HA   SER   7           HA       SER   7   7.113   4.415   0.161
  369    HB2  SER   7           HB2      SER   7   5.209   2.953   2.006
  370    HB3  SER   7           HB1      SER   7   6.811   3.538   2.461
  371    HG   SER   7           HG       SER   7   6.121   5.588   2.303
  372    H    DTH   8           HN       DTC   8   8.555   2.842   1.369
  373    HA   DTH   8           HA       DTC   8   8.370   0.125   0.222
  374    HB   DTH   8           HB       DTC   8   9.916  -0.645   1.959
  375   HG21  DTH   8          HG21      DTC   8   7.634  -0.633   2.652
  376   HG22  DTH   8          HG22      DTC   8   7.635   1.113   2.903
  377   HG23  DTH   8          HG23      DTC   8   8.546   0.066   3.989
  378    H    ALA   9           HN       ALA   9  10.285   3.068   0.240
  379    HA   ALA   9           HA       ALA   9  12.015   1.987  -1.863
  380    HB1  ALA   9           HB1      ALA   9  12.256   4.809  -0.937
  381    HB2  ALA   9           HB2      ALA   9  10.776   4.359  -1.784
  382    HB3  ALA   9           HB3      ALA   9  12.337   4.141  -2.566
  383    H    LEU  10           HN       LEU  10  12.292   3.992   1.048
  384    HA   LEU  10           HA       LEU  10  15.069   3.154   1.400
  385    HB2  LEU  10           HB2      LEU  10  14.672   4.844   3.424
  386    HB3  LEU  10           HB1      LEU  10  15.083   5.392   1.812
  387    HG   LEU  10           HG       LEU  10  12.371   5.369   1.656
  388   HD11  LEU  10          HD11      LEU  10  13.099   5.504   4.486
  389   HD12  LEU  10          HD12      LEU  10  11.595   5.008   3.712
  390   HD13  LEU  10          HD13      LEU  10  11.945   6.721   3.937
  391   HD21  LEU  10          HD21      LEU  10  13.520   7.825   2.852
  392   HD22  LEU  10          HD22      LEU  10  12.519   7.627   1.414
  393   HD23  LEU  10          HD23      LEU  10  14.241   7.255   1.347
  394    H    ILE  11           HN       ILE  11  11.930   3.142   2.917
  395    HA   ILE  11           HA       ILE  11  12.917   1.066   4.788
  396    HB   ILE  11           HB       ILE  11  10.714   3.086   5.276
  397   HG12  ILE  11          HG12      ILE  11  13.240   2.650   6.869
  398   HG13  ILE  11          HG11      ILE  11  13.181   3.769   5.512
  399   HG21  ILE  11          HG21      ILE  11  11.686   0.810   7.005
  400   HG22  ILE  11          HG22      ILE  11  10.126   0.900   6.187
  401   HG23  ILE  11          HG23      ILE  11  10.507   2.031   7.484
  402   HD11  ILE  11          HD11      ILE  11  11.479   3.923   7.989
  403   HD12  ILE  11          HD12      ILE  11  11.462   5.062   6.643
  404   HD13  ILE  11          HD13      ILE  11  12.904   4.904   7.647
  405    H1   ALA   1           HN       ALA   1 -10.687 -10.744   7.294
  406    HA   ALA   1           HA       ALA   1 -10.586 -10.914  10.092
  407    HB1  ALA   1           HB1      ALA   1 -10.427  -8.468   9.997
  408    HB2  ALA   1           HB2      ALA   1 -11.877  -9.038  10.856
  409    HB3  ALA   1           HB3      ALA   1 -11.998  -8.436   9.198
  410    H    DGL   2           HN       DGL   2 -13.161 -10.386  10.934
  411    HA   DGL   2           HA       DGL   2 -15.367 -10.814  10.602
  412    HB2  DGL   2           HB1      DGL   2 -15.705 -13.240   9.546
  413    HB3  DGL   2           HB2      DGL   2 -15.057 -13.052  11.173
  414    HG2  DGL   2           HG1      DGL   2 -13.169 -14.194  10.648
  415    HG3  DGL   2           HG2      DGL   2 -12.766 -13.142   9.289
  416    H    LYS   3           HN       LYS   3 -15.217 -13.852   7.864
  417    HA   LYS   3           HA       LYS   3 -15.950 -15.171   6.324
  418    HB2  LYS   3           HB2      LYS   3 -13.093 -15.900   6.429
  419    HB3  LYS   3           HB1      LYS   3 -14.146 -16.830   5.345
  420    HG2  LYS   3           HG2      LYS   3 -13.663 -13.862   5.389
  421    HG3  LYS   3           HG1      LYS   3 -13.317 -14.982   4.083
  422    HD2  LYS   3           HD2      LYS   3 -15.266 -14.527   3.062
  423    HD3  LYS   3           HD1      LYS   3 -16.025 -15.183   4.467
  424    HE2  LYS   3           HE2      LYS   3 -15.388 -12.360   4.666
  425    HE3  LYS   3           HE1      LYS   3 -16.917 -13.139   3.729
  426    HZ1  LYS   3           HZ1      LYS   3 -16.710 -12.838   6.650
  427    HZ2  LYS   3           HZ2      LYS   3 -17.913 -13.478   5.679
  428    HZ3  LYS   3           HZ3      LYS   3 -17.540 -11.883   5.547
  429    H    DAL   4           HN       DAL   4 -17.345 -15.596   7.868
  430    HA   DAL   4           HA       DAL   4 -18.595 -17.440   9.571
  431    HB1  DAL   4           HB1      DAL   4 -17.958 -19.602   7.879
  432    HB2  DAL   4           HB2      DAL   4 -18.976 -19.557   9.314
  433    HB3  DAL   4           HB3      DAL   4 -17.193 -19.279   9.466
  434    H    DAL   5           HN       DAL   5 -19.354 -15.077   8.721
  435    HA   DAL   5           HA       DAL   5 -21.349 -13.572   7.964
  436    HB1  DAL   5           HB1      DAL   5 -22.340 -15.867   8.686
  437    HB2  DAL   5           HB2      DAL   5 -22.003 -16.466   7.078
  438    HB3  DAL   5           HB3      DAL   5 -23.284 -15.247   7.313
  439    H1   ALA   1           HN       ALA   1  12.185  -2.880  -7.822
  440    HA   ALA   1           HA       ALA   1  13.197  -0.266  -7.896
  441    HB1  ALA   1           HB1      ALA   1  13.313  -0.524  -5.451
  442    HB2  ALA   1           HB2      ALA   1  14.894  -0.220  -6.209
  443    HB3  ALA   1           HB3      ALA   1  14.447  -1.851  -5.693
  444    H    DGL   2           HN       DGL   2  15.993  -1.432  -6.991
  445    HA   DGL   2           HA       DGL   2  17.647  -2.795  -7.867
  446    HB2  DGL   2           HB1      DGL   2  17.682  -2.705 -10.473
  447    HB3  DGL   2           HB2      DGL   2  18.099  -1.296  -9.506
  448    HG2  DGL   2           HG1      DGL   2  16.458  -0.014 -10.428
  449    HG3  DGL   2           HG2      DGL   2  15.186  -1.224 -10.237
  450    H    LYS   3           HN       LYS   3  16.003  -3.203 -11.868
  451    HA   LYS   3           HA       LYS   3  15.900  -3.968 -13.878
  452    HB2  LYS   3           HB2      LYS   3  14.184  -1.901 -13.852
  453    HB3  LYS   3           HB1      LYS   3  15.110  -1.557 -15.325
  454    HG2  LYS   3           HG2      LYS   3  13.920  -4.245 -14.627
  455    HG3  LYS   3           HG1      LYS   3  13.124  -3.066 -15.655
  456    HD2  LYS   3           HD2      LYS   3  14.001  -4.325 -17.364
  457    HD3  LYS   3           HD1      LYS   3  15.283  -3.216 -17.035
  458    HE2  LYS   3           HE1      LYS   3  16.323  -5.232 -17.492
  459    HE3  LYS   3           HE2      LYS   3  16.382  -4.724 -15.604
  460    HZ1  LYS   3           HZ1      LYS   3  15.020  -6.759 -15.291
  461    HZ2  LYS   3           HZ2      LYS   3  16.730  -6.886 -15.468
  462    HZ3  LYS   3           HZ3      LYS   3  15.692  -7.196 -16.766
  463    H    DAL   4           HN       DAL   4  18.144  -3.482 -12.894
  464    HA   DAL   4           HA       DAL   4  20.733  -3.524 -13.209
  465    HB1  DAL   4           HB1      DAL   4  20.715  -1.732 -15.381
  466    HB2  DAL   4           HB2      DAL   4  22.063  -2.356 -14.438
  467    HB3  DAL   4           HB3      DAL   4  20.859  -1.246 -13.664
  468    H    DAL   5           HN       DAL   5  20.291  -5.828 -13.093
  469    HA   DAL   5           HA       DAL   5  20.404  -8.337 -13.765
  470    HB1  DAL   5           HB1      DAL   5  22.313  -7.102 -14.952
  471    HB2  DAL   5           HB2      DAL   5  21.197  -6.572 -16.190
  472    HB3  DAL   5           HB3      DAL   5  21.680  -8.289 -16.115
  473    H1   ALA   1           HN       ALA   1 -18.581   5.801  -2.952
  474    HA   ALA   1           HA       ALA   1 -21.178   6.093  -3.984
  475    HB1  ALA   1           HB1      ALA   1 -21.820   6.977  -1.849
  476    HB2  ALA   1           HB2      ALA   1 -21.838   8.271  -3.069
  477    HB3  ALA   1           HB3      ALA   1 -20.500   8.143  -1.921
  478    H    DGL   2           HN       DGL   2 -21.403   8.414  -5.111
  479    HA   DGL   2           HA       DGL   2 -20.483  10.117  -6.226
  480    HB2  DGL   2           HB1      DGL   2 -18.101   8.966  -7.308
  481    HB3  DGL   2           HB2      DGL   2 -19.630   9.177  -8.123
  482    HG2  DGL   2           HG1      DGL   2 -20.092   6.944  -8.172
  483    HG3  DGL   2           HG2      DGL   2 -19.566   6.623  -6.516
  484    H    LYS   3           HN       LYS   3 -16.929   7.533  -6.837
  485    HA   LYS   3           HA       LYS   3 -14.987   6.592  -7.062
  486    HB2  LYS   3           HB2      LYS   3 -15.969   4.454  -6.915
  487    HB3  LYS   3           HB1      LYS   3 -16.332   4.426  -8.651
  488    HG2  LYS   3           HG2      LYS   3 -13.596   5.132  -8.376
  489    HG3  LYS   3           HG1      LYS   3 -13.871   3.804  -7.263
  490    HD2  LYS   3           HD2      LYS   3 -13.106   2.712  -9.239
  491    HD3  LYS   3           HD1      LYS   3 -14.815   2.510  -9.093
  492    HE2  LYS   3           HE1      LYS   3 -14.145   2.758 -11.405
  493    HE3  LYS   3           HE2      LYS   3 -15.414   4.025 -10.625
  494    HZ1  LYS   3           HZ1      LYS   3 -14.231   4.770 -12.687
  495    HZ2  LYS   3           HZ2      LYS   3 -12.893   4.814 -11.684
  496    HZ3  LYS   3           HZ3      LYS   3 -14.240   5.661 -11.264
  497    H    DAL   4           HN       DAL   4 -14.155   8.204  -7.668
  498    HA   DAL   4           HA       DAL   4 -12.434   9.706  -8.897
  499    HB1  DAL   4           HB1      DAL   4 -14.468  10.397 -10.726
  500    HB2  DAL   4           HB2      DAL   4 -12.912  11.168 -10.436
  501    HB3  DAL   4           HB3      DAL   4 -14.183  11.189  -9.144
  502    H    DAL   5           HN       DAL   5 -10.859   7.997  -8.926
  503    HA   DAL   5           HA       DAL   5  -9.065   6.355  -9.873
  504    HB1  DAL   5           HB1      DAL   5  -9.335   8.263 -11.556
  505    HB2  DAL   5           HB2      DAL   5 -10.800   7.526 -12.165
  506    HB3  DAL   5           HB3      DAL   5  -9.221   6.777 -12.526
  507    H1   ALA   1           HN       ALA   1   9.908  13.592   3.492
  508    HA   ALA   1           HA       ALA   1  10.196  15.326   5.679
  509    HB1  ALA   1           HB1      ALA   1  10.603  13.227   6.929
  510    HB2  ALA   1           HB2      ALA   1  11.958  14.378   6.988
  511    HB3  ALA   1           HB3      ALA   1  12.025  12.971   5.920
  512    H    DGL   2           HN       DGL   2  13.237  14.779   5.801
  513    HA   DGL   2           HA       DGL   2  15.138  15.148   4.524
  514    HB2  DGL   2           HB1      DGL   2  14.623  17.094   2.756
  515    HB3  DGL   2           HB2      DGL   2  14.998  17.358   4.456
  516    HG2  DGL   2           HG1      DGL   2  13.001  18.373   4.862
  517    HG3  DGL   2           HG2      DGL   2  12.033  17.097   4.118
  518    H    LYS   3           HN       LYS   3  13.279  17.433   1.519
  519    HA   LYS   3           HA       LYS   3  13.156  18.506  -0.357
  520    HB2  LYS   3           HB2      LYS   3  10.764  17.977   0.350
  521    HB3  LYS   3           HB1      LYS   3  10.558  19.737   0.426
  522    HG2  LYS   3           HG2      LYS   3  11.958  18.577  -1.939
  523    HG3  LYS   3           HG1      LYS   3  10.226  18.323  -1.830
  524    HD2  LYS   3           HD2      LYS   3   9.849  20.301  -2.834
  525    HD3  LYS   3           HD1      LYS   3  10.457  20.977  -1.366
  526    HE2  LYS   3           HE1      LYS   3  11.423  22.100  -3.246
  527    HE3  LYS   3           HE2      LYS   3  12.617  21.131  -2.037
  528    HZ1  LYS   3           HZ1      LYS   3  12.411  20.264  -4.785
  529    HZ2  LYS   3           HZ2      LYS   3  13.667  20.145  -3.610
  530    HZ3  LYS   3           HZ3      LYS   3  13.303  21.618  -4.353
  531    H    DAL   4           HN       DAL   4  14.870  19.453   1.065
  532    HA   DAL   4           HA       DAL   4  16.717  21.252   1.369
  533    HB1  DAL   4           HB1      DAL   4  14.855  23.336   1.727
  534    HB2  DAL   4           HB2      DAL   4  16.596  23.325   1.982
  535    HB3  DAL   4           HB3      DAL   4  15.524  22.321   3.042
  536    H    DAL   5           HN       DAL   5  16.958  19.775  -0.727
  537    HA   DAL   5           HA       DAL   5  17.866  19.475  -3.139
  538    HB1  DAL   5           HB1      DAL   5  18.881  21.647  -2.249
  539    HB2  DAL   5           HB2      DAL   5  17.397  22.497  -2.617
  540    HB3  DAL   5           HB3      DAL   5  18.455  21.955  -3.948
  541    H12  P1W 103           H12      TPL  10 -12.583  -7.348   0.029
  542    H11  P1W 103           H11      TPL  10 -11.120  -8.232   0.460
  543    H2   P1W 103           H2       TPL  10 -11.285  -6.028  -1.549
  544    H43  P1W 103           H42      TPL  10 -10.651  -8.124  -4.360
  545    H42  P1W 103           H41      TPL  10 -10.329  -6.493  -3.772
  546    H51  P1W 103           H51      TPL  10 -12.185  -9.415  -1.578
  547    H52  P1W 103           H52      TPL  10 -10.521  -9.983  -1.706
  548    H53  P1W 103           H53      TPL  10 -11.481  -9.746  -3.168
  549    H12  P1W 104           H12      TPL  11  -8.187  -7.029  -4.176
  550    H11  P1W 104           H11      TPL  11  -8.277  -7.865  -2.633
  551    H2   P1W 104           H2       TPL  11  -9.209  -9.771  -4.519
  552    H43  P1W 104           H42      TPL  11  -7.349 -10.770  -6.564
  553    H42  P1W 104           H41      TPL  11  -5.787 -10.837  -5.745
  554    H51  P1W 104           H51      TPL  11  -5.411  -8.629  -5.865
  555    H52  P1W 104           H52      TPL  11  -5.375  -8.555  -4.103
  556    H53  P1W 104           H53      TPL  11  -6.371  -7.420  -5.015
  557    H12  P1W 105           H12      TPL  11   9.332 -14.002  -4.305
  558    H11  P1W 105           H11      TPL  11   8.194 -12.736  -3.852
  559    H2   P1W 105           H2       TPL  11   6.658 -14.948  -4.873
  560    H43  P1W 105           H42      TPL  11   5.834 -16.152  -1.789
  561    H42  P1W 105           H41      TPL  11   5.795 -16.715  -3.461
  562    H51  P1W 105           H51      TPL  11   8.283 -15.668  -1.032
  563    H52  P1W 105           H52      TPL  11   8.965 -14.338  -1.967
  564    H53  P1W 105           H53      TPL  11   9.427 -16.000  -2.329
  565    H12  P1W 106           H12      TPL  12  -8.400 -11.810  -4.579
  566    H11  P1W 106           H11      TPL  12  -7.176 -12.837  -5.317
  567    H2   P1W 106           H2       TPL  12  -6.884 -11.236  -2.750
  568    H43  P1W 106           H43      TPL  12  -4.849 -13.945  -1.445
  569    H41  P1W 106           H41      TPL  12  -5.497 -12.342  -1.079
  570    H42  P1W 106           H42      TPL  12  -3.955 -12.500  -1.919
  571    H51  P1W 106           H51      TPL  12  -4.380 -14.538  -3.682
  572    H52  P1W 106           H52      TPL  12  -4.913 -13.554  -5.045
  573    H53  P1W 106           H53      TPL  12  -6.029 -14.701  -4.297
  574    H12  P1W 107           H12      TPL  12   7.562 -18.279  -3.052
  575    H11  P1W 107           H11      TPL  12   7.876 -17.597  -1.459
  576    H2   P1W 107           H2       TPL  12   5.737 -19.506  -2.265
  577    H43  P1W 107           H43      TPL  12   4.216 -20.278  -0.556
  578    H41  P1W 107           H41      TPL  12   3.948 -19.223   0.836
  579    H42  P1W 107           H42      TPL  12   5.194 -20.469   0.899
  580    H51  P1W 107           H51      TPL  12   7.324 -17.962   0.885
  581    H52  P1W 107           H52      TPL  12   5.747 -17.939   1.676
  582    H53  P1W 107           H53      TPL  12   6.115 -16.764   0.411
  583    H12  P1W 103           H12      TPL  10   8.946  -9.040  -6.284
  584    H11  P1W 103           H11      TPL  10   7.349  -9.069  -5.545
  585    H2   P1W 103           H2       TPL  10   9.225 -11.135  -4.480
  586    H43  P1W 103           H42      TPL  10   7.298 -13.701  -6.334
  587    H42  P1W 103           H41      TPL  10   9.051 -13.609  -6.496
  588    H51  P1W 103           H51      TPL  10   7.107 -12.183  -7.988
  589    H52  P1W 103           H52      TPL  10   8.266 -10.857  -8.083
  590    H53  P1W 103           H53      TPL  10   6.696 -10.602  -7.315
  591    H12  P1W 103           H12      TPL  10  -9.294   4.705   0.648
  592    H11  P1W 103           H11      TPL  10  -8.743   5.914  -0.514
  593    H2   P1W 103           H2       TPL  10 -11.622   5.338  -0.792
  594    H43  P1W 103           H42      TPL  10 -11.787   2.496  -2.506
  595    H42  P1W 103           H41      TPL  10 -12.358   4.148  -2.732
  596    H51  P1W 103           H51      TPL  10  -8.523   3.513  -2.641
  597    H52  P1W 103           H52      TPL  10  -9.379   2.137  -1.941
  598    H53  P1W 103           H53      TPL  10  -8.617   3.329  -0.885
  599    H12  P1W 103           H12      TPL  10   9.080   4.305   0.339
  600    H11  P1W 103           H11      TPL  10  10.805   4.492   0.064
  601    H2   P1W 103           H2       TPL  10   9.764   7.104   0.747
  602    H43  P1W 103           H42      TPL  10   8.069   8.263  -1.876
  603    H42  P1W 103           H41      TPL  10   9.498   8.730  -0.947
  604    H51  P1W 103           H51      TPL  10   8.687   4.632  -1.820
  605    H52  P1W 103           H52      TPL  10   9.728   5.440  -2.990
  606    H53  P1W 103           H53      TPL  10   8.030   5.905  -2.855
  607    H12  P1W 104           H12      TPL  11  -9.898   3.546  -4.200
  608    H11  P1W 104           H11      TPL  11 -11.246   2.519  -4.686
  609    H2   P1W 104           H2       TPL  11 -12.568   4.846  -4.783
  610    H43  P1W 104           H42      TPL  11 -10.636   7.103  -7.110
  611    H42  P1W 104           H41      TPL  11 -12.117   6.167  -7.326
  612    H51  P1W 104           H51      TPL  11  -8.821   5.279  -5.051
  613    H52  P1W 104           H52      TPL  11  -8.945   6.090  -6.613
  614    H53  P1W 104           H53      TPL  11  -9.103   4.337  -6.515
  615    H12  P1W 105           H12      TPL  11  10.835   8.741  -2.782
  616    H11  P1W 105           H11      TPL  11  10.046   7.344  -3.515
  617    H2   P1W 105           H2       TPL  11   8.725  10.095  -3.441
  618    H43  P1W 105           H42      TPL  11   8.232   9.635  -7.127
  619    H42  P1W 105           H41      TPL  11   7.404  10.289  -5.710
  620    H51  P1W 105           H51      TPL  11  10.987   8.158  -5.715
  621    H52  P1W 105           H52      TPL  11   9.903   8.315  -7.097
  622    H53  P1W 105           H53      TPL  11   9.573   7.114  -5.849
  623    H12  P1W 106           H12      TPL  12 -13.152   7.723  -6.101
  624    H11  P1W 106           H11      TPL  12 -12.265   7.115  -4.705
  625    H2   P1W 106           H2       TPL  12 -10.695   8.986  -6.377
  626    H43  P1W 106           H43      TPL  12  -9.892  10.949  -5.092
  627    H41  P1W 106           H41      TPL  12 -10.749  11.427  -3.622
  628    H42  P1W 106           H42      TPL  12 -11.395  11.866  -5.203
  629    H51  P1W 106           H51      TPL  12 -12.620  10.483  -2.901
  630    H52  P1W 106           H52      TPL  12 -12.652   8.733  -3.124
  631    H53  P1W 106           H53      TPL  12 -13.733   9.761  -4.068
  632    H12  P1W 107           H12      TPL  12   8.446  12.147  -6.740
  633    H11  P1W 107           H11      TPL  12   9.461  11.750  -5.358
  634    H2   P1W 107           H2       TPL  12  10.173  10.550  -8.028
  635    H43  P1W 107           H43      TPL  12  12.771  12.526  -8.703
  636    H41  P1W 107           H41      TPL  12  12.516  10.778  -8.617
  637    H42  P1W 107           H42      TPL  12  13.580  11.573  -7.458
  638    H51  P1W 107           H51      TPL  12  12.326  13.732  -6.371
  639    H52  P1W 107           H52      TPL  12  12.344  12.415  -5.199
  640    H53  P1W 107           H53      TPL  12  10.834  13.263  -5.550
  641    H1   MUB 101           H1       NAM   6 -11.470  -8.014   4.918
  642    H2   MUB 101           H2       NAM   6  -9.184  -8.014   4.919
  643    HN2  MUB 101           HN2      NAM   6  -8.080  -7.949   2.991
  644    H81  MUB 101           H81      NAM   6  -6.570  -9.497   1.547
  645    H82  MUB 101           H82      NAM   6  -7.886  -8.992   0.500
  646    H83  MUB 101           H83      NAM   6  -7.555 -10.709   0.679
  647    H3   MUB 101           H3       NAM   6  -9.472 -10.949   3.934
  648    H9   MUB 101           H9       NAM   6  -9.417  -9.054   6.425
  649   H111  MUB 101          H111      NAM   6  -6.348  -8.757   6.532
  650   H112  MUB 101          H112      NAM   6  -7.547  -7.591   7.004
  651   H113  MUB 101          H113      NAM   6  -7.509  -8.025   5.333
  652    H4A  MUB 101           H4       NAM   6 -11.247  -9.882   6.234
  653    H5   MUB 101           H5       NAM   6 -12.253 -11.195   3.647
  654    H61  MUB 101           H61      NAM   6 -13.987 -11.018   5.039
  655    H62  MUB 101           H62      NAM   6 -14.206  -9.485   4.069
  656    HO6  MUB 101           HO6      NAM   6 -13.992  -9.698   6.720
  657    H1   NAG 102           H1       NAG   7  -9.564 -12.557   5.107
  658    H2   NAG 102           H2       NAG   7 -11.750 -14.358   6.356
  659    H3   NAG 102           H3       NAG   7  -9.057 -15.050   5.179
  660    H4   NAG 102           H4       NAG   7 -11.715 -15.817   4.011
  661    H5   NAG 102           H5       NAG   7  -9.676 -13.623   2.898
  662    H61  NAG 102           H61      NAG   7 -12.418 -14.333   1.890
  663    H62  NAG 102           H62      NAG   7 -10.859 -14.662   1.151
  664    H81  NAG 102           H81      NAG   7  -8.939 -12.723   9.457
  665    H82  NAG 102           H82      NAG   7  -7.361 -13.342   8.987
  666    H83  NAG 102           H83      NAG   7  -8.598 -14.475   9.525
  667    HN2  NAG 102           HN2      NAG   7 -10.827 -13.927   8.142
  668    HO3  NAG 102           HO3      NAG   7  -9.995 -16.343   6.840
  669    HO4  NAG 102           HO4      NAG   7  -9.828 -17.025   3.657
  670    HO6  NAG 102           HO6      NAG   7 -10.872 -12.121   1.755
  671    H1   MUB 101           H1       NAM   6  11.946  -5.983  -4.410
  672    H2   MUB 101           H2       NAM   6  10.255  -4.572  -4.681
  673    HN2  MUB 101           HN2      NAM   6   8.235  -5.621  -4.524
  674    H81  MUB 101           H81      NAM   6   6.585  -7.305  -5.425
  675    H82  MUB 101           H82      NAM   6   6.473  -7.319  -7.182
  676    H83  MUB 101           H83      NAM   6   6.112  -5.831  -6.314
  677    H3   MUB 101           H3       NAM   6   9.996  -5.655  -7.610
  678    H9   MUB 101           H9       NAM   6  10.850  -3.250  -5.797
  679   H111  MUB 101          H111      NAM   6   7.954  -2.264  -5.678
  680   H112  MUB 101          H112      NAM   6   9.199  -1.667  -4.623
  681   H113  MUB 101          H113      NAM   6   8.889  -3.365  -4.569
  682    H4A  MUB 101           H4       NAM   6  12.470  -4.168  -6.533
  683    H5   MUB 101           H5       NAM   6  12.730  -6.898  -7.760
  684    H61  MUB 101           H61      NAM   6  14.564  -7.031  -6.848
  685    H62  MUB 101           H62      NAM   6  13.934  -6.812  -5.159
  686    HO6  MUB 101           HO6      NAM   6  14.880  -4.922  -7.182
  687    H1   NAG 102           H1       NAG   7  10.640  -4.850  -9.305
  688    H2   NAG 102           H2       NAG   7  13.247  -4.397 -10.894
  689    H3   NAG 102           H3       NAG   7  10.469  -4.835 -11.947
  690    H4   NAG 102           H4       NAG   7  12.724  -6.794 -12.242
  691    H5   NAG 102           H5       NAG   7  10.163  -7.015 -10.344
  692    H61  NAG 102           H61      NAG   7  12.479  -8.913 -10.565
  693    H62  NAG 102           H62      NAG   7  10.863  -9.140 -11.194
  694    H81  NAG 102           H81      NAG   7  11.113  -0.552 -11.450
  695    H82  NAG 102           H82      NAG   7  11.229  -0.551  -9.695
  696    H83  NAG 102           H83      NAG   7   9.640  -0.678 -10.445
  697    HN2  NAG 102           HN2      NAG   7  12.805  -2.412 -10.683
  698    HO3  NAG 102           HO3      NAG   7  12.084  -3.624 -13.107
  699    HO4  NAG 102           HO4      NAG   7  11.005  -6.674 -13.723
  700    HO6  NAG 102           HO6      NAG   7  11.362  -8.376  -8.513
  701    H1   MUB 101           H1       NAM   6 -15.371   5.984  -2.094
  702    H2   MUB 101           H2       NAM   6 -16.567   5.025  -0.486
  703    HN2  MUB 101           HN2      NAM   6 -15.511   3.637   0.908
  704    H81  MUB 101           H81      NAM   6 -14.246   0.289   0.230
  705    H82  MUB 101           H82      NAM   6 -15.336   0.991   1.421
  706    H83  MUB 101           H83      NAM   6 -13.750   1.716   1.182
  707    H3   MUB 101           H3       NAM   6 -16.553   2.398  -2.211
  708    H9   MUB 101           H9       NAM   6 -18.244   4.915  -1.416
  709   H111  MUB 101          H111      NAM   6 -19.055   3.692   1.287
  710   H112  MUB 101          H112      NAM   6 -19.082   5.388   0.906
  711   H113  MUB 101          H113      NAM   6 -17.548   4.600   0.813
  712    H4A  MUB 101           H4       NAM   6 -17.796   4.881  -3.399
  713    H5   MUB 101           H5       NAM   6 -15.471   3.716  -4.836
  714    H61  MUB 101           H61      NAM   6 -16.422   5.768  -5.466
  715    H62  MUB 101           H62      NAM   6 -14.659   6.002  -5.185
  716    HO6  MUB 101           HO6      NAM   6 -16.835   7.219  -4.053
  717    H1   NAG 102           H1       NAG   7 -17.832   1.462  -3.497
  718    H2   NAG 102           H2       NAG   7 -18.184   1.884  -6.544
  719    H3   NAG 102           H3       NAG   7 -18.215  -0.699  -4.976
  720    H4   NAG 102           H4       NAG   7 -16.081   0.090  -6.934
  721    H5   NAG 102           H5       NAG   7 -15.865  -0.017  -3.746
  722    H61  NAG 102           H61      NAG   7 -13.807   0.649  -5.813
  723    H62  NAG 102           H62      NAG   7 -13.810  -0.567  -4.541
  724    H81  NAG 102           H81      NAG   7 -22.294   0.738  -5.062
  725    H82  NAG 102           H82      NAG   7 -22.044   2.319  -4.337
  726    H83  NAG 102           H83      NAG   7 -22.151   0.910  -3.289
  727    HN2  NAG 102           HN2      NAG   7 -20.182   2.059  -6.097
  728    HO3  NAG 102           HO3      NAG   7 -19.386  -0.593  -6.900
  729    HO4  NAG 102           HO4      NAG   7 -16.608  -2.090  -6.437
  730    HO6  NAG 102           HO6      NAG   7 -14.289   1.860  -3.497
  731    H1   MUB 101           H1       NAM   6  10.876   9.328   3.979
  732    H2   MUB 101           H2       NAM   6   8.621   9.671   4.083
  733    HN2  MUB 101           HN2      NAM   6   7.354   8.276   2.906
  734    H81  MUB 101           H81      NAM   6   6.266   8.817  -0.511
  735    H82  MUB 101           H82      NAM   6   5.564   8.461   1.061
  736    H83  MUB 101           H83      NAM   6   6.778   7.369   0.402
  737    H3   MUB 101           H3       NAM   6   8.900  10.943   1.255
  738    H9   MUB 101           H9       NAM   6   8.817  11.349   4.343
  739   H111  MUB 101          H111      NAM   6   5.763  11.541   4.324
  740   H112  MUB 101          H112      NAM   6   6.679  11.389   5.795
  741   H113  MUB 101          H113      NAM   6   6.875  10.129   4.629
  742    H4A  MUB 101           H4       NAM   6  10.691  11.878   3.577
  743    H5   MUB 101           H5       NAM   6  11.822  10.897   0.952
  744    H61  MUB 101           H61      NAM   6  13.212  11.746   2.696
  745    H62  MUB 101           H62      NAM   6  13.713  10.042   2.299
  746    HO6  MUB 101           HO6      NAM   6  13.228  10.881   4.702
  747    H1   NAG 102           H1       NAG   7   9.142  12.841   0.752
  748    H2   NAG 102           H2       NAG   7  11.371  14.958   0.489
  749    H3   NAG 102           H3       NAG   7   8.807  14.615  -1.088
  750    H4   NAG 102           H4       NAG   7  11.573  14.240  -2.200
  751    H5   NAG 102           H5       NAG   7   9.400  12.001  -1.528
  752    H61  NAG 102           H61      NAG   7  12.031  11.812  -2.884
  753    H62  NAG 102           H62      NAG   7  10.479  11.053  -3.186
  754    H81  NAG 102           H81      NAG   7   6.725  16.162   2.551
  755    H82  NAG 102           H82      NAG   7   8.027  17.320   2.315
  756    H83  NAG 102           H83      NAG   7   8.209  16.070   3.542
  757    HN2  NAG 102           HN2      NAG   7  10.280  15.998   1.907
  758    HO3  NAG 102           HO3      NAG   7  11.098  16.274  -1.254
  759    HO4  NAG 102           HO4      NAG   7   9.789  14.856  -3.470
  760    HO6  NAG 102           HO6      NAG   7  11.430  10.454  -0.708
  Start of MODEL   12
    1    H    ZAE   1           HN1      DPH   1   8.774 -16.492  -0.828
    2    HA   ZAE   1           HA       DPH   1   6.694 -15.918  -1.695
    3    HB2  ZAE   1           HB1      DPH   1   8.866 -14.817  -3.488
    4    HB3  ZAE   1           HB2      DPH   1   8.273 -16.473  -3.445
    5    HD1  ZAE   1           HD1      DPH   1   5.625 -16.654  -3.822
    6    HD2  ZAE   1           HD2      DPH   1   8.093 -13.462  -5.188
    7    HE1  ZAE   1           HE1      DPH   1   3.967 -16.115  -5.561
    8    HE2  ZAE   1           HE2      DPH   1   6.437 -12.919  -6.925
    9    HZ   ZAE   1           HZ       DPH   1   4.373 -14.247  -7.114
   10    H11  ZAE   1          HN11      DPH   1   9.656 -13.731  -1.341
   11    H12  ZAE   1          HN12      DPH   1  10.198 -15.178  -2.193
   12    H13  ZAE   1          HN13      DPH   1  10.582 -14.965  -0.484
   13    HN2  ZAE   1           HN2      DPH   1   8.257 -15.148   0.061
   14    H    ILE   2           HN       ILE   2   5.241 -14.509  -0.970
   15    HA   ILE   2           HA       ILE   2   5.790 -11.647  -1.342
   16    HB   ILE   2           HB       ILE   2   4.069 -12.873  -2.976
   17   HG12  ILE   2          HG12      ILE   2   2.855 -10.728  -3.221
   18   HG13  ILE   2          HG11      ILE   2   3.536 -10.181  -1.698
   19   HG21  ILE   2          HG21      ILE   2   1.743 -12.672  -2.180
   20   HG22  ILE   2          HG22      ILE   2   2.344 -12.228  -0.582
   21   HG23  ILE   2          HG23      ILE   2   2.681 -13.828  -1.234
   22   HD11  ILE   2          HD11      ILE   2   4.742  -9.206  -3.494
   23   HD12  ILE   2          HD12      ILE   2   5.040 -10.788  -4.217
   24   HD13  ILE   2          HD13      ILE   2   5.782 -10.368  -2.673
   25    H    SER   3           HN       SER   3   4.806 -10.266   0.193
   26    HA   SER   3           HA       SER   3   3.309 -11.446   2.373
   27    HB2  SER   3           HB2      SER   3   5.821  -9.886   2.968
   28    HB3  SER   3           HB1      SER   3   4.699 -10.551   4.147
   29    HG   SER   3           HG       SER   3   5.475 -12.556   2.613
   30    H    DAR   4           HN       DAR   4   2.052 -10.053   3.470
   31    HA   DAR   4           HA       DAR   4   1.838  -7.350   2.323
   32    HB2  DAR   4           HB1      DAR   4   1.010  -8.153   5.097
   33    HB3  DAR   4           HB2      DAR   4   1.193  -6.527   4.445
   34    HG2  DAR   4           HG1      DAR   4   3.573  -8.274   4.422
   35    HG3  DAR   4           HG2      DAR   4   3.021  -7.652   5.984
   36    HD2  DAR   4           HD1      DAR   4   4.629  -6.140   4.993
   37    HD3  DAR   4           HD2      DAR   4   3.039  -5.381   5.063
   38    HE   DAR   4           HE       DAR   4   3.493  -6.675   2.576
   39   HH11  DAR   4          HH21      DAR   4   4.378  -3.677   0.943
   40   HH12  DAR   4          HH22      DAR   4   3.868  -5.385   0.709
   41   HH21  DAR   4          HH11      DAR   4   4.557  -2.798   3.049
   42   HH22  DAR   4          HH12      DAR   4   4.116  -3.801   4.478
   43    HA   28J   5           HA       28J   5  -2.407  -8.260   2.342
   44    H22  28J   5           HB       28J   5  -3.187  -8.781  -0.073
   45    H23  28J   5          HG21      28J   5  -0.191  -8.808  -0.436
   46    H24  28J   5          HG22      28J   5  -1.313  -7.686  -1.206
   47    H25  28J   5          HG23      28J   5  -1.372  -9.405  -1.601
   48    H26  28J   5          HG11      28J   5  -1.161 -10.403   1.479
   49    H27  28J   5          HG12      28J   5  -1.892 -11.014  -0.002
   50    H28  28J   5          HD11      28J   5  -3.349 -10.239   2.512
   51    H29  28J   5          HD12      28J   5  -3.067 -11.874   1.913
   52    H30  28J   5          HD13      28J   5  -4.114 -10.774   1.016
   53    H    ILE   6           HN       ILE   6  -4.327  -7.516   0.895
   54    HA   ILE   6           HA       ILE   6  -4.118  -4.608   0.467
   55    HB   ILE   6           HB       ILE   6  -6.078  -5.122  -1.163
   56   HG12  ILE   6          HG12      ILE   6  -4.947  -7.593  -2.048
   57   HG13  ILE   6          HG11      ILE   6  -5.546  -7.786  -0.395
   58   HG21  ILE   6          HG21      ILE   6  -3.248  -5.828  -1.890
   59   HG22  ILE   6          HG22      ILE   6  -3.998  -4.233  -1.965
   60   HG23  ILE   6          HG23      ILE   6  -4.541  -5.517  -3.047
   61   HD11  ILE   6          HD11      ILE   6  -7.703  -6.984  -1.111
   62   HD12  ILE   6          HD12      ILE   6  -7.185  -8.365  -2.081
   63   HD13  ILE   6          HD13      ILE   6  -7.073  -6.731  -2.739
   64    H    SER   7           HN       SER   7  -5.410  -3.363   1.817
   65    HA   SER   7           HA       SER   7  -8.107  -4.240   2.504
   66    HB2  SER   7           HB2      SER   7  -7.961  -4.129   4.860
   67    HB3  SER   7           HB1      SER   7  -6.641  -5.183   4.342
   68    HG   SER   7           HG       SER   7  -5.715  -3.790   5.721
   69    H    DTH   8           HN       DTC   8  -8.798  -2.519   4.456
   70    HA   DTH   8           HA       DTC   8  -8.239   0.202   3.405
   71    HB   DTH   8           HB       DTC   8  -8.969   1.149   5.550
   72   HG21  DTH   8          HG21      DTC   8  -6.599   0.445   5.280
   73   HG22  DTH   8          HG22      DTC   8  -7.000  -1.135   5.957
   74   HG23  DTH   8          HG23      DTC   8  -7.148   0.315   6.949
   75    H    ALA   9           HN       ALA   9 -10.505  -2.133   3.116
   76    HA   ALA   9           HA       ALA   9 -12.686  -0.477   2.415
   77    HB1  ALA   9           HB1      ALA   9 -12.479  -3.444   2.902
   78    HB2  ALA   9           HB2      ALA   9 -12.495  -2.616   1.350
   79    HB3  ALA   9           HB3      ALA   9 -13.943  -2.643   2.350
   80    H    LEU  10           HN       LEU  10 -12.147  -2.902   4.780
   81    HA   LEU  10           HA       LEU  10 -14.473  -2.062   6.347
   82    HB2  LEU  10           HB2      LEU  10 -12.431  -4.230   6.896
   83    HB3  LEU  10           HB1      LEU  10 -13.792  -3.868   7.937
   84    HG   LEU  10           HG       LEU  10 -15.366  -4.601   6.291
   85   HD11  LEU  10          HD11      LEU  10 -13.033  -4.377   4.495
   86   HD12  LEU  10          HD12      LEU  10 -14.726  -3.962   4.226
   87   HD13  LEU  10          HD13      LEU  10 -14.209  -5.645   4.151
   88   HD21  LEU  10          HD21      LEU  10 -14.463  -6.422   7.559
   89   HD22  LEU  10          HD22      LEU  10 -13.047  -6.519   6.511
   90   HD23  LEU  10          HD23      LEU  10 -14.641  -6.945   5.886
   91    H    ILE  11           HN       ILE  11 -10.985  -2.429   6.913
   92    HA   ILE  11           HA       ILE  11 -11.310  -0.337   9.013
   93    HB   ILE  11           HB       ILE  11  -9.074  -1.378   9.919
   94   HG12  ILE  11          HG12      ILE  11  -9.497  -4.016   9.653
   95   HG13  ILE  11          HG11      ILE  11 -10.104  -3.500   8.083
   96   HG21  ILE  11          HG21      ILE  11 -11.732  -2.743  10.305
   97   HG22  ILE  11          HG22      ILE  11 -11.179  -1.294  11.143
   98   HG23  ILE  11          HG23      ILE  11 -10.359  -2.833  11.406
   99   HD11  ILE  11          HD11      ILE  11  -7.346  -2.985   9.189
  100   HD12  ILE  11          HD12      ILE  11  -7.940  -2.428   7.625
  101   HD13  ILE  11          HD13      ILE  11  -7.775  -4.155   7.941
  102    H    ZAE   1           HN1      DPH   1 -10.684   3.867   0.557
  103    HA   ZAE   1           HA       DPH   1  -9.409   3.132  -1.196
  104    HB2  ZAE   1           HB1      DPH   1 -11.724   1.274  -0.669
  105    HB3  ZAE   1           HB2      DPH   1 -11.641   2.617  -1.803
  106    HD1  ZAE   1           HD1      DPH   1  -9.357   2.170  -3.368
  107    HD2  ZAE   1           HD2      DPH   1 -12.045  -0.710  -1.777
  108    HE1  ZAE   1           HE1      DPH   1  -8.737   0.608  -5.152
  109    HE2  ZAE   1           HE2      DPH   1 -11.430  -2.290  -3.583
  110    HZ   ZAE   1           HZ       DPH   1  -9.765  -1.622  -5.271
  111    H11  ZAE   1          HN11      DPH   1 -12.311   2.292   0.731
  112    H12  ZAE   1          HN12      DPH   1 -11.515   2.306   2.306
  113    H13  ZAE   1          HN13      DPH   1 -11.153   1.026   1.149
  114    HN2  ZAE   1           HN2      DPH   1  -9.495   2.948   1.344
  115    H    ILE   2           HN       ILE   2  -7.266   2.310  -1.104
  116    HA   ILE   2           HA       ILE   2  -7.157  -0.466  -0.076
  117    HB   ILE   2           HB       ILE   2  -7.009  -0.265  -2.659
  118   HG12  ILE   2          HG12      ILE   2  -5.256  -2.109  -2.656
  119   HG13  ILE   2          HG11      ILE   2  -5.066  -1.817  -0.934
  120   HG21  ILE   2          HG21      ILE   2  -4.369   0.859  -1.781
  121   HG22  ILE   2          HG22      ILE   2  -5.467   1.413  -3.049
  122   HG23  ILE   2          HG23      ILE   2  -4.515  -0.050  -3.285
  123   HD11  ILE   2          HD11      ILE   2  -7.823  -2.164  -1.521
  124   HD12  ILE   2          HD12      ILE   2  -6.762  -3.142  -0.505
  125   HD13  ILE   2          HD13      ILE   2  -6.895  -3.485  -2.230
  126    H    SER   3           HN       SER   3  -5.621  -0.970   1.242
  127    HA   SER   3           HA       SER   3  -3.258   0.710   1.521
  128    HB2  SER   3           HB2      SER   3  -4.514  -0.207   4.047
  129    HB3  SER   3           HB1      SER   3  -3.486   1.191   3.750
  130    HG   SER   3           HG       SER   3  -6.189   0.987   2.860
  131    H    DAR   4           HN       DAR   4  -1.534  -0.281   2.024
  132    HA   DAR   4           HA       DAR   4  -1.658  -3.169   2.607
  133    HB2  DAR   4           HB1      DAR   4   0.428  -1.318   3.785
  134    HB3  DAR   4           HB2      DAR   4   0.174  -3.012   4.157
  135    HG2  DAR   4           HG1      DAR   4  -1.958  -1.013   4.817
  136    HG3  DAR   4           HG2      DAR   4  -0.545  -1.209   5.857
  137    HD2  DAR   4           HD1      DAR   4  -2.338  -2.585   6.673
  138    HD3  DAR   4           HD2      DAR   4  -1.035  -3.601   6.065
  139    HE   DAR   4           HE       DAR   4  -3.241  -3.056   4.245
  140   HH11  DAR   4          HH21      DAR   4  -4.050  -6.488   4.166
  141   HH12  DAR   4          HH22      DAR   4  -4.365  -4.878   3.426
  142   HH21  DAR   4          HH11      DAR   4  -2.522  -6.700   5.866
  143   HH22  DAR   4          HH12      DAR   4  -1.624  -5.257   6.453
  144    HA   28J   5           HA       28J   5   1.659  -2.881  -0.147
  145    H22  28J   5           HB       28J   5   0.929  -3.364  -2.517
  146    H23  28J   5          HG21      28J   5  -1.473  -3.569  -2.952
  147    H24  28J   5          HG22      28J   5  -1.795  -3.649  -1.220
  148    H25  28J   5          HG23      28J   5  -0.885  -4.938  -2.010
  149    H26  28J   5          HG11      28J   5  -0.544  -1.350  -0.817
  150    H27  28J   5          HG12      28J   5  -0.705  -1.402  -2.569
  151    H28  28J   5          HD11      28J   5   2.035  -1.273  -1.451
  152    H29  28J   5          HD12      28J   5   1.035   0.180  -1.382
  153    H30  28J   5          HD13      28J   5   1.373  -0.585  -2.934
  154    H    ILE   6           HN       ILE   6   2.904  -4.283  -1.603
  155    HA   ILE   6           HA       ILE   6   2.868  -7.084  -0.689
  156    HB   ILE   6           HB       ILE   6   3.459  -7.540  -3.265
  157   HG12  ILE   6          HG12      ILE   6   1.751  -6.352  -4.661
  158   HG13  ILE   6          HG11      ILE   6   1.505  -5.240  -3.319
  159   HG21  ILE   6          HG21      ILE   6   1.828  -8.830  -2.060
  160   HG22  ILE   6          HG22      ILE   6   1.128  -8.326  -3.599
  161   HG23  ILE   6          HG23      ILE   6   0.671  -7.500  -2.108
  162   HD11  ILE   6          HD11      ILE   6   2.941  -4.275  -4.966
  163   HD12  ILE   6          HD12      ILE   6   4.029  -5.666  -4.873
  164   HD13  ILE   6          HD13      ILE   6   3.848  -4.589  -3.487
  165    H    SER   7           HN       SER   7   4.847  -7.779  -0.089
  166    HA   SER   7           HA       SER   7   7.197  -7.266  -1.684
  167    HB2  SER   7           HB2      SER   7   8.497  -6.205   0.192
  168    HB3  SER   7           HB1      SER   7   7.252  -5.156  -0.501
  169    HG   SER   7           HG       SER   7   6.518  -6.773   1.621
  170    H    DTH   8           HN       DTC   8   8.998  -8.517  -1.070
  171    HA   DTH   8           HA       DTC   8   8.479 -10.757   0.734
  172    HB   DTH   8           HB       DTC   8  10.608 -10.547   1.960
  173   HG21  DTH   8          HG21      DTC   8   8.754  -9.461   3.040
  174   HG22  DTH   8          HG22      DTC   8   8.910  -8.028   2.021
  175   HG23  DTH   8          HG23      DTC   8  10.157  -8.409   3.209
  176    H    ALA   9           HN       ALA   9  10.463  -9.487  -1.890
  177    HA   ALA   9           HA       ALA   9  11.297 -12.000  -2.600
  178    HB1  ALA   9           HB1      ALA   9  11.740 -10.981  -4.703
  179    HB2  ALA   9           HB2      ALA   9  11.683  -9.364  -4.001
  180    HB3  ALA   9           HB3      ALA   9  10.204 -10.320  -4.130
  181    H    LEU  10           HN       LEU  10  12.953  -9.108  -3.289
  182    HA   LEU  10           HA       LEU  10  15.502  -9.559  -2.213
  183    HB2  LEU  10           HB2      LEU  10  15.526  -6.919  -2.261
  184    HB3  LEU  10           HB1      LEU  10  15.452  -7.840  -3.749
  185    HG   LEU  10           HG       LEU  10  12.852  -7.513  -3.458
  186   HD11  LEU  10          HD11      LEU  10  12.255  -5.545  -2.322
  187   HD12  LEU  10          HD12      LEU  10  13.942  -5.097  -2.062
  188   HD13  LEU  10          HD13      LEU  10  13.260  -6.493  -1.229
  189   HD21  LEU  10          HD21      LEU  10  12.964  -5.412  -4.754
  190   HD22  LEU  10          HD22      LEU  10  14.076  -6.631  -5.378
  191   HD23  LEU  10          HD23      LEU  10  14.681  -5.300  -4.398
  192    H    ILE  11           HN       ILE  11  12.681  -8.040  -0.712
  193    HA   ILE  11           HA       ILE  11  14.213  -7.739   1.818
  194    HB   ILE  11           HB       ILE  11  12.991  -5.687   2.463
  195   HG12  ILE  11          HG12      ILE  11  12.024  -4.578   0.097
  196   HG13  ILE  11          HG11      ILE  11  11.428  -6.232   0.046
  197   HG21  ILE  11          HG21      ILE  11  14.476  -5.498  -0.152
  198   HG22  ILE  11          HG22      ILE  11  15.117  -5.275   1.477
  199   HG23  ILE  11          HG23      ILE  11  13.999  -4.092   0.799
  200   HD11  ILE  11          HD11      ILE  11  11.019  -4.389   2.402
  201   HD12  ILE  11          HD12      ILE  11  10.237  -5.940   2.101
  202   HD13  ILE  11          HD13      ILE  11   9.869  -4.554   1.074
  203    H    ZAE   1           HN1      DPH   1   9.358  -5.170  -1.841
  204    HA   ZAE   1           HA       DPH   1   7.536  -4.430  -3.039
  205    HB2  ZAE   1           HB1      DPH   1  10.124  -3.120  -3.838
  206    HB3  ZAE   1           HB2      DPH   1   9.402  -4.591  -4.480
  207    HD1  ZAE   1           HD1      DPH   1   6.901  -4.122  -5.371
  208    HD2  ZAE   1           HD2      DPH   1  10.101  -1.330  -5.228
  209    HE1  ZAE   1           HE1      DPH   1   5.836  -2.825  -7.162
  210    HE2  ZAE   1           HE2      DPH   1   9.041  -0.012  -7.018
  211    HZ   ZAE   1           HZ       DPH   1   6.904  -0.763  -7.986
  212    H11  ZAE   1          HN11      DPH   1  10.213  -2.412  -1.970
  213    H12  ZAE   1          HN12      DPH   1  11.113  -3.896  -2.295
  214    H13  ZAE   1          HN13      DPH   1  10.744  -3.440  -0.633
  215    HN2  ZAE   1           HN2      DPH   1   8.577  -4.051  -0.837
  216    H    ILE   2           HN       ILE   2   5.878  -3.162  -2.617
  217    HA   ILE   2           HA       ILE   2   6.414  -0.365  -1.924
  218    HB   ILE   2           HB       ILE   2   5.682  -0.646  -4.344
  219   HG12  ILE   2          HG12      ILE   2   3.923   1.177  -4.150
  220   HG13  ILE   2          HG11      ILE   2   4.077   1.007  -2.406
  221   HG21  ILE   2          HG21      ILE   2   4.088  -2.380  -4.271
  222   HG22  ILE   2          HG22      ILE   2   3.160  -0.914  -4.603
  223   HG23  ILE   2          HG23      ILE   2   3.183  -1.593  -2.978
  224   HD11  ILE   2          HD11      ILE   2   5.410   2.853  -3.287
  225   HD12  ILE   2          HD12      ILE   2   6.334   1.711  -4.264
  226   HD13  ILE   2          HD13      ILE   2   6.401   1.626  -2.505
  227    H    SER   3           HN       SER   3   5.009   0.537  -0.470
  228    HA   SER   3           HA       SER   3   2.779  -1.039   0.502
  229    HB2  SER   3           HB2      SER   3   4.665   0.091   2.516
  230    HB3  SER   3           HB1      SER   3   3.376  -1.089   2.747
  231    HG   SER   3           HG       SER   3   5.722  -1.576   1.225
  232    H    DAR   4           HN       DAR   4   1.241   0.038   1.459
  233    HA   DAR   4           HA       DAR   4   1.424   2.954   1.146
  234    HB2  DAR   4           HB1      DAR   4  -0.198   1.700   3.338
  235    HB3  DAR   4           HB2      DAR   4   0.322   3.371   3.177
  236    HG2  DAR   4           HG1      DAR   4   2.556   1.508   3.360
  237    HG3  DAR   4           HG2      DAR   4   1.487   1.461   4.765
  238    HD2  DAR   4           HD1      DAR   4   2.974   3.112   5.358
  239    HD3  DAR   4           HD2      DAR   4   1.650   4.046   4.664
  240    HE   DAR   4           HE       DAR   4   3.845   3.316   2.896
  241   HH11  DAR   4          HH21      DAR   4   4.645   6.705   2.414
  242   HH12  DAR   4          HH22      DAR   4   4.985   5.015   1.899
  243   HH21  DAR   4          HH11      DAR   4   3.083   7.123   4.048
  244   HH22  DAR   4          HH12      DAR   4   2.187   5.757   4.803
  245    HA   28J   5           HA       28J   5  -2.549   2.259  -0.483
  246    H22  28J   5           HB       28J   5  -2.386   2.934  -3.004
  247    H23  28J   5          HG21      28J   5   0.519   2.630  -2.282
  248    H24  28J   5          HG22      28J   5  -0.272   4.065  -2.940
  249    H25  28J   5          HG23      28J   5  -0.119   2.610  -3.926
  250    H26  28J   5          HG11      28J   5  -2.516   0.592  -1.938
  251    H27  28J   5          HG12      28J   5  -0.775   0.515  -2.180
  252    H28  28J   5          HD11      28J   5  -2.777   0.944  -4.387
  253    H29  28J   5          HD12      28J   5  -2.062  -0.610  -3.959
  254    H30  28J   5          HD13      28J   5  -1.040   0.694  -4.562
  255    H    ILE   6           HN       ILE   6  -4.191   3.556  -1.445
  256    HA   ILE   6           HA       ILE   6  -3.806   6.406  -0.950
  257    HB   ILE   6           HB       ILE   6  -4.874   6.854  -3.292
  258   HG12  ILE   6          HG12      ILE   6  -3.134   4.714  -4.358
  259   HG13  ILE   6          HG11      ILE   6  -4.696   4.190  -3.748
  260   HG21  ILE   6          HG21      ILE   6  -2.819   7.853  -2.693
  261   HG22  ILE   6          HG22      ILE   6  -2.653   7.204  -4.326
  262   HG23  ILE   6          HG23      ILE   6  -1.928   6.353  -2.958
  263   HD11  ILE   6          HD11      ILE   6  -4.187   6.204  -5.929
  264   HD12  ILE   6          HD12      ILE   6  -5.780   5.735  -5.323
  265   HD13  ILE   6          HD13      ILE   6  -4.750   4.543  -6.127
  266    H    SER   7           HN       SER   7  -5.595   7.370  -0.210
  267    HA   SER   7           HA       SER   7  -8.223   6.372  -0.845
  268    HB2  SER   7           HB2      SER   7  -8.727   5.965   1.629
  269    HB3  SER   7           HB1      SER   7  -7.785   4.710   0.808
  270    HG   SER   7           HG       SER   7  -6.427   6.819   2.062
  271    H    DTH   8           HN       DTC   8  -9.838   7.757  -0.134
  272    HA   DTH   8           HA       DTC   8  -8.986  10.400   0.761
  273    HB   DTH   8           HB       DTC   8 -10.511  10.567   2.699
  274   HG21  DTH   8          HG21      DTC   8  -8.592   8.242   2.947
  275   HG22  DTH   8          HG22      DTC   8  -9.258   9.171   4.294
  276   HG23  DTH   8          HG23      DTC   8  -8.192   9.948   3.121
  277    H    ALA   9           HN       ALA   9 -11.340   8.352  -0.696
  278    HA   ALA   9           HA       ALA   9 -12.906  10.555  -1.551
  279    HB1  ALA   9           HB1      ALA   9 -12.492   7.997  -2.404
  280    HB2  ALA   9           HB2      ALA   9 -13.711   9.119  -3.000
  281    HB3  ALA   9           HB3      ALA   9 -14.133   7.947  -1.751
  282    H    LEU  10           HN       LEU  10 -14.266   7.612  -0.055
  283    HA   LEU  10           HA       LEU  10 -16.193   9.220   1.430
  284    HB2  LEU  10           HB2      LEU  10 -15.814   6.275   1.944
  285    HB3  LEU  10           HB1      LEU  10 -17.280   7.234   2.030
  286    HG   LEU  10           HG       LEU  10 -17.715   6.071   0.113
  287   HD11  LEU  10          HD11      LEU  10 -17.753   8.442  -0.378
  288   HD12  LEU  10          HD12      LEU  10 -17.271   7.518  -1.803
  289   HD13  LEU  10          HD13      LEU  10 -16.058   8.385  -0.860
  290   HD21  LEU  10          HD21      LEU  10 -15.000   6.273  -1.088
  291   HD22  LEU  10          HD22      LEU  10 -16.212   5.002  -1.239
  292   HD23  LEU  10          HD23      LEU  10 -15.243   5.126   0.228
  293    H    ILE  11           HN       ILE  11 -13.446   7.173   2.147
  294    HA   ILE  11           HA       ILE  11 -13.557   8.135   4.948
  295    HB   ILE  11           HB       ILE  11 -11.743   6.452   5.411
  296   HG12  ILE  11          HG12      ILE  11 -12.461   5.074   2.852
  297   HG13  ILE  11          HG11      ILE  11 -11.239   6.342   2.805
  298   HG21  ILE  11          HG21      ILE  11 -14.331   5.397   4.275
  299   HG22  ILE  11          HG22      ILE  11 -14.064   5.960   5.926
  300   HG23  ILE  11          HG23      ILE  11 -13.251   4.505   5.348
  301   HD11  ILE  11          HD11      ILE  11 -11.142   3.852   4.500
  302   HD12  ILE  11          HD12      ILE  11  -9.911   5.115   4.449
  303   HD13  ILE  11          HD13      ILE  11 -10.233   4.139   3.016
  304    H    ZAE   1           HN1      DPH   1  -9.384  15.748   1.049
  305    HA   ZAE   1           HA       DPH   1  -7.523  15.343  -0.263
  306    HB2  ZAE   1           HB1      DPH   1  -9.957  14.344  -1.755
  307    HB3  ZAE   1           HB2      DPH   1  -9.425  16.017  -1.615
  308    HD1  ZAE   1           HD1      DPH   1  -6.834  16.308  -2.352
  309    HD2  ZAE   1           HD2      DPH   1  -9.514  13.306  -3.767
  310    HE1  ZAE   1           HE1      DPH   1  -5.490  16.052  -4.384
  311    HE2  ZAE   1           HE2      DPH   1  -8.158  13.054  -5.812
  312    HZ   ZAE   1           HZ       DPH   1  -6.141  14.431  -6.118
  313    H11  ZAE   1          HN11      DPH   1 -10.383  13.097   0.259
  314    H12  ZAE   1          HN12      DPH   1 -11.081  14.667  -0.147
  315    H13  ZAE   1          HN13      DPH   1 -11.093  14.104   1.525
  316    HN2  ZAE   1           HN2      DPH   1  -8.738  14.302   1.643
  317    H    ILE   2           HN       ILE   2  -5.922  13.932  -0.065
  318    HA   ILE   2           HA       ILE   2  -6.479  11.105  -0.654
  319    HB   ILE   2           HB       ILE   2  -5.174  12.438  -2.455
  320   HG12  ILE   2          HG12      ILE   2  -3.558  10.521  -2.813
  321   HG13  ILE   2          HG11      ILE   2  -4.102   9.872  -1.269
  322   HG21  ILE   2          HG21      ILE   2  -2.762  12.672  -2.089
  323   HG22  ILE   2          HG22      ILE   2  -2.964  12.132  -0.421
  324   HG23  ILE   2          HG23      ILE   2  -3.692  13.646  -0.951
  325   HD11  ILE   2          HD11      ILE   2  -5.192   8.884  -3.279
  326   HD12  ILE   2          HD12      ILE   2  -5.970  10.443  -3.553
  327   HD13  ILE   2          HD13      ILE   2  -6.297   9.538  -2.075
  328    H    SER   3           HN       SER   3  -5.270   9.587   0.548
  329    HA   SER   3           HA       SER   3  -3.482  10.572   2.617
  330    HB2  SER   3           HB2      SER   3  -5.878   8.876   3.300
  331    HB3  SER   3           HB1      SER   3  -4.596   9.354   4.412
  332    HG   SER   3           HG       SER   3  -5.544  11.560   3.289
  333    H    DAR   4           HN       DAR   4  -2.034   9.148   3.341
  334    HA   DAR   4           HA       DAR   4  -1.943   6.572   1.934
  335    HB2  DAR   4           HB1      DAR   4  -0.724   7.173   4.622
  336    HB3  DAR   4           HB2      DAR   4  -0.896   5.604   3.840
  337    HG2  DAR   4           HG1      DAR   4  -3.388   7.089   4.243
  338    HG3  DAR   4           HG2      DAR   4  -2.571   6.535   5.713
  339    HD2  DAR   4           HD1      DAR   4  -3.635   4.614   5.289
  340    HD3  DAR   4           HD2      DAR   4  -2.326   4.365   4.135
  341    HE   DAR   4           HE       DAR   4  -4.853   5.605   3.323
  342   HH11  DAR   4          HH21      DAR   4  -4.965   3.298   0.689
  343   HH12  DAR   4          HH22      DAR   4  -5.790   4.692   1.461
  344   HH21  DAR   4          HH11      DAR   4  -2.947   2.509   1.568
  345   HH22  DAR   4          HH12      DAR   4  -2.239   3.335   2.993
  346    HA   28J   5           HA       28J   5   2.188   7.654   1.260
  347    H22  28J   5           HB       28J   5   2.467   8.333  -1.227
  348    H23  28J   5          HG21      28J   5  -0.544   8.255  -1.028
  349    H24  28J   5          HG22      28J   5   0.459   7.255  -2.078
  350    H25  28J   5          HG23      28J   5   0.374   8.996  -2.338
  351    H26  28J   5          HG11      28J   5   0.657   9.849   0.677
  352    H27  28J   5          HG12      28J   5   1.298  10.543  -0.809
  353    H28  28J   5          HD11      28J   5   2.659  11.276   1.000
  354    H29  28J   5          HD12      28J   5   3.591  10.116   0.054
  355    H30  28J   5          HD13      28J   5   2.869   9.625   1.585
  356    H    ILE   6           HN       ILE   6   3.890   6.946  -0.320
  357    HA   ILE   6           HA       ILE   6   3.569   4.085  -0.935
  358    HB   ILE   6           HB       ILE   6   5.298   4.777  -2.817
  359   HG12  ILE   6          HG12      ILE   6   4.276   6.973  -3.841
  360   HG13  ILE   6          HG11      ILE   6   4.034   7.387  -2.136
  361   HG21  ILE   6          HG21      ILE   6   2.340   5.186  -3.136
  362   HG22  ILE   6          HG22      ILE   6   3.221   3.667  -3.309
  363   HG23  ILE   6          HG23      ILE   6   3.495   4.984  -4.451
  364   HD11  ILE   6          HD11      ILE   6   6.601   6.637  -3.488
  365   HD12  ILE   6          HD12      ILE   6   6.416   6.981  -1.767
  366   HD13  ILE   6          HD13      ILE   6   6.108   8.245  -2.960
  367    H    SER   7           HN       SER   7   5.154   2.743   0.005
  368    HA   SER   7           HA       SER   7   7.857   3.778   0.387
  369    HB2  SER   7           HB2      SER   7   7.974   2.934   2.773
  370    HB3  SER   7           HB1      SER   7   7.092   4.444   2.531
  371    HG   SER   7           HG       SER   7   6.124   2.671   3.866
  372    H    DTH   8           HN       DTC   8   9.092   1.935   1.798
  373    HA   DTH   8           HA       DTC   8   8.556  -0.641   0.419
  374    HB   DTH   8           HB       DTC   8   9.593  -1.871   2.263
  375   HG21  DTH   8          HG21      DTC   8   7.199  -1.375   2.446
  376   HG22  DTH   8          HG22      DTC   8   7.553   0.178   3.207
  377   HG23  DTH   8          HG23      DTC   8   7.952  -1.326   4.038
  378    H    ALA   9           HN       ALA   9  10.520   1.965   0.438
  379    HA   ALA   9           HA       ALA   9  12.715   0.795  -0.928
  380    HB1  ALA   9           HB1      ALA   9  11.857   3.159  -1.237
  381    HB2  ALA   9           HB2      ALA   9  13.595   3.017  -1.018
  382    HB3  ALA   9           HB3      ALA   9  12.577   3.530   0.322
  383    H    LEU  10           HN       LEU  10  12.270   2.595   1.946
  384    HA   LEU  10           HA       LEU  10  14.884   1.792   2.997
  385    HB2  LEU  10           HB2      LEU  10  12.753   3.575   4.194
  386    HB3  LEU  10           HB1      LEU  10  14.280   3.205   4.967
  387    HG   LEU  10           HG       LEU  10  15.520   4.414   3.342
  388   HD11  LEU  10          HD11      LEU  10  14.529   5.402   1.369
  389   HD12  LEU  10          HD12      LEU  10  12.961   4.719   1.800
  390   HD13  LEU  10          HD13      LEU  10  14.300   3.653   1.379
  391   HD21  LEU  10          HD21      LEU  10  14.693   6.648   3.554
  392   HD22  LEU  10          HD22      LEU  10  14.315   5.788   5.047
  393   HD23  LEU  10          HD23      LEU  10  13.054   6.069   3.846
  394    H    ILE  11           HN       ILE  11  11.478   1.589   3.973
  395    HA   ILE  11           HA       ILE  11  12.295  -0.767   5.605
  396    HB   ILE  11           HB       ILE  11  10.105  -0.128   6.958
  397   HG12  ILE  11          HG12      ILE  11  10.263   2.475   7.269
  398   HG13  ILE  11          HG11      ILE  11  10.927   2.454   5.640
  399   HG21  ILE  11          HG21      ILE  11  12.749   1.267   7.335
  400   HG22  ILE  11          HG22      ILE  11  12.335  -0.353   7.900
  401   HG23  ILE  11          HG23      ILE  11  11.514   1.054   8.576
  402   HD11  ILE  11          HD11      ILE  11   8.219   1.421   6.470
  403   HD12  ILE  11          HD12      ILE  11   8.876   1.372   4.835
  404   HD13  ILE  11          HD13      ILE  11   8.547   2.923   5.608
  405    H1   ALA   1           HN       ALA   1 -14.372  -7.783  -2.961
  406    HA   ALA   1           HA       ALA   1 -14.141  -6.657  -5.526
  407    HB1  ALA   1           HB1      ALA   1 -12.454  -5.246  -4.353
  408    HB2  ALA   1           HB2      ALA   1 -11.853  -6.135  -5.774
  409    HB3  ALA   1           HB3      ALA   1 -11.506  -6.713  -4.140
  410    H    DGL   2           HN       DGL   2 -11.432  -7.843  -6.053
  411    HA   DGL   2           HA       DGL   2 -10.360  -9.904  -6.290
  412    HB2  DGL   2           HB1      DGL   2 -12.008 -11.745  -7.197
  413    HB3  DGL   2           HB2      DGL   2 -11.772 -10.308  -8.186
  414    HG2  DGL   2           HG1      DGL   2 -13.962  -9.760  -8.160
  415    HG3  DGL   2           HG2      DGL   2 -14.126  -9.925  -6.408
  416    H    LYS   3           HN       LYS   3 -13.545 -12.642  -6.197
  417    HA   LYS   3           HA       LYS   3 -14.389 -14.634  -6.223
  418    HB2  LYS   3           HB2      LYS   3 -16.414 -12.930  -5.719
  419    HB3  LYS   3           HB1      LYS   3 -17.133 -13.962  -6.969
  420    HG2  LYS   3           HG2      LYS   3 -15.507 -15.287  -4.863
  421    HG3  LYS   3           HG1      LYS   3 -17.050 -14.620  -4.352
  422    HD2  LYS   3           HD2      LYS   3 -17.560 -16.889  -4.805
  423    HD3  LYS   3           HD1      LYS   3 -18.122 -15.911  -6.120
  424    HE2  LYS   3           HE2      LYS   3 -17.503 -17.657  -7.318
  425    HE3  LYS   3           HE1      LYS   3 -15.957 -16.462  -7.239
  426    HZ1  LYS   3           HZ1      LYS   3 -15.942 -19.193  -6.168
  427    HZ2  LYS   3           HZ2      LYS   3 -14.745 -18.067  -6.330
  428    HZ3  LYS   3           HZ3      LYS   3 -15.460 -18.689  -7.700
  429    H    DAL   4           HN       DAL   4 -12.913 -14.307  -8.032
  430    HA   DAL   4           HA       DAL   4 -11.824 -15.134 -10.286
  431    HB1  DAL   4           HB1      DAL   4 -14.280 -15.375 -11.670
  432    HB2  DAL   4           HB2      DAL   4 -12.624 -15.481 -12.260
  433    HB3  DAL   4           HB3      DAL   4 -13.264 -13.907 -11.637
  434    H    DAL   5           HN       DAL   5 -11.310 -16.240  -7.994
  435    HA   DAL   5           HA       DAL   5 -10.349 -18.357  -6.785
  436    HB1  DAL   5           HB1      DAL   5 -11.537 -19.591  -9.277
  437    HB2  DAL   5           HB2      DAL   5 -10.060 -20.011  -8.470
  438    HB3  DAL   5           HB3      DAL   5 -10.082 -18.615  -9.576
  439    H1   ALA   1           HN       ALA   1  13.149  -8.307 -11.871
  440    HA   ALA   1           HA       ALA   1  14.252 -10.598 -13.080
  441    HB1  ALA   1           HB1      ALA   1  13.261 -11.695 -11.073
  442    HB2  ALA   1           HB2      ALA   1  12.708 -12.332 -12.642
  443    HB3  ALA   1           HB3      ALA   1  11.685 -11.234 -11.707
  444    H    DGL   2           HN       DGL   2  11.481 -11.696 -13.763
  445    HA   DGL   2           HA       DGL   2   9.633 -11.216 -15.096
  446    HB2  DGL   2           HB1      DGL   2  10.242  -9.911 -17.250
  447    HB3  DGL   2           HB2      DGL   2  11.160 -11.388 -16.981
  448    HG2  DGL   2           HG1      DGL   2  13.151 -10.322 -16.996
  449    HG3  DGL   2           HG2      DGL   2  12.642  -9.058 -15.871
  450    H    LYS   3           HN       LYS   3  10.479  -8.226 -17.691
  451    HA   LYS   3           HA       LYS   3  10.025  -6.798 -19.251
  452    HB2  LYS   3           HB2      LYS   3  12.811  -5.908 -18.614
  453    HB3  LYS   3           HB1      LYS   3  11.725  -4.963 -19.651
  454    HG2  LYS   3           HG2      LYS   3  11.150  -5.890 -16.836
  455    HG3  LYS   3           HG1      LYS   3  11.588  -4.252 -17.295
  456    HD2  LYS   3           HD2      LYS   3   9.251  -4.106 -16.951
  457    HD3  LYS   3           HD1      LYS   3   9.564  -4.161 -18.654
  458    HE2  LYS   3           HE1      LYS   3   7.634  -5.313 -18.550
  459    HE3  LYS   3           HE2      LYS   3   9.138  -6.561 -18.618
  460    HZ1  LYS   3           HZ1      LYS   3   7.106  -6.471 -16.490
  461    HZ2  LYS   3           HZ2      LYS   3   8.491  -7.491 -16.630
  462    HZ3  LYS   3           HZ3      LYS   3   7.269  -7.534 -17.785
  463    H    DAL   4           HN       DAL   4   9.385  -7.978 -20.612
  464    HA   DAL   4           HA       DAL   4  10.248  -9.459 -23.114
  465    HB1  DAL   4           HB1      DAL   4  10.138  -6.849 -24.200
  466    HB2  DAL   4           HB2      DAL   4  10.256  -8.409 -25.008
  467    HB3  DAL   4           HB3      DAL   4  11.624  -7.814 -23.982
  468    H    DAL   5           HN       DAL   5   8.701  -9.968 -20.875
  469    HA   DAL   5           HA       DAL   5   6.479 -11.228 -20.231
  470    HB1  DAL   5           HB1      DAL   5   5.672  -9.980 -22.869
  471    HB2  DAL   5           HB2      DAL   5   5.179 -11.507 -22.209
  472    HB3  DAL   5           HB3      DAL   5   6.758 -11.378 -23.025
  473    H1   ALA   1           HN       ALA   1 -18.433   5.169  -3.952
  474    HA   ALA   1           HA       ALA   1 -21.092   5.162  -3.020
  475    HB1  ALA   1           HB1      ALA   1 -20.076   5.537  -0.831
  476    HB2  ALA   1           HB2      ALA   1 -21.082   6.906  -1.360
  477    HB3  ALA   1           HB3      ALA   1 -19.321   6.992  -1.468
  478    H    DGL   2           HN       DGL   2 -22.287   6.872  -3.893
  479    HA   DGL   2           HA       DGL   2 -22.650   8.935  -4.930
  480    HB2  DGL   2           HB1      DGL   2 -21.104   9.174  -7.099
  481    HB3  DGL   2           HB2      DGL   2 -22.376   7.969  -7.067
  482    HG2  DGL   2           HG1      DGL   2 -20.937   6.275  -7.441
  483    HG3  DGL   2           HG2      DGL   2 -19.863   6.738  -6.116
  484    H    LYS   3           HN       LYS   3 -18.398   8.576  -6.685
  485    HA   LYS   3           HA       LYS   3 -16.664   9.312  -7.752
  486    HB2  LYS   3           HB2      LYS   3 -16.683   6.754  -8.371
  487    HB3  LYS   3           HB1      LYS   3 -16.753   7.414 -10.016
  488    HG2  LYS   3           HG2      LYS   3 -14.929   8.984  -8.475
  489    HG3  LYS   3           HG1      LYS   3 -14.538   7.295  -8.197
  490    HD2  LYS   3           HD2      LYS   3 -13.115   7.919  -9.995
  491    HD3  LYS   3           HD1      LYS   3 -14.435   6.973 -10.601
  492    HE2  LYS   3           HE1      LYS   3 -13.634   8.924 -12.029
  493    HE3  LYS   3           HE2      LYS   3 -15.501   8.445 -11.697
  494    HZ1  LYS   3           HZ1      LYS   3 -14.777  10.901 -12.317
  495    HZ2  LYS   3           HZ2      LYS   3 -14.591  10.894 -10.676
  496    HZ3  LYS   3           HZ3      LYS   3 -16.025  10.353 -11.331
  497    H    DAL   4           HN       DAL   4 -18.594  10.695  -7.809
  498    HA   DAL   4           HA       DAL   4 -19.478  13.047  -8.550
  499    HB1  DAL   4           HB1      DAL   4 -21.320  12.070  -9.140
  500    HB2  DAL   4           HB2      DAL   4 -20.722  11.757 -10.767
  501    HB3  DAL   4           HB3      DAL   4 -20.895  13.458 -10.178
  502    H    DAL   5           HN       DAL   5 -16.953  13.146  -7.986
  503    HA   DAL   5           HA       DAL   5 -14.726  14.402  -8.261
  504    HB1  DAL   5           HB1      DAL   5 -16.417  15.145 -10.662
  505    HB2  DAL   5           HB2      DAL   5 -14.975  15.992 -10.201
  506    HB3  DAL   5           HB3      DAL   5 -16.451  16.181  -9.220
  507    H1   ALA   1           HN       ALA   1  15.657  11.990  -0.882
  508    HA   ALA   1           HA       ALA   1  15.002  14.148  -2.558
  509    HB1  ALA   1           HB1      ALA   1  12.802  13.157  -2.679
  510    HB2  ALA   1           HB2      ALA   1  12.754  14.723  -1.832
  511    HB3  ALA   1           HB3      ALA   1  12.688  13.207  -0.924
  512    H    DGL   2           HN       DGL   2  16.871  14.702  -1.206
  513    HA   DGL   2           HA       DGL   2  16.300  16.619   0.592
  514    HB2  DGL   2           HB1      DGL   2  18.657  14.724   0.894
  515    HB3  DGL   2           HB2      DGL   2  18.586  16.260   1.750
  516    HG2  DGL   2           HG1      DGL   2  18.506  17.362  -0.613
  517    HG3  DGL   2           HG2      DGL   2  19.207  15.862  -1.233
  518    H    LYS   3           HN       LYS   3  21.106  15.177   0.357
  519    HA   LYS   3           HA       LYS   3  23.210  15.441   0.799
  520    HB2  LYS   3           HB2      LYS   3  23.630  16.515  -1.175
  521    HB3  LYS   3           HB1      LYS   3  22.863  18.028  -0.657
  522    HG2  LYS   3           HG2      LYS   3  24.689  17.841   1.275
  523    HG3  LYS   3           HG1      LYS   3  25.523  16.854   0.085
  524    HD2  LYS   3           HD2      LYS   3  25.789  18.637  -1.468
  525    HD3  LYS   3           HD1      LYS   3  24.580  19.549  -0.626
  526    HE2  LYS   3           HE1      LYS   3  27.344  19.260   0.349
  527    HE3  LYS   3           HE2      LYS   3  26.259  20.770  -0.256
  528    HZ1  LYS   3           HZ1      LYS   3  25.773  19.920   2.412
  529    HZ2  LYS   3           HZ2      LYS   3  25.920  21.486   1.699
  530    HZ3  LYS   3           HZ3      LYS   3  27.285  20.574   2.065
  531    H    DAL   4           HN       DAL   4  21.835  18.461   1.514
  532    HA   DAL   4           HA       DAL   4  21.694  18.642   4.622
  533    HB1  DAL   4           HB1      DAL   4  20.106  20.436   3.118
  534    HB2  DAL   4           HB2      DAL   4  20.235  20.215   4.860
  535    HB3  DAL   4           HB3      DAL   4  19.528  18.905   3.830
  536    H    DAL   5           HN       DAL   5  22.446  21.293   4.730
  537    HA   DAL   5           HA       DAL   5  25.453  22.042   4.605
  538    HB1  DAL   5           HB1      DAL   5  24.288  23.714   5.968
  539    HB2  DAL   5           HB2      DAL   5  23.374  22.282   6.319
  540    HB3  DAL   5           HB3      DAL   5  22.672  23.525   5.254
  541    H12  P1W 103           H12      TPL  10  -7.910  -7.490   6.275
  542    H11  P1W 103           H11      TPL  10  -7.780  -6.435   4.869
  543    H2   P1W 103           H2       TPL  10  -9.044  -7.917   3.538
  544    H43  P1W 103           H42      TPL  10 -11.210 -10.602   4.329
  545    H42  P1W 103           H41      TPL  10 -10.416  -9.689   3.042
  546    H51  P1W 103           H51      TPL  10  -9.682  -8.850   7.133
  547    H52  P1W 103           H52      TPL  10 -10.338 -10.416   6.658
  548    H53  P1W 103           H53      TPL  10 -11.340  -8.970   6.520
  549    H12  P1W 104           H12      TPL  11  -8.277 -10.824   3.675
  550    H11  P1W 104           H11      TPL  11  -9.206 -11.868   4.747
  551    H2   P1W 104           H2       TPL  11 -10.609 -12.530   2.680
  552    H43  P1W 104           H42      TPL  11  -8.347 -13.666   0.057
  553    H42  P1W 104           H41      TPL  11 -10.016 -13.775   0.616
  554    H51  P1W 104           H51      TPL  11  -6.921 -11.627   2.176
  555    H52  P1W 104           H52      TPL  11  -7.797 -10.380   1.290
  556    H53  P1W 104           H53      TPL  11  -7.090 -11.740   0.425
  557    H12  P1W 105           H12      TPL  11   4.208  -8.974  -7.514
  558    H11  P1W 105           H11      TPL  11   5.031  -9.733  -6.161
  559    H2   P1W 105           H2       TPL  11   2.338  -9.205  -5.289
  560    H43  P1W 105           H42      TPL  11   0.891 -12.360  -6.829
  561    H42  P1W 105           H41      TPL  11   1.155 -11.783  -5.184
  562    H51  P1W 105           H51      TPL  11   2.228 -12.090  -8.378
  563    H52  P1W 105           H52      TPL  11   3.816 -12.065  -7.613
  564    H53  P1W 105           H53      TPL  11   3.292 -10.701  -8.598
  565    H12  P1W 106           H12      TPL  12 -10.682 -11.925  -0.691
  566    H11  P1W 106           H11      TPL  12  -9.016 -11.429  -0.980
  567    H2   P1W 106           H2       TPL  12  -8.666 -13.217  -2.535
  568    H43  P1W 106           H43      TPL  12 -11.386 -14.326  -4.573
  569    H41  P1W 106           H41      TPL  12 -10.658 -15.658  -3.663
  570    H42  P1W 106           H42      TPL  12  -9.637 -14.408  -4.371
  571    H51  P1W 106           H51      TPL  12 -12.688 -14.539  -2.461
  572    H52  P1W 106           H52      TPL  12 -12.524 -12.829  -2.062
  573    H53  P1W 106           H53      TPL  12 -11.991 -14.059  -0.913
  574    H12  P1W 107           H12      TPL  12   0.205  -9.529  -6.329
  575    H11  P1W 107           H11      TPL  12  -0.631 -10.745  -7.291
  576    H2   P1W 107           H2       TPL  12  -0.825 -10.313  -4.300
  577    H43  P1W 107           H43      TPL  12  -4.001 -10.960  -4.193
  578    H41  P1W 107           H41      TPL  12  -2.643 -11.532  -3.213
  579    H42  P1W 107           H42      TPL  12  -3.592 -12.676  -4.161
  580    H51  P1W 107           H51      TPL  12  -1.911 -12.749  -7.021
  581    H52  P1W 107           H52      TPL  12  -2.997 -11.394  -7.329
  582    H53  P1W 107           H53      TPL  12  -3.568 -12.793  -6.416
  583    H12  P1W 103           H12      TPL  10   8.568  -7.094  -5.503
  584    H11  P1W 103           H11      TPL  10   8.025  -5.487  -5.003
  585    H2   P1W 103           H2       TPL  10   6.021  -6.955  -3.870
  586    H43  P1W 103           H42      TPL  10   4.159  -7.784  -4.750
  587    H42  P1W 103           H41      TPL  10   3.764  -7.007  -6.284
  588    H51  P1W 103           H51      TPL  10   5.481  -6.758  -8.024
  589    H52  P1W 103           H52      TPL  10   6.701  -8.005  -7.763
  590    H53  P1W 103           H53      TPL  10   7.089  -6.316  -7.432
  591    H12  P1W 103           H12      TPL  10  -8.006   7.509  -2.704
  592    H11  P1W 103           H11      TPL  10  -9.226   8.767  -2.913
  593    H2   P1W 103           H2       TPL  10  -8.336   6.858  -4.880
  594    H43  P1W 103           H42      TPL  10  -9.773   6.283  -6.777
  595    H42  P1W 103           H41      TPL  10 -11.331   7.080  -6.950
  596    H51  P1W 103           H51      TPL  10 -11.316   8.734  -3.721
  597    H52  P1W 103           H52      TPL  10 -12.224   8.391  -5.191
  598    H53  P1W 103           H53      TPL  10 -11.032   9.690  -5.184
  599    H12  P1W 103           H12      TPL  10  11.219   5.690   4.806
  600    H11  P1W 103           H11      TPL  10   9.642   5.435   4.059
  601    H2   P1W 103           H2       TPL  10  11.100   7.982   3.401
  602    H43  P1W 103           H42      TPL  10   9.654  10.126   5.667
  603    H42  P1W 103           H41      TPL  10  10.347   9.982   4.048
  604    H51  P1W 103           H51      TPL  10   7.902   7.666   6.015
  605    H52  P1W 103           H52      TPL  10   9.283   8.161   6.994
  606    H53  P1W 103           H53      TPL  10   9.255   6.551   6.274
  607    H12  P1W 104           H12      TPL  11 -10.028   7.985  -8.650
  608    H11  P1W 104           H11      TPL  11  -9.932   9.211  -7.384
  609    H2   P1W 104           H2       TPL  11  -7.790   7.284  -8.275
  610    H43  P1W 104           H42      TPL  11  -5.403   9.572  -6.498
  611    H42  P1W 104           H41      TPL  11  -5.592   7.850  -6.842
  612    H51  P1W 104           H51      TPL  11  -8.475  10.830  -7.270
  613    H52  P1W 104           H52      TPL  11  -6.994  10.945  -6.321
  614    H53  P1W 104           H53      TPL  11  -8.400  10.117  -5.657
  615    H12  P1W 105           H12      TPL  11   7.482   9.286   4.415
  616    H11  P1W 105           H11      TPL  11   7.923  10.992   4.417
  617    H2   P1W 105           H2       TPL  11   9.258  10.320   2.189
  618    H43  P1W 105           H42      TPL  11   8.368   8.574  -0.015
  619    H42  P1W 105           H41      TPL  11   6.634   8.877  -0.132
  620    H51  P1W 105           H51      TPL  11   5.628   9.159   2.867
  621    H52  P1W 105           H52      TPL  11   6.650   7.732   3.026
  622    H53  P1W 105           H53      TPL  11   5.753   8.009   1.537
  623    H12  P1W 106           H12      TPL  12  -5.743   8.375  -9.256
  624    H11  P1W 106           H11      TPL  12  -5.474  10.077  -8.885
  625    H2   P1W 106           H2       TPL  12  -3.503   7.796  -8.510
  626    H43  P1W 106           H43      TPL  12  -0.925   9.871  -9.387
  627    H41  P1W 106           H41      TPL  12  -1.206   8.437  -8.390
  628    H42  P1W 106           H42      TPL  12  -0.903   9.999  -7.629
  629    H51  P1W 106           H51      TPL  12  -3.787  11.437  -7.433
  630    H52  P1W 106           H52      TPL  12  -3.803  11.585  -9.191
  631    H53  P1W 106           H53      TPL  12  -2.311  11.878  -8.292
  632    H12  P1W 107           H12      TPL  12   7.147  11.329   0.099
  633    H11  P1W 107           H11      TPL  12   8.854  10.916  -0.046
  634    H2   P1W 107           H2       TPL  12   7.634   9.613  -2.220
  635    H43  P1W 107           H43      TPL  12   7.016  12.491  -4.495
  636    H41  P1W 107           H41      TPL  12   6.834  10.736  -4.365
  637    H42  P1W 107           H42      TPL  12   8.439  11.449  -4.532
  638    H51  P1W 107           H51      TPL  12   6.494  13.360  -1.806
  639    H52  P1W 107           H52      TPL  12   7.892  13.786  -2.793
  640    H53  P1W 107           H53      TPL  12   8.122  13.196  -1.145
  641    H1   MUB 101           H1       NAM   6 -11.554  -6.107   0.066
  642    H2   MUB 101           H2       NAM   6 -13.673  -5.414   0.628
  643    HN2  MUB 101           HN2      NAM   6 -14.426  -5.849   2.680
  644    H81  MUB 101           H81      NAM   6 -15.965  -7.099   4.027
  645    H82  MUB 101           H82      NAM   6 -14.693  -8.166   4.591
  646    H83  MUB 101           H83      NAM   6 -16.072  -8.863   3.753
  647    H3   MUB 101           H3       NAM   6 -14.531  -8.388   0.399
  648    H9   MUB 101           H9       NAM   6 -14.006  -5.777  -1.234
  649   H111  MUB 101          H111      NAM   6 -16.719  -4.548  -0.583
  650   H112  MUB 101          H112      NAM   6 -15.477  -3.660  -1.415
  651   H113  MUB 101          H113      NAM   6 -15.076  -4.273   0.154
  652    H4A  MUB 101           H4       NAM   6 -12.937  -7.316  -1.929
  653    H5   MUB 101           H5       NAM   6 -11.804  -9.660  -0.374
  654    H61  MUB 101           H61      NAM   6 -10.796  -8.525  -2.312
  655    H62  MUB 101           H62      NAM   6  -9.630  -8.865  -0.979
  656    HO6  MUB 101           HO6      NAM   6  -9.650  -6.577  -0.697
  657    H1   NAG 102           H1       NAG   7 -15.262  -9.460  -0.860
  658    H2   NAG 102           H2       NAG   7 -14.295 -11.463  -2.975
  659    H3   NAG 102           H3       NAG   7 -16.722 -11.716  -1.207
  660    H4   NAG 102           H4       NAG   7 -14.292 -13.436  -0.917
  661    H5   NAG 102           H5       NAG   7 -15.184 -11.030   1.000
  662    H61  NAG 102           H61      NAG   7 -12.699 -12.726   1.180
  663    H62  NAG 102           H62      NAG   7 -14.156 -12.817   2.176
  664    H81  NAG 102           H81      NAG   7 -18.487  -8.452  -3.666
  665    H82  NAG 102           H82      NAG   7 -17.937  -9.655  -4.827
  666    H83  NAG 102           H83      NAG   7 -16.968  -8.207  -4.564
  667    HN2  NAG 102           HN2      NAG   7 -15.448 -10.308  -4.228
  668    HO3  NAG 102           HO3      NAG   7 -16.651 -12.786  -3.219
  669    HO4  NAG 102           HO4      NAG   7 -16.379 -14.076  -0.261
  670    HO6  NAG 102           HO6      NAG   7 -13.344 -10.279   2.008
  671    H1   MUB 101           H1       NAM   6  10.513  -8.652  -7.886
  672    H2   MUB 101           H2       NAM   6  12.617  -7.992  -7.585
  673    HN2  MUB 101           HN2      NAM   6  12.926  -6.080  -6.418
  674    H81  MUB 101           H81      NAM   6  13.590  -3.498  -6.838
  675    H82  MUB 101           H82      NAM   6  12.089  -3.630  -5.931
  676    H83  MUB 101           H83      NAM   6  12.110  -2.668  -7.405
  677    H3   MUB 101           H3       NAM   6  12.084  -5.836  -9.822
  678    H9   MUB 101           H9       NAM   6  13.362  -8.635  -9.253
  679   H111  MUB 101          H111      NAM   6  16.009  -7.514  -8.249
  680   H112  MUB 101          H112      NAM   6  15.662  -9.216  -8.199
  681   H113  MUB 101          H113      NAM   6  14.572  -8.176  -7.349
  682    H4A  MUB 101           H4       NAM   6  11.934  -8.751 -10.670
  683    H5   MUB 101           H5       NAM   6   9.443  -7.164 -10.951
  684    H61  MUB 101           H61      NAM   6   9.650  -9.582 -11.063
  685    H62  MUB 101           H62      NAM   6   8.255  -9.105 -10.047
  686    HO6  MUB 101           HO6      NAM   6   9.767 -10.773  -9.124
  687    H1   NAG 102           H1       NAG   7  12.684  -5.609 -11.516
  688    H2   NAG 102           H2       NAG   7  11.424  -6.134 -14.269
  689    H3   NAG 102           H3       NAG   7  12.983  -3.720 -13.326
  690    H4   NAG 102           H4       NAG   7  10.049  -3.657 -13.929
  691    H5   NAG 102           H5       NAG   7  11.423  -3.573 -11.045
  692    H61  NAG 102           H61      NAG   7   8.488  -3.734 -11.683
  693    H62  NAG 102           H62      NAG   7   9.415  -2.298 -11.228
  694    H81  NAG 102           H81      NAG   7  15.744  -6.660 -15.014
  695    H82  NAG 102           H82      NAG   7  15.676  -7.710 -13.603
  696    H83  NAG 102           H83      NAG   7  16.590  -6.206 -13.513
  697    HN2  NAG 102           HN2      NAG   7  13.247  -7.077 -14.566
  698    HO3  NAG 102           HO3      NAG   7  12.902  -4.348 -15.542
  699    HO4  NAG 102           HO4      NAG   7  11.435  -1.809 -14.048
  700    HO6  NAG 102           HO6      NAG   7  10.064  -4.095  -9.466
  701    H1   MUB 101           H1       NAM   6 -14.946   6.432  -2.726
  702    H2   MUB 101           H2       NAM   6 -14.992   4.128  -2.278
  703    HN2  MUB 101           HN2      NAM   6 -13.181   3.003  -2.874
  704    H81  MUB 101           H81      NAM   6 -12.494   1.602  -6.170
  705    H82  MUB 101           H82      NAM   6 -12.592   1.025  -4.511
  706    H83  MUB 101           H83      NAM   6 -11.504   2.357  -4.887
  707    H3   MUB 101           H3       NAM   6 -15.577   3.787  -5.325
  708    H9   MUB 101           H9       NAM   6 -16.943   4.226  -2.536
  709   H111  MUB 101          H111      NAM   6 -16.620   1.283  -1.750
  710   H112  MUB 101          H112      NAM   6 -17.006   2.549  -0.623
  711   H113  MUB 101          H113      NAM   6 -15.514   2.705  -1.487
  712    H4A  MUB 101           H4       NAM   6 -17.225   5.812  -3.736
  713    H5   MUB 101           H5       NAM   6 -15.615   6.560  -6.214
  714    H61  MUB 101           H61      NAM   6 -17.107   8.090  -5.050
  715    H62  MUB 101           H62      NAM   6 -15.448   8.770  -5.337
  716    HO6  MUB 101           HO6      NAM   6 -16.598   8.808  -3.066
  717    H1   NAG 102           H1       NAG   7 -17.355   3.478  -6.103
  718    H2   NAG 102           H2       NAG   7 -19.168   5.382  -7.723
  719    H3   NAG 102           H3       NAG   7 -18.485   2.554  -8.417
  720    H4   NAG 102           H4       NAG   7 -17.428   4.881  -9.972
  721    H5   NAG 102           H5       NAG   7 -15.789   3.060  -7.910
  722    H61  NAG 102           H61      NAG   7 -14.881   5.384  -9.565
  723    H62  NAG 102           H62      NAG   7 -14.392   3.693  -9.638
  724    H81  NAG 102           H81      NAG   7 -21.088   1.474  -4.942
  725    H82  NAG 102           H82      NAG   7 -22.059   2.531  -5.960
  726    H83  NAG 102           H83      NAG   7 -21.317   3.186  -4.502
  727    HN2  NAG 102           HN2      NAG   7 -20.607   4.684  -6.497
  728    HO3  NAG 102           HO3      NAG   7 -19.674   4.776  -9.730
  729    HO4  NAG 102           HO4      NAG   7 -17.705   2.747 -10.800
  730    HO6  NAG 102           HO6      NAG   7 -14.021   4.338  -7.173
  731    H1   MUB 101           H1       NAM   6  12.232   8.642   0.289
  732    H2   MUB 101           H2       NAM   6  13.605   8.211  -1.419
  733    HN2  MUB 101           HN2      NAM   6  14.579   6.214  -1.450
  734    H81  MUB 101           H81      NAM   6  16.980   5.154  -1.313
  735    H82  MUB 101           H82      NAM   6  16.042   4.393  -0.042
  736    H83  MUB 101           H83      NAM   6  17.565   5.164   0.379
  737    H3   MUB 101           H3       NAM   6  16.000   8.701   0.555
  738    H9   MUB 101           H9       NAM   6  14.273   9.894  -1.779
  739   H111  MUB 101          H111      NAM   6  15.958   8.443  -3.874
  740   H112  MUB 101          H112      NAM   6  14.423   9.175  -4.233
  741   H113  MUB 101          H113      NAM   6  14.431   7.936  -3.024
  742    H4A  MUB 101           H4       NAM   6  14.007  10.951  -0.073
  743    H5   MUB 101           H5       NAM   6  14.377  10.093   2.787
  744    H61  MUB 101           H61      NAM   6  12.719  11.659   2.026
  745    H62  MUB 101           H62      NAM   6  11.975  10.376   3.049
  746    HO6  MUB 101           HO6      NAM   6  10.778  10.683   1.040
  747    H1   NAG 102           H1       NAG   7  17.108  10.113   0.755
  748    H2   NAG 102           H2       NAG   7  17.324  12.868   2.045
  749    H3   NAG 102           H3       NAG   7  19.644  10.981   1.683
  750    H4   NAG 102           H4       NAG   7  18.481  11.599   4.364
  751    H5   NAG 102           H5       NAG   7  18.064   8.912   2.669
  752    H61  NAG 102           H61      NAG   7  16.985   9.619   5.393
  753    H62  NAG 102           H62      NAG   7  18.208   8.423   4.945
  754    H81  NAG 102           H81      NAG   7  19.288  11.812  -2.663
  755    H82  NAG 102           H82      NAG   7  19.388  13.389  -1.889
  756    H83  NAG 102           H83      NAG   7  17.820  12.796  -2.429
  757    HN2  NAG 102           HN2      NAG   7  17.644  13.449   0.095
  758    HO3  NAG 102           HO3      NAG   7  19.102  13.466   2.907
  759    HO4  NAG 102           HO4      NAG   7  20.615  10.904   4.061
  760    HO6  NAG 102           HO6      NAG   7  15.715   8.444   3.641
  Start of MODEL   13
    1    H    ZAE   1           HN1      DPH   1  10.289 -12.662   6.091
    2    HA   ZAE   1           HA       DPH   1   8.830 -13.744   4.554
    3    HB2  ZAE   1           HB1      DPH   1  10.191 -11.979   2.635
    4    HB3  ZAE   1           HB2      DPH   1  11.233 -12.611   3.904
    5    HD1  ZAE   1           HD1      DPH   1  10.601 -15.280   4.359
    6    HD2  ZAE   1           HD2      DPH   1  10.299 -13.149   0.687
    7    HE1  ZAE   1           HE1      DPH   1  10.810 -17.397   3.116
    8    HE2  ZAE   1           HE2      DPH   1  10.519 -15.251  -0.555
    9    HZ   ZAE   1           HZ       DPH   1  10.768 -17.381   0.653
   10    H11  ZAE   1          HN11      DPH   1  10.410 -10.313   6.357
   11    H12  ZAE   1          HN12      DPH   1   9.351 -10.110   4.962
   12    H13  ZAE   1          HN13      DPH   1  10.960 -10.800   4.752
   13    HN2  ZAE   1           HN2      DPH   1   8.725 -12.039   6.278
   14    H    ILE   2           HN       ILE   2   6.712 -12.605   5.131
   15    HA   ILE   2           HA       ILE   2   5.846 -11.066   2.776
   16    HB   ILE   2           HB       ILE   2   4.399 -13.053   4.528
   17   HG12  ILE   2          HG12      ILE   2   5.549 -13.508   2.208
   18   HG13  ILE   2          HG11      ILE   2   4.001 -14.241   2.593
   19   HG21  ILE   2          HG21      ILE   2   2.238 -12.347   3.642
   20   HG22  ILE   2          HG22      ILE   2   3.016 -11.015   2.782
   21   HG23  ILE   2          HG23      ILE   2   3.010 -11.041   4.544
   22   HD11  ILE   2          HD11      ILE   2   4.071 -13.393   0.325
   23   HD12  ILE   2          HD12      ILE   2   4.376 -11.767   0.940
   24   HD13  ILE   2          HD13      ILE   2   2.847 -12.572   1.294
   25    H    SER   3           HN       SER   3   5.339  -8.997   3.112
   26    HA   SER   3           HA       SER   3   4.190  -8.200   5.660
   27    HB2  SER   3           HB2      SER   3   5.912  -6.055   4.970
   28    HB3  SER   3           HB1      SER   3   5.934  -7.044   6.420
   29    HG   SER   3           HG       SER   3   7.144  -7.980   4.068
   30    H    DAR   4           HN       DAR   4   2.799  -6.531   5.583
   31    HA   DAR   4           HA       DAR   4   2.140  -5.533   2.893
   32    HB2  DAR   4           HB1      DAR   4   1.552  -4.174   5.503
   33    HB3  DAR   4           HB2      DAR   4   1.406  -3.503   3.882
   34    HG2  DAR   4           HG1      DAR   4   3.945  -4.298   5.272
   35    HG3  DAR   4           HG2      DAR   4   3.375  -2.653   4.977
   36    HD2  DAR   4           HD1      DAR   4   3.584  -2.941   2.610
   37    HD3  DAR   4           HD2      DAR   4   3.941  -4.660   2.801
   38    HE   DAR   4           HE       DAR   4   5.847  -3.344   4.262
   39   HH11  DAR   4          HH21      DAR   4   8.133  -2.464   1.748
   40   HH12  DAR   4          HH22      DAR   4   7.882  -2.652   3.520
   41   HH21  DAR   4          HH11      DAR   4   6.407  -2.842   0.287
   42   HH22  DAR   4          HH12      DAR   4   4.842  -3.495   0.897
   43    HA   28J   5           HA       28J   5  -1.904  -6.583   4.092
   44    H22  28J   5           HB       28J   5  -2.752  -8.472   2.507
   45    H23  28J   5          HG21      28J   5   0.202  -8.431   1.895
   46    H24  28J   5          HG22      28J   5  -1.107  -8.134   0.750
   47    H25  28J   5          HG23      28J   5  -0.903  -9.735   1.464
   48    H26  28J   5          HG11      28J   5  -1.866  -8.706   4.896
   49    H27  28J   5          HG12      28J   5  -0.303  -9.083   4.177
   50    H28  28J   5          HD11      28J   5  -1.510 -11.095   4.815
   51    H29  28J   5          HD12      28J   5  -1.251 -11.021   3.072
   52    H30  28J   5          HD13      28J   5  -2.838 -10.644   3.745
   53    H    ILE   6           HN       ILE   6  -4.002  -6.450   3.269
   54    HA   ILE   6           HA       ILE   6  -4.340  -4.362   1.282
   55    HB   ILE   6           HB       ILE   6  -4.392  -6.171  -0.189
   56   HG12  ILE   6          HG12      ILE   6  -7.222  -5.616   0.655
   57   HG13  ILE   6          HG11      ILE   6  -6.288  -4.844  -0.609
   58   HG21  ILE   6          HG21      ILE   6  -4.348  -8.026   1.328
   59   HG22  ILE   6          HG22      ILE   6  -5.657  -8.267   0.171
   60   HG23  ILE   6          HG23      ILE   6  -6.019  -7.732   1.812
   61   HD11  ILE   6          HD11      ILE   6  -7.206  -7.669  -0.599
   62   HD12  ILE   6          HD12      ILE   6  -6.294  -6.867  -1.884
   63   HD13  ILE   6          HD13      ILE   6  -7.932  -6.335  -1.493
   64    H    SER   7           HN       SER   7  -5.617  -2.880   2.427
   65    HA   SER   7           HA       SER   7  -8.242  -3.779   3.292
   66    HB2  SER   7           HB2      SER   7  -6.852  -2.217   5.424
   67    HB3  SER   7           HB1      SER   7  -8.159  -3.398   5.565
   68    HG   SER   7           HG       SER   7  -6.456  -4.952   4.893
   69    H    DTH   8           HN       DTC   8  -9.392  -1.836   4.452
   70    HA   DTH   8           HA       DTC   8  -8.917   0.646   2.899
   71    HB   DTH   8           HB       DTC   8  -9.888   1.998   4.682
   72   HG21  DTH   8          HG21      DTC   8  -7.996   2.022   5.946
   73   HG22  DTH   8          HG22      DTC   8  -7.423   0.810   4.800
   74   HG23  DTH   8          HG23      DTC   8  -8.114   0.309   6.343
   75    H    ALA   9           HN       ALA   9 -11.069  -1.904   3.620
   76    HA   ALA   9           HA       ALA   9 -13.146  -0.965   1.945
   77    HB1  ALA   9           HB1      ALA   9 -12.760  -3.328   3.737
   78    HB2  ALA   9           HB2      ALA   9 -12.844  -3.282   1.977
   79    HB3  ALA   9           HB3      ALA   9 -14.300  -3.027   2.938
   80    H    LEU  10           HN       LEU  10 -13.316  -2.215   5.109
   81    HA   LEU  10           HA       LEU  10 -15.551  -0.398   5.750
   82    HB2  LEU  10           HB2      LEU  10 -15.527  -1.825   7.958
   83    HB3  LEU  10           HB1      LEU  10 -16.232  -2.459   6.487
   84    HG   LEU  10           HG       LEU  10 -14.906  -4.149   7.662
   85   HD11  LEU  10          HD11      LEU  10 -14.638  -3.344   4.938
   86   HD12  LEU  10          HD12      LEU  10 -14.687  -4.965   5.630
   87   HD13  LEU  10          HD13      LEU  10 -13.150  -4.113   5.488
   88   HD21  LEU  10          HD21      LEU  10 -12.568  -2.323   7.119
   89   HD22  LEU  10          HD22      LEU  10 -12.457  -3.980   7.712
   90   HD23  LEU  10          HD23      LEU  10 -13.226  -2.738   8.700
   91    H    ILE  11           HN       ILE  11 -12.234  -0.836   6.318
   92    HA   ILE  11           HA       ILE  11 -12.343   1.287   8.393
   93    HB   ILE  11           HB       ILE  11 -10.680  -1.246   8.506
   94   HG12  ILE  11          HG12      ILE  11 -12.147   0.063  10.793
   95   HG13  ILE  11          HG11      ILE  11 -12.992  -1.010   9.683
   96   HG21  ILE  11          HG21      ILE  11  -9.403  -0.233  10.319
   97   HG22  ILE  11          HG22      ILE  11 -10.250   1.294  10.066
   98   HG23  ILE  11          HG23      ILE  11  -9.190   0.653   8.809
   99   HD11  ILE  11          HD11      ILE  11 -10.644  -1.716  11.437
  100   HD12  ILE  11          HD12      ILE  11 -11.391  -2.803  10.264
  101   HD13  ILE  11          HD13      ILE  11 -12.319  -2.227  11.649
  102    H    ZAE   1           HN1      DPH   1  -8.635   3.567   1.525
  103    HA   ZAE   1           HA       DPH   1  -9.455   3.235  -0.641
  104    HB2  ZAE   1           HB1      DPH   1 -11.172   1.096   0.619
  105    HB3  ZAE   1           HB2      DPH   1 -11.746   2.668   0.074
  106    HD1  ZAE   1           HD1      DPH   1 -10.585   3.035  -2.478
  107    HD2  ZAE   1           HD2      DPH   1 -12.038  -0.520  -0.683
  108    HE1  ZAE   1           HE1      DPH   1 -11.104   2.138  -4.697
  109    HE2  ZAE   1           HE2      DPH   1 -12.552  -1.445  -2.903
  110    HZ   ZAE   1           HZ       DPH   1 -12.089  -0.105  -4.918
  111    H11  ZAE   1          HN11      DPH   1 -10.407   4.474   2.610
  112    H12  ZAE   1          HN12      DPH   1 -11.518   3.280   1.926
  113    H13  ZAE   1          HN13      DPH   1 -10.815   4.527   0.891
  114    HN2  ZAE   1           HN2      DPH   1  -9.453   2.210   2.139
  115    H    ILE   2           HN       ILE   2  -7.366   2.496  -1.113
  116    HA   ILE   2           HA       ILE   2  -7.046  -0.367  -0.562
  117    HB   ILE   2           HB       ILE   2  -6.238   1.136  -3.042
  118   HG12  ILE   2          HG12      ILE   2  -8.617   0.448  -2.839
  119   HG13  ILE   2          HG11      ILE   2  -7.778  -0.282  -4.199
  120   HG21  ILE   2          HG21      ILE   2  -5.608  -1.728  -2.331
  121   HG22  ILE   2          HG22      ILE   2  -4.451  -0.398  -2.452
  122   HG23  ILE   2          HG23      ILE   2  -5.314  -0.950  -3.886
  123   HD11  ILE   2          HD11      ILE   2  -8.402  -1.604  -1.594
  124   HD12  ILE   2          HD12      ILE   2  -7.528  -2.339  -2.940
  125   HD13  ILE   2          HD13      ILE   2  -9.218  -1.867  -3.134
  126    H    SER   3           HN       SER   3  -5.628  -0.691   0.854
  127    HA   SER   3           HA       SER   3  -3.062   0.643   0.665
  128    HB2  SER   3           HB2      SER   3  -2.941   1.000   3.091
  129    HB3  SER   3           HB1      SER   3  -4.205   1.966   2.340
  130    HG   SER   3           HG       SER   3  -5.620   0.110   3.001
  131    H    DAR   4           HN       DAR   4  -1.436  -0.392   1.828
  132    HA   DAR   4           HA       DAR   4  -1.894  -3.296   2.037
  133    HB2  DAR   4           HB1      DAR   4   0.155  -1.772   3.613
  134    HB3  DAR   4           HB2      DAR   4  -0.382  -3.423   3.858
  135    HG2  DAR   4           HG1      DAR   4  -2.084  -0.983   4.301
  136    HG3  DAR   4           HG2      DAR   4  -1.218  -1.866   5.562
  137    HD2  DAR   4           HD1      DAR   4  -2.556  -3.864   4.283
  138    HD3  DAR   4           HD2      DAR   4  -3.701  -2.528   4.172
  139    HE   DAR   4           HE       DAR   4  -2.833  -3.897   6.569
  140   HH11  DAR   4          HH21      DAR   4  -5.138  -2.098   8.506
  141   HH12  DAR   4          HH22      DAR   4  -4.017  -3.503   8.464
  142   HH21  DAR   4          HH11      DAR   4  -5.381  -0.759   6.651
  143   HH22  DAR   4          HH12      DAR   4  -4.419  -1.096   5.170
  144    HA   28J   5           HA       28J   5   1.790  -3.123  -0.323
  145    H22  28J   5           HB       28J   5   1.360  -4.506  -2.485
  146    H23  28J   5          HG21      28J   5  -0.570  -5.736  -1.641
  147    H24  28J   5          HG22      28J   5  -0.998  -4.776  -3.058
  148    H25  28J   5          HG23      28J   5  -1.454  -4.223  -1.446
  149    H26  28J   5          HG11      28J   5   1.326  -1.974  -2.191
  150    H27  28J   5          HG12      28J   5  -0.421  -2.109  -2.029
  151    H28  28J   5          HD11      28J   5   0.230  -1.472  -4.287
  152    H29  28J   5          HD12      28J   5  -0.580  -3.038  -4.268
  153    H30  28J   5          HD13      28J   5   1.174  -2.954  -4.436
  154    H    ILE   6           HN       ILE   6   3.409  -4.648  -1.220
  155    HA   ILE   6           HA       ILE   6   3.482  -7.109   0.324
  156    HB   ILE   6           HB       ILE   6   2.305  -8.101  -1.387
  157   HG12  ILE   6          HG12      ILE   6   4.045  -9.291  -2.920
  158   HG13  ILE   6          HG11      ILE   6   5.225  -8.527  -1.863
  159   HG21  ILE   6          HG21      ILE   6   3.861  -6.582  -3.470
  160   HG22  ILE   6          HG22      ILE   6   2.176  -6.320  -3.019
  161   HG23  ILE   6          HG23      ILE   6   2.656  -7.821  -3.817
  162   HD11  ILE   6          HD11      ILE   6   4.148  -9.650   0.047
  163   HD12  ILE   6          HD12      ILE   6   4.774 -10.780  -1.161
  164   HD13  ILE   6          HD13      ILE   6   3.045 -10.436  -1.078
  165    H    SER   7           HN       SER   7   5.462  -7.495   1.062
  166    HA   SER   7           HA       SER   7   7.761  -7.099  -0.610
  167    HB2  SER   7           HB2      SER   7   8.664  -5.202   0.258
  168    HB3  SER   7           HB1      SER   7   6.951  -4.810   0.480
  169    HG   SER   7           HG       SER   7   7.235  -5.881   2.566
  170    H    DTH   8           HN       DTC   8   9.670  -7.875   0.248
  171    HA   DTH   8           HA       DTC   8   9.383  -9.585   2.622
  172    HB   DTH   8           HB       DTC   8  11.706  -8.917   3.395
  173   HG21  DTH   8          HG21      DTC   8   9.644  -6.684   3.192
  174   HG22  DTH   8          HG22      DTC   8  10.963  -6.767   4.362
  175   HG23  DTH   8          HG23      DTC   8   9.664  -7.959   4.409
  176    H    ALA   9           HN       ALA   9  10.482  -9.298  -0.592
  177    HA   ALA   9           HA       ALA   9  12.328 -11.543  -0.518
  178    HB1  ALA   9           HB1      ALA   9  12.072  -9.909  -2.995
  179    HB2  ALA   9           HB2      ALA   9  10.654 -10.818  -2.478
  180    HB3  ALA   9           HB3      ALA   9  12.167 -11.658  -2.798
  181    H    LEU  10           HN       LEU  10  12.297  -8.257  -1.705
  182    HA   LEU  10           HA       LEU  10  15.207  -8.176  -1.807
  183    HB2  LEU  10           HB2      LEU  10  13.044  -6.206  -2.490
  184    HB3  LEU  10           HB1      LEU  10  14.701  -5.668  -2.301
  185    HG   LEU  10           HG       LEU  10  15.381  -6.568  -4.263
  186   HD11  LEU  10          HD11      LEU  10  13.877  -8.618  -5.150
  187   HD12  LEU  10          HD12      LEU  10  13.723  -8.816  -3.404
  188   HD13  LEU  10          HD13      LEU  10  15.320  -8.792  -4.152
  189   HD21  LEU  10          HD21      LEU  10  13.818  -5.264  -5.292
  190   HD22  LEU  10          HD22      LEU  10  12.463  -6.080  -4.515
  191   HD23  LEU  10          HD23      LEU  10  13.290  -6.846  -5.871
  192    H    ILE  11           HN       ILE  11  12.636  -6.434  -0.107
  193    HA   ILE  11           HA       ILE  11  14.689  -5.872   1.980
  194    HB   ILE  11           HB       ILE  11  12.186  -4.235   1.468
  195   HG12  ILE  11          HG12      ILE  11  14.194  -2.489   1.075
  196   HG13  ILE  11          HG11      ILE  11  15.007  -3.953   0.532
  197   HG21  ILE  11          HG21      ILE  11  14.508  -3.796   3.340
  198   HG22  ILE  11          HG22      ILE  11  12.884  -4.301   3.811
  199   HG23  ILE  11          HG23      ILE  11  13.145  -2.702   3.111
  200   HD11  ILE  11          HD11      ILE  11  12.469  -2.761  -0.564
  201   HD12  ILE  11          HD12      ILE  11  13.116  -4.329  -1.047
  202   HD13  ILE  11          HD13      ILE  11  14.041  -2.860  -1.359
  203    H    ZAE   1           HN1      DPH   1   9.357  -4.806  -1.248
  204    HA   ZAE   1           HA       DPH   1   8.387  -4.072  -3.207
  205    HB2  ZAE   1           HB1      DPH   1  10.207  -1.800  -2.589
  206    HB3  ZAE   1           HB2      DPH   1  10.834  -3.442  -2.526
  207    HD1  ZAE   1           HD1      DPH   1  10.812  -4.850  -4.498
  208    HD2  ZAE   1           HD2      DPH   1   9.819  -0.722  -4.671
  209    HE1  ZAE   1           HE1      DPH   1  11.287  -4.869  -6.906
  210    HE2  ZAE   1           HE2      DPH   1  10.270  -0.736  -7.101
  211    HZ   ZAE   1           HZ       DPH   1  11.006  -2.806  -8.211
  212    H11  ZAE   1          HN11      DPH   1   9.059  -2.058  -0.263
  213    H12  ZAE   1          HN12      DPH   1  10.574  -2.871  -0.669
  214    H13  ZAE   1          HN13      DPH   1   9.608  -3.430   0.698
  215    HN2  ZAE   1           HN2      DPH   1   7.869  -4.112  -0.811
  216    H    ILE   2           HN       ILE   2   6.206  -3.485  -2.321
  217    HA   ILE   2           HA       ILE   2   5.917  -0.576  -2.465
  218    HB   ILE   2           HB       ILE   2   4.255  -2.582  -3.996
  219   HG12  ILE   2          HG12      ILE   2   6.496  -1.941  -4.911
  220   HG13  ILE   2          HG11      ILE   2   5.138  -1.535  -5.960
  221   HG21  ILE   2          HG21      ILE   2   3.001  -0.626  -4.853
  222   HG22  ILE   2          HG22      ILE   2   3.883   0.408  -3.727
  223   HG23  ILE   2          HG23      ILE   2   2.802  -0.841  -3.113
  224   HD11  ILE   2          HD11      ILE   2   5.242   0.747  -5.304
  225   HD12  ILE   2          HD12      ILE   2   6.850   0.224  -5.809
  226   HD13  ILE   2          HD13      ILE   2   6.472   0.388  -4.093
  227    H    SER   3           HN       SER   3   4.903   0.229  -0.943
  228    HA   SER   3           HA       SER   3   2.667  -1.110   0.298
  229    HB2  SER   3           HB2      SER   3   3.423  -0.846   2.528
  230    HB3  SER   3           HB1      SER   3   4.700  -1.694   1.664
  231    HG   SER   3           HG       SER   3   5.799   0.336   1.504
  232    H    DAR   4           HN       DAR   4   1.307   0.214   1.279
  233    HA   DAR   4           HA       DAR   4   1.658   3.080   0.704
  234    HB2  DAR   4           HB1      DAR   4   0.166   1.954   3.064
  235    HB3  DAR   4           HB2      DAR   4   0.516   3.640   2.740
  236    HG2  DAR   4           HG1      DAR   4   2.644   1.592   3.289
  237    HG3  DAR   4           HG2      DAR   4   1.879   2.574   4.540
  238    HD2  DAR   4           HD1      DAR   4   2.549   4.587   3.129
  239    HD3  DAR   4           HD2      DAR   4   3.603   3.474   2.256
  240    HE   DAR   4           HE       DAR   4   4.178   3.109   4.917
  241   HH11  DAR   4          HH21      DAR   4   6.509   5.709   5.356
  242   HH12  DAR   4          HH22      DAR   4   5.888   4.154   6.013
  243   HH21  DAR   4          HH11      DAR   4   5.599   6.602   3.446
  244   HH22  DAR   4          HH12      DAR   4   4.266   5.742   2.597
  245    HA   28J   5           HA       28J   5  -2.428   2.292  -0.592
  246    H22  28J   5           HB       28J   5  -2.451   2.881  -3.168
  247    H23  28J   5          HG21      28J   5   0.494   2.540  -2.615
  248    H24  28J   5          HG22      28J   5  -0.291   4.009  -3.195
  249    H25  28J   5          HG23      28J   5  -0.260   2.567  -4.208
  250    H26  28J   5          HG11      28J   5  -2.542   0.614  -1.980
  251    H27  28J   5          HG12      28J   5  -0.807   0.522  -2.259
  252    H28  28J   5          HD11      28J   5  -1.145   0.596  -4.647
  253    H29  28J   5          HD12      28J   5  -2.883   0.799  -4.420
  254    H30  28J   5          HD13      28J   5  -2.101  -0.705  -3.938
  255    H    ILE   6           HN       ILE   6  -4.226   3.535  -1.699
  256    HA   ILE   6           HA       ILE   6  -3.959   6.413  -1.158
  257    HB   ILE   6           HB       ILE   6  -3.279   6.297  -3.423
  258   HG12  ILE   6          HG12      ILE   6  -6.166   7.157  -3.553
  259   HG13  ILE   6          HG11      ILE   6  -4.928   8.118  -2.765
  260   HG21  ILE   6          HG21      ILE   6  -4.143   4.105  -4.026
  261   HG22  ILE   6          HG22      ILE   6  -4.597   5.295  -5.246
  262   HG23  ILE   6          HG23      ILE   6  -5.788   4.737  -4.066
  263   HD11  ILE   6          HD11      ILE   6  -4.667   7.317  -5.643
  264   HD12  ILE   6          HD12      ILE   6  -3.895   8.658  -4.795
  265   HD13  ILE   6          HD13      ILE   6  -5.621   8.721  -5.162
  266    H    SER   7           HN       SER   7  -5.659   7.187  -0.094
  267    HA   SER   7           HA       SER   7  -8.358   6.561  -0.878
  268    HB2  SER   7           HB2      SER   7  -9.000   5.215   0.921
  269    HB3  SER   7           HB1      SER   7  -7.415   4.578   0.465
  270    HG   SER   7           HG       SER   7  -6.909   6.464   2.143
  271    H    DTH   8           HN       DTC   8  -9.941   7.842  -0.009
  272    HA   DTH   8           HA       DTC   8  -9.396  10.135   1.587
  273    HB   DTH   8           HB       DTC   8 -10.904   9.683   3.492
  274   HG21  DTH   8          HG21      DTC   8  -8.583   8.830   3.802
  275   HG22  DTH   8          HG22      DTC   8  -9.072   7.268   3.144
  276   HG23  DTH   8          HG23      DTC   8  -9.768   7.842   4.658
  277    H    ALA   9           HN       ALA   9 -10.922   9.292  -1.063
  278    HA   ALA   9           HA       ALA   9 -12.996  10.932  -1.366
  279    HB1  ALA   9           HB1      ALA   9 -14.063   9.373  -2.881
  280    HB2  ALA   9           HB2      ALA   9 -12.996   8.098  -2.281
  281    HB3  ALA   9           HB3      ALA   9 -12.326   9.503  -3.113
  282    H    LEU  10           HN       LEU  10 -13.621   7.747  -0.406
  283    HA   LEU  10           HA       LEU  10 -16.245   8.569   0.617
  284    HB2  LEU  10           HB2      LEU  10 -15.180   5.813  -0.021
  285    HB3  LEU  10           HB1      LEU  10 -16.804   6.164   0.534
  286    HG   LEU  10           HG       LEU  10 -17.281   6.061  -1.682
  287   HD11  LEU  10          HD11      LEU  10 -17.775   8.316  -1.085
  288   HD12  LEU  10          HD12      LEU  10 -17.161   8.282  -2.738
  289   HD13  LEU  10          HD13      LEU  10 -16.117   8.812  -1.420
  290   HD21  LEU  10          HD21      LEU  10 -15.795   6.068  -3.444
  291   HD22  LEU  10          HD22      LEU  10 -14.710   5.609  -2.131
  292   HD23  LEU  10          HD23      LEU  10 -14.761   7.281  -2.699
  293    H    ILE  11           HN       ILE  11 -13.281   6.994   1.505
  294    HA   ILE  11           HA       ILE  11 -14.256   6.855   4.309
  295    HB   ILE  11           HB       ILE  11 -12.315   4.881   3.045
  296   HG12  ILE  11          HG12      ILE  11 -14.731   3.733   4.215
  297   HG13  ILE  11          HG11      ILE  11 -15.122   4.810   2.880
  298   HG21  ILE  11          HG21      ILE  11 -13.520   5.067   5.794
  299   HG22  ILE  11          HG22      ILE  11 -11.830   5.326   5.360
  300   HG23  ILE  11          HG23      ILE  11 -12.544   3.719   5.213
  301   HD11  ILE  11          HD11      ILE  11 -13.233   2.458   2.747
  302   HD12  ILE  11          HD12      ILE  11 -13.668   3.514   1.403
  303   HD13  ILE  11          HD13      ILE  11 -14.892   2.486   2.150
  304    H    ZAE   1           HN1      DPH   1  -9.483  14.255   3.413
  305    HA   ZAE   1           HA       DPH   1  -8.270  14.615   1.363
  306    HB2  ZAE   1           HB1      DPH   1 -10.131  12.508   0.469
  307    HB3  ZAE   1           HB2      DPH   1 -10.827  13.692   1.570
  308    HD1  ZAE   1           HD1      DPH   1  -9.700  16.205   0.885
  309    HD2  ZAE   1           HD2      DPH   1 -10.733  12.983  -1.713
  310    HE1  ZAE   1           HE1      DPH   1  -9.973  17.795  -0.981
  311    HE2  ZAE   1           HE2      DPH   1 -11.000  14.574  -3.575
  312    HZ   ZAE   1           HZ       DPH   1 -10.625  16.976  -3.212
  313    H11  ZAE   1          HN11      DPH   1 -10.347  12.069   2.996
  314    H12  ZAE   1          HN12      DPH   1  -9.491  12.168   4.535
  315    H13  ZAE   1          HN13      DPH   1  -8.708  11.426   3.138
  316    HN2  ZAE   1           HN2      DPH   1  -7.897  13.674   3.520
  317    H    ILE   2           HN       ILE   2  -6.155  13.609   1.743
  318    HA   ILE   2           HA       ILE   2  -5.873  11.175   0.122
  319    HB   ILE   2           HB       ILE   2  -3.635  13.138   0.654
  320   HG12  ILE   2          HG12      ILE   2  -5.619  14.333  -0.339
  321   HG13  ILE   2          HG11      ILE   2  -4.149  14.400  -1.300
  322   HG21  ILE   2          HG21      ILE   2  -2.730  12.237  -1.458
  323   HG22  ILE   2          HG22      ILE   2  -4.121  11.157  -1.572
  324   HG23  ILE   2          HG23      ILE   2  -2.981  10.985  -0.241
  325   HD11  ILE   2          HD11      ILE   2  -6.133  14.061  -2.656
  326   HD12  ILE   2          HD12      ILE   2  -6.451  12.548  -1.807
  327   HD13  ILE   2          HD13      ILE   2  -4.996  12.718  -2.789
  328    H    SER   3           HN       SER   3  -5.128   9.407   1.106
  329    HA   SER   3           HA       SER   3  -3.294   9.661   3.342
  330    HB2  SER   3           HB2      SER   3  -5.705   7.885   3.676
  331    HB3  SER   3           HB1      SER   3  -4.467   8.252   4.869
  332    HG   SER   3           HG       SER   3  -5.414  10.562   4.296
  333    H    DAR   4           HN       DAR   4  -1.991   7.913   3.668
  334    HA   DAR   4           HA       DAR   4  -2.026   5.941   1.483
  335    HB2  DAR   4           HB1      DAR   4  -0.967   5.453   4.247
  336    HB3  DAR   4           HB2      DAR   4  -1.269   4.270   2.979
  337    HG2  DAR   4           HG1      DAR   4  -3.332   5.877   4.456
  338    HG3  DAR   4           HG2      DAR   4  -2.975   4.163   4.684
  339    HD2  DAR   4           HD1      DAR   4  -3.491   3.953   2.170
  340    HD3  DAR   4           HD2      DAR   4  -4.262   5.532   2.352
  341    HE   DAR   4           HE       DAR   4  -5.306   4.065   4.369
  342   HH11  DAR   4          HH21      DAR   4  -7.668   2.051   2.741
  343   HH12  DAR   4          HH22      DAR   4  -7.107   2.685   4.327
  344   HH21  DAR   4          HH11      DAR   4  -6.514   2.564   0.820
  345   HH22  DAR   4          HH12      DAR   4  -5.133   3.717   0.882
  346    HA   28J   5           HA       28J   5   2.256   6.666   1.525
  347    H22  28J   5           HB       28J   5   2.914   8.054  -0.496
  348    H23  28J   5          HG21      28J   5  -0.072   8.039  -0.923
  349    H24  28J   5          HG22      28J   5   1.137   7.337  -1.997
  350    H25  28J   5          HG23      28J   5   1.073   9.084  -1.764
  351    H26  28J   5          HG11      28J   5   0.884   8.911   1.549
  352    H27  28J   5          HG12      28J   5   1.381  10.046   0.297
  353    H28  28J   5          HD11      28J   5   3.682   9.887   1.011
  354    H29  28J   5          HD12      28J   5   3.249   8.673   2.215
  355    H30  28J   5          HD13      28J   5   2.649  10.324   2.373
  356    H    ILE   6           HN       ILE   6   4.100   6.249   0.095
  357    HA   ILE   6           HA       ILE   6   3.848   3.654  -1.173
  358    HB   ILE   6           HB       ILE   6   3.286   5.087  -2.969
  359   HG12  ILE   6          HG12      ILE   6   6.201   4.343  -3.280
  360   HG13  ILE   6          HG11      ILE   6   4.840   3.245  -3.497
  361   HG21  ILE   6          HG21      ILE   6   4.608   6.984  -3.718
  362   HG22  ILE   6          HG22      ILE   6   5.779   6.713  -2.427
  363   HG23  ILE   6          HG23      ILE   6   4.129   7.194  -2.034
  364   HD11  ILE   6          HD11      ILE   6   5.531   5.633  -5.147
  365   HD12  ILE   6          HD12      ILE   6   4.051   4.683  -5.320
  366   HD13  ILE   6          HD13      ILE   6   5.626   3.932  -5.600
  367    H    SER   7           HN       SER   7   5.378   2.570   0.009
  368    HA   SER   7           HA       SER   7   8.182   3.158  -0.427
  369    HB2  SER   7           HB2      SER   7   8.788   3.377   1.945
  370    HB3  SER   7           HB1      SER   7   7.735   4.703   1.437
  371    HG   SER   7           HG       SER   7   6.011   3.132   2.245
  372    H    DTH   8           HN       DTC   8   9.441   1.835   1.472
  373    HA   DTH   8           HA       DTC   8   8.389  -0.920   1.558
  374    HB   DTH   8           HB       DTC   8   9.508  -1.376   3.730
  375   HG21  DTH   8          HG21      DTC   8   7.398  -0.963   4.430
  376   HG22  DTH   8          HG22      DTC   8   7.250   0.519   3.482
  377   HG23  DTH   8          HG23      DTC   8   8.068   0.546   5.045
  378    H    ALA   9           HN       ALA   9  10.839   0.905   0.332
  379    HA   ALA   9           HA       ALA   9  12.869  -1.019   0.312
  380    HB1  ALA   9           HB1      ALA   9  14.118   0.652  -0.909
  381    HB2  ALA   9           HB2      ALA   9  12.968   1.893  -0.412
  382    HB3  ALA   9           HB3      ALA   9  12.452   0.597  -1.488
  383    H    LEU  10           HN       LEU  10  12.939   2.231   1.401
  384    HA   LEU  10           HA       LEU  10  15.291   1.944   2.974
  385    HB2  LEU  10           HB2      LEU  10  13.390   4.172   3.563
  386    HB3  LEU  10           HB1      LEU  10  15.139   4.188   3.474
  387    HG   LEU  10           HG       LEU  10  14.739   5.343   1.564
  388   HD11  LEU  10          HD11      LEU  10  14.338   2.496   0.699
  389   HD12  LEU  10          HD12      LEU  10  15.860   3.379   0.821
  390   HD13  LEU  10          HD13      LEU  10  14.668   3.840  -0.393
  391   HD21  LEU  10          HD21      LEU  10  12.568   5.788   1.203
  392   HD22  LEU  10          HD22      LEU  10  12.049   4.211   1.800
  393   HD23  LEU  10          HD23      LEU  10  12.601   4.386   0.134
  394    H    ILE  11           HN       ILE  11  11.915   1.635   3.623
  395    HA   ILE  11           HA       ILE  11  12.437   0.727   6.349
  396    HB   ILE  11           HB       ILE  11  10.563   3.086   5.877
  397   HG12  ILE  11          HG12      ILE  11  12.790   3.116   7.897
  398   HG13  ILE  11          HG11      ILE  11  13.167   3.462   6.215
  399   HG21  ILE  11          HG21      ILE  11   9.612   1.504   7.423
  400   HG22  ILE  11          HG22      ILE  11  10.130   2.947   8.292
  401   HG23  ILE  11          HG23      ILE  11  11.104   1.479   8.362
  402   HD11  ILE  11          HD11      ILE  11  11.113   4.963   7.835
  403   HD12  ILE  11          HD12      ILE  11  11.705   5.371   6.225
  404   HD13  ILE  11          HD13      ILE  11  12.785   5.478   7.615
  405    H1   ALA   1           HN       ALA   1 -16.634  -8.219   0.850
  406    HA   ALA   1           HA       ALA   1 -18.690  -7.173  -0.752
  407    HB1  ALA   1           HB1      ALA   1 -17.474  -5.047  -0.365
  408    HB2  ALA   1           HB2      ALA   1 -17.659  -5.493  -2.079
  409    HB3  ALA   1           HB3      ALA   1 -16.115  -5.736  -1.248
  410    H    DGL   2           HN       DGL   2 -16.851  -6.703  -3.127
  411    HA   DGL   2           HA       DGL   2 -15.555  -7.880  -4.577
  412    HB2  DGL   2           HB1      DGL   2 -16.368 -10.450  -4.651
  413    HB3  DGL   2           HB2      DGL   2 -17.204  -9.136  -5.453
  414    HG2  DGL   2           HG1      DGL   2 -19.126  -9.486  -4.277
  415    HG3  DGL   2           HG2      DGL   2 -18.319  -9.407  -2.705
  416    H    LYS   3           HN       LYS   3 -16.640 -11.696  -3.224
  417    HA   LYS   3           HA       LYS   3 -16.515 -13.839  -2.988
  418    HB2  LYS   3           HB2      LYS   3 -17.905 -13.048  -1.012
  419    HB3  LYS   3           HB1      LYS   3 -19.217 -13.990  -1.745
  420    HG2  LYS   3           HG2      LYS   3 -16.557 -15.290  -1.657
  421    HG3  LYS   3           HG1      LYS   3 -17.305 -15.013  -0.094
  422    HD2  LYS   3           HD2      LYS   3 -18.639 -16.812  -0.237
  423    HD3  LYS   3           HD1      LYS   3 -19.262 -16.135  -1.695
  424    HE2  LYS   3           HE2      LYS   3 -16.963 -17.977  -1.737
  425    HE3  LYS   3           HE1      LYS   3 -18.839 -18.219  -2.196
  426    HZ1  LYS   3           HZ1      LYS   3 -18.236 -17.019  -4.268
  427    HZ2  LYS   3           HZ2      LYS   3 -17.842 -18.612  -4.088
  428    HZ3  LYS   3           HZ3      LYS   3 -16.674 -17.470  -3.858
  429    H    DAL   4           HN       DAL   4 -17.104 -12.951  -5.324
  430    HA   DAL   4           HA       DAL   4 -17.204 -13.690  -7.793
  431    HB1  DAL   4           HB1      DAL   4 -19.959 -14.397  -7.378
  432    HB2  DAL   4           HB2      DAL   4 -19.092 -14.212  -8.893
  433    HB3  DAL   4           HB3      DAL   4 -19.381 -12.772  -7.840
  434    H    DAL   5           HN       DAL   5 -15.212 -14.776  -6.737
  435    HA   DAL   5           HA       DAL   5 -13.479 -16.748  -6.660
  436    HB1  DAL   5           HB1      DAL   5 -14.253 -17.391  -8.785
  437    HB2  DAL   5           HB2      DAL   5 -15.901 -16.947  -8.429
  438    HB3  DAL   5           HB3      DAL   5 -15.309 -18.568  -8.020
  439    H1   ALA   1           HN       ALA   1   9.323  -5.874  -9.690
  440    HA   ALA   1           HA       ALA   1   9.388  -4.041 -11.830
  441    HB1  ALA   1           HB1      ALA   1  10.097  -2.512  -9.950
  442    HB2  ALA   1           HB2      ALA   1  11.161  -2.576 -11.374
  443    HB3  ALA   1           HB3      ALA   1  11.580  -3.455  -9.898
  444    H    DGL   2           HN       DGL   2  12.585  -3.991 -11.262
  445    HA   DGL   2           HA       DGL   2  14.322  -5.531 -11.320
  446    HB2  DGL   2           HB1      DGL   2  13.975  -7.090 -13.502
  447    HB3  DGL   2           HB2      DGL   2  14.166  -5.372 -13.761
  448    HG2  DGL   2           HG1      DGL   2  12.113  -5.185 -14.758
  449    HG3  DGL   2           HG2      DGL   2  11.266  -6.094 -13.498
  450    H    LYS   3           HN       LYS   3  12.327  -8.532 -13.719
  451    HA   LYS   3           HA       LYS   3  12.134 -10.439 -14.694
  452    HB2  LYS   3           HB2      LYS   3   9.980  -9.029 -15.510
  453    HB3  LYS   3           HB1      LYS   3  10.569  -9.710 -17.037
  454    HG2  LYS   3           HG2      LYS   3  10.353 -11.366 -14.531
  455    HG3  LYS   3           HG1      LYS   3   8.962 -11.123 -15.574
  456    HD2  LYS   3           HD2      LYS   3   9.694 -13.201 -16.367
  457    HD3  LYS   3           HD1      LYS   3  10.337 -12.009 -17.433
  458    HE2  LYS   3           HE1      LYS   3  12.124 -13.261 -17.473
  459    HE3  LYS   3           HE2      LYS   3  12.388 -12.123 -15.916
  460    HZ1  LYS   3           HZ1      LYS   3  11.797 -14.731 -15.143
  461    HZ2  LYS   3           HZ2      LYS   3  13.138 -13.696 -14.783
  462    HZ3  LYS   3           HZ3      LYS   3  13.119 -14.647 -16.171
  463    H    DAL   4           HN       DAL   4  14.305  -9.452 -14.779
  464    HA   DAL   4           HA       DAL   4  16.764  -9.505 -15.621
  465    HB1  DAL   4           HB1      DAL   4  15.953  -9.359 -18.374
  466    HB2  DAL   4           HB2      DAL   4  17.572  -9.276 -17.703
  467    HB3  DAL   4           HB3      DAL   4  16.388  -7.951 -17.364
  468    H    DAL   5           HN       DAL   5  16.682 -11.266 -14.091
  469    HA   DAL   5           HA       DAL   5  17.196 -13.688 -13.194
  470    HB1  DAL   5           HB1      DAL   5  18.791 -13.753 -14.966
  471    HB2  DAL   5           HB2      DAL   5  17.687 -13.064 -16.126
  472    HB3  DAL   5           HB3      DAL   5  17.654 -14.806 -15.793
  473    H1   ALA   1           HN       ALA   1 -13.647   2.502  -7.350
  474    HA   ALA   1           HA       ALA   1 -13.910   0.203  -8.941
  475    HB1  ALA   1           HB1      ALA   1 -12.503  -0.818  -7.177
  476    HB2  ALA   1           HB2      ALA   1 -14.108  -1.578  -7.323
  477    HB3  ALA   1           HB3      ALA   1 -13.766  -0.437  -6.015
  478    H    DGL   2           HN       DGL   2 -15.917  -1.181  -7.326
  479    HA   DGL   2           HA       DGL   2 -17.955  -0.831  -6.333
  480    HB2  DGL   2           HB1      DGL   2 -19.534   0.427  -7.629
  481    HB3  DGL   2           HB2      DGL   2 -18.430  -0.474  -8.632
  482    HG2  DGL   2           HG1      DGL   2 -17.957   1.390  -9.880
  483    HG3  DGL   2           HG2      DGL   2 -17.293   2.251  -8.482
  484    H    LYS   3           HN       LYS   3 -18.621   3.731  -7.469
  485    HA   LYS   3           HA       LYS   3 -20.189   5.176  -7.073
  486    HB2  LYS   3           HB2      LYS   3 -19.159   5.602  -9.510
  487    HB3  LYS   3           HB1      LYS   3 -20.895   5.720  -9.852
  488    HG2  LYS   3           HG2      LYS   3 -19.564   7.094  -7.519
  489    HG3  LYS   3           HG1      LYS   3 -19.725   7.856  -9.092
  490    HD2  LYS   3           HD2      LYS   3 -21.613   8.815  -8.237
  491    HD3  LYS   3           HD1      LYS   3 -22.219   7.295  -8.781
  492    HE2  LYS   3           HE1      LYS   3 -23.267   7.831  -6.726
  493    HE3  LYS   3           HE2      LYS   3 -22.110   6.265  -6.718
  494    HZ1  LYS   3           HZ1      LYS   3 -21.003   6.949  -4.943
  495    HZ2  LYS   3           HZ2      LYS   3 -22.552   7.387  -4.569
  496    HZ3  LYS   3           HZ3      LYS   3 -21.519   8.530  -5.157
  497    H    DAL   4           HN       DAL   4 -21.044   3.291  -6.193
  498    HA   DAL   4           HA       DAL   4 -23.009   1.792  -5.308
  499    HB1  DAL   4           HB1      DAL   4 -24.648   2.348  -7.604
  500    HB2  DAL   4           HB2      DAL   4 -24.997   1.289  -6.248
  501    HB3  DAL   4           HB3      DAL   4 -23.649   0.884  -7.384
  502    H    DAL   5           HN       DAL   5 -22.649   2.968  -3.416
  503    HA   DAL   5           HA       DAL   5 -23.214   4.441  -1.314
  504    HB1  DAL   5           HB1      DAL   5 -25.512   4.320  -1.711
  505    HB2  DAL   5           HB2      DAL   5 -25.260   4.017  -3.410
  506    HB3  DAL   5           HB3      DAL   5 -25.465   5.679  -2.822
  507    H1   ALA   1           HN       ALA   1  18.271   0.853  -7.013
  508    HA   ALA   1           HA       ALA   1  19.467  -0.967  -8.785
  509    HB1  ALA   1           HB1      ALA   1  17.473  -2.310  -8.456
  510    HB2  ALA   1           HB2      ALA   1  17.608  -1.739 -10.138
  511    HB3  ALA   1           HB3      ALA   1  16.482  -0.965  -9.012
  512    H    DGL   2           HN       DGL   2  17.069  -0.158 -10.785
  513    HA   DGL   2           HA       DGL   2  16.730   1.514 -12.279
  514    HB2  DGL   2           HB1      DGL   2  18.525   2.677 -13.041
  515    HB3  DGL   2           HB2      DGL   2  19.368   1.581 -11.970
  516    HG2  DGL   2           HG1      DGL   2  20.304   3.323 -10.837
  517    HG3  DGL   2           HG2      DGL   2  18.721   3.934 -10.337
  518    H    LYS   3           HN       LYS   3  17.999   5.749 -11.302
  519    HA   LYS   3           HA       LYS   3  17.995   7.690 -12.244
  520    HB2  LYS   3           HB2      LYS   3  20.587   7.302 -11.571
  521    HB3  LYS   3           HB1      LYS   3  20.716   7.886 -13.240
  522    HG2  LYS   3           HG2      LYS   3  18.893   9.181 -11.221
  523    HG3  LYS   3           HG1      LYS   3  20.588   9.626 -11.332
  524    HD2  LYS   3           HD2      LYS   3  20.010  11.251 -12.790
  525    HD3  LYS   3           HD1      LYS   3  19.903   9.907 -13.863
  526    HE2  LYS   3           HE1      LYS   3  17.384  10.497 -12.562
  527    HE3  LYS   3           HE2      LYS   3  18.159  11.553 -14.001
  528    HZ1  LYS   3           HZ1      LYS   3  16.867  10.588 -15.387
  529    HZ2  LYS   3           HZ2      LYS   3  16.150   9.605 -14.153
  530    HZ3  LYS   3           HZ3      LYS   3  17.582   9.148 -14.908
  531    H    DAL   4           HN       DAL   4  17.231   5.451 -13.471
  532    HA   DAL   4           HA       DAL   4  15.902   4.555 -15.495
  533    HB1  DAL   4           HB1      DAL   4  18.070   5.315 -17.227
  534    HB2  DAL   4           HB2      DAL   4  16.633   4.397 -17.644
  535    HB3  DAL   4           HB3      DAL   4  17.839   3.706 -16.488
  536    H    DAL   5           HN       DAL   5  14.364   5.949 -14.244
  537    HA   DAL   5           HA       DAL   5  12.354   7.628 -14.060
  538    HB1  DAL   5           HB1      DAL   5  12.523   6.538 -16.430
  539    HB2  DAL   5           HB2      DAL   5  13.484   7.917 -16.894
  540    HB3  DAL   5           HB3      DAL   5  11.769   8.123 -16.488
  541    H12  P1W 103           H12      TPL  10  -7.917  -5.132   8.109
  542    H11  P1W 103           H11      TPL  10  -7.799  -5.080   6.353
  543    H2   P1W 103           H2       TPL  10 -10.124  -6.672   7.145
  544    H43  P1W 103           H42      TPL  10  -8.646  -9.849   7.783
  545    H42  P1W 103           H41      TPL  10 -10.139  -8.969   7.449
  546    H51  P1W 103           H51      TPL  10  -6.458  -6.977   7.857
  547    H52  P1W 103           H52      TPL  10  -6.343  -8.314   6.715
  548    H53  P1W 103           H53      TPL  10  -6.720  -8.637   8.406
  549    H12  P1W 104           H12      TPL  11  -9.769 -10.471   5.639
  550    H11  P1W 104           H11      TPL  11  -9.430  -8.848   5.042
  551    H2   P1W 104           H2       TPL  11  -7.244 -10.745   6.020
  552    H43  P1W 104           H42      TPL  11  -5.680 -10.237   2.627
  553    H42  P1W 104           H41      TPL  11  -5.090  -9.804   4.234
  554    H51  P1W 104           H51      TPL  11  -9.028  -9.573   3.008
  555    H52  P1W 104           H52      TPL  11  -7.590  -9.640   1.989
  556    H53  P1W 104           H53      TPL  11  -7.897  -8.221   2.986
  557    H12  P1W 105           H12      TPL  11   7.552 -12.855   0.399
  558    H11  P1W 105           H11      TPL  11   6.003 -13.517  -0.110
  559    H2   P1W 105           H2       TPL  11   7.836 -14.621   1.867
  560    H43  P1W 105           H42      TPL  11   5.542 -17.319   2.470
  561    H42  P1W 105           H41      TPL  11   6.984 -17.886   1.627
  562    H51  P1W 105           H51      TPL  11   4.283 -16.248   0.720
  563    H52  P1W 105           H52      TPL  11   5.353 -16.987  -0.471
  564    H53  P1W 105           H53      TPL  11   5.074 -15.247  -0.497
  565    H12  P1W 106           H12      TPL  12  -4.542 -12.079   3.970
  566    H11  P1W 106           H11      TPL  12  -5.973 -12.077   4.997
  567    H2   P1W 106           H2       TPL  12  -6.549 -12.253   2.084
  568    H43  P1W 106           H43      TPL  12  -7.180 -14.463   1.169
  569    H41  P1W 106           H41      TPL  12  -8.423 -14.855   2.364
  570    H42  P1W 106           H42      TPL  12  -7.007 -15.890   2.192
  571    H51  P1W 106           H51      TPL  12  -5.176 -14.912   4.525
  572    H52  P1W 106           H52      TPL  12  -6.706 -15.782   4.431
  573    H53  P1W 106           H53      TPL  12  -6.603 -14.279   5.348
  574    H12  P1W 107           H12      TPL  12   7.801 -17.477   3.759
  575    H11  P1W 107           H11      TPL  12   8.180 -15.969   2.930
  576    H2   P1W 107           H2       TPL  12   5.649 -15.455   3.908
  577    H43  P1W 107           H43      TPL  12   5.481 -14.039   5.973
  578    H41  P1W 107           H41      TPL  12   6.717 -14.212   7.228
  579    H42  P1W 107           H42      TPL  12   5.445 -15.423   7.065
  580    H51  P1W 107           H51      TPL  12   8.889 -15.104   6.367
  581    H52  P1W 107           H52      TPL  12   8.826 -16.578   5.401
  582    H53  P1W 107           H53      TPL  12   8.151 -16.563   7.031
  583    H12  P1W 103           H12      TPL  10   9.416 -10.720  -3.994
  584    H11  P1W 103           H11      TPL  10   7.983 -11.489  -4.657
  585    H2   P1W 103           H2       TPL  10   9.578 -12.659  -2.692
  586    H43  P1W 103           H42      TPL  10   7.167 -14.979  -1.717
  587    H42  P1W 103           H41      TPL  10   8.727 -14.346  -1.189
  588    H51  P1W 103           H51      TPL  10   6.038 -12.999  -3.816
  589    H52  P1W 103           H52      TPL  10   5.941 -11.633  -2.708
  590    H53  P1W 103           H53      TPL  10   5.438 -13.240  -2.172
  591    H12  P1W 103           H12      TPL  10 -10.049  10.781  -2.706
  592    H11  P1W 103           H11      TPL  10 -10.760  10.658  -4.316
  593    H2   P1W 103           H2       TPL  10  -8.132   9.383  -4.252
  594    H43  P1W 103           H42      TPL  10  -5.883  11.533  -4.323
  595    H42  P1W 103           H41      TPL  10  -6.493  10.462  -5.586
  596    H51  P1W 103           H51      TPL  10  -9.182  12.765  -3.221
  597    H52  P1W 103           H52      TPL  10  -8.994  13.301  -4.889
  598    H53  P1W 103           H53      TPL  10  -7.649  13.468  -3.761
  599    H12  P1W 103           H12      TPL  10   7.882   3.362  -2.075
  600    H11  P1W 103           H11      TPL  10   9.325   2.893  -2.987
  601    H2   P1W 103           H2       TPL  10   8.546   5.808  -2.573
  602    H43  P1W 103           H42      TPL  10   7.606   6.896  -4.955
  603    H42  P1W 103           H41      TPL  10   9.291   7.120  -4.500
  604    H51  P1W 103           H51      TPL  10   8.142   3.023  -4.874
  605    H52  P1W 103           H52      TPL  10   9.318   3.721  -5.989
  606    H53  P1W 103           H53      TPL  10   7.613   4.153  -6.128
  607    H12  P1W 104           H12      TPL  11  -6.602  13.476  -5.616
  608    H11  P1W 104           H11      TPL  11  -5.483  12.485  -6.548
  609    H2   P1W 104           H2       TPL  11  -8.184  11.573  -7.087
  610    H43  P1W 104           H42      TPL  11  -8.796  14.165  -9.784
  611    H42  P1W 104           H41      TPL  11  -8.663  12.406  -9.739
  612    H51  P1W 104           H51      TPL  11  -7.839  15.499  -7.624
  613    H52  P1W 104           H52      TPL  11  -6.840  15.057  -9.007
  614    H53  P1W 104           H53      TPL  11  -6.273  14.733  -7.373
  615    H12  P1W 105           H12      TPL  11   8.674   5.610  -6.980
  616    H11  P1W 105           H11      TPL  11   8.503   7.365  -7.008
  617    H2   P1W 105           H2       TPL  11  10.995   5.760  -6.840
  618    H43  P1W 105           H42      TPL  11  12.934   8.763  -6.354
  619    H42  P1W 105           H41      TPL  11  13.039   7.037  -6.724
  620    H51  P1W 105           H51      TPL  11  11.017   9.982  -6.816
  621    H52  P1W 105           H52      TPL  11   9.564   9.209  -6.180
  622    H53  P1W 105           H53      TPL  11   9.849   9.257  -7.918
  623    H12  P1W 106           H12      TPL  12 -10.963  13.021  -9.379
  624    H11  P1W 106           H11      TPL  12 -10.313  12.385  -7.871
  625    H2   P1W 106           H2       TPL  12 -10.453  15.367  -8.441
  626    H43  P1W 106           H43      TPL  12 -11.902  16.624  -6.784
  627    H41  P1W 106           H41      TPL  12 -10.851  16.206  -5.425
  628    H42  P1W 106           H42      TPL  12 -12.549  15.736  -5.405
  629    H51  P1W 106           H51      TPL  12 -12.292  13.629  -5.034
  630    H52  P1W 106           H52      TPL  12 -11.011  12.660  -5.759
  631    H53  P1W 106           H53      TPL  12 -12.579  12.787  -6.558
  632    H12  P1W 107           H12      TPL  12  12.364   7.672  -9.105
  633    H11  P1W 107           H11      TPL  12  12.696   9.337  -8.638
  634    H2   P1W 107           H2       TPL  12  15.032   8.901  -8.377
  635    H43  P1W 107           H43      TPL  12  16.675   5.778  -9.647
  636    H41  P1W 107           H41      TPL  12  16.990   7.207  -8.654
  637    H42  P1W 107           H42      TPL  12  16.723   7.377 -10.388
  638    H51  P1W 107           H51      TPL  12  13.568   5.387  -8.896
  639    H52  P1W 107           H52      TPL  12  14.739   5.073 -10.176
  640    H53  P1W 107           H53      TPL  12  13.368   6.142 -10.477
  641    H1   MUB 101           H1       NAM   6 -12.843  -5.394   2.293
  642    H2   MUB 101           H2       NAM   6 -14.549  -5.718   3.652
  643    HN2  MUB 101           HN2      NAM   6 -14.067  -6.391   5.724
  644    H81  MUB 101           H81      NAM   6 -13.378  -9.761   6.868
  645    H82  MUB 101           H82      NAM   6 -14.287  -8.332   7.336
  646    H83  MUB 101           H83      NAM   6 -12.543  -8.206   7.155
  647    H3   MUB 101           H3       NAM   6 -14.201  -8.814   3.159
  648    H9   MUB 101           H9       NAM   6 -16.001  -6.343   2.649
  649   H111  MUB 101          H111      NAM   6 -17.772  -6.724   5.118
  650   H112  MUB 101          H112      NAM   6 -17.844  -5.304   4.117
  651   H113  MUB 101          H113      NAM   6 -16.315  -5.667   4.838
  652    H4A  MUB 101           H4       NAM   6 -15.250  -7.103   0.918
  653    H5   MUB 101           H5       NAM   6 -12.665  -8.406   0.390
  654    H61  MUB 101           H61      NAM   6 -11.822  -6.405  -0.332
  655    H62  MUB 101           H62      NAM   6 -13.095  -5.405   0.465
  656    HO6  MUB 101           HO6      NAM   6 -13.658  -7.549  -1.466
  657    H1   NAG 102           H1       NAG   7 -15.150 -10.226   2.280
  658    H2   NAG 102           H2       NAG   7 -14.898 -11.259  -0.607
  659    H3   NAG 102           H3       NAG   7 -15.161 -12.960   1.883
  660    H4   NAG 102           H4       NAG   7 -12.656 -12.798   0.256
  661    H5   NAG 102           H5       NAG   7 -13.199 -11.413   3.087
  662    H61  NAG 102           H61      NAG   7 -10.830 -12.192   2.680
  663    H62  NAG 102           H62      NAG   7 -11.138 -10.515   3.110
  664    H81  NAG 102           H81      NAG   7 -19.330 -11.362   2.178
  665    H82  NAG 102           H82      NAG   7 -19.184 -12.136   0.605
  666    H83  NAG 102           H83      NAG   7 -19.102 -10.379   0.705
  667    HN2  NAG 102           HN2      NAG   7 -16.962 -11.100  -0.546
  668    HO3  NAG 102           HO3      NAG   7 -15.835 -13.658  -0.214
  669    HO4  NAG 102           HO4      NAG   7 -13.115 -14.577   1.525
  670    HO6  NAG 102           HO6      NAG   7 -11.231 -10.440   0.590
  671    H1   MUB 101           H1       NAM   6  10.110  -6.160  -5.596
  672    H2   MUB 101           H2       NAM   6   7.805  -5.662  -5.584
  673    HN2  MUB 101           HN2      NAM   6   6.585  -7.119  -4.330
  674    H81  MUB 101           H81      NAM   6   5.864  -9.543  -3.868
  675    H82  MUB 101           H82      NAM   6   5.399 -10.374  -5.347
  676    H83  MUB 101           H83      NAM   6   4.617  -8.848  -4.947
  677    H3   MUB 101           H3       NAM   6   7.539  -8.034  -7.532
  678    H9   MUB 101           H9       NAM   6   8.590  -5.069  -7.740
  679   H111  MUB 101          H111      NAM   6   5.994  -4.315  -6.505
  680   H112  MUB 101          H112      NAM   6   6.887  -2.977  -7.166
  681   H113  MUB 101          H113      NAM   6   7.714  -3.966  -6.013
  682    H4A  MUB 101           H4       NAM   6   9.898  -6.197  -7.980
  683    H5   MUB 101           H5       NAM   6  10.076  -9.210  -7.487
  684    H61  MUB 101           H61      NAM   6  12.028  -8.809  -8.122
  685    H62  MUB 101           H62      NAM   6  12.376  -8.373  -6.401
  686    HO6  MUB 101           HO6      NAM   6  12.267  -6.851  -8.765
  687    H1   NAG 102           H1       NAG   7   7.722  -8.434  -9.317
  688    H2   NAG 102           H2       NAG   7   9.701  -8.717 -11.667
  689    H3   NAG 102           H3       NAG   7   6.935  -9.885 -11.463
  690    H4   NAG 102           H4       NAG   7   9.424 -11.549 -11.396
  691    H5   NAG 102           H5       NAG   7   7.548 -10.787  -8.925
  692    H61  NAG 102           H61      NAG   7  10.086 -12.393  -8.937
  693    H62  NAG 102           H62      NAG   7   8.451 -12.972  -8.703
  694    H81  NAG 102           H81      NAG   7   5.475  -5.712 -12.019
  695    H82  NAG 102           H82      NAG   7   6.541  -6.012 -13.386
  696    H83  NAG 102           H83      NAG   7   7.145  -5.086 -12.014
  697    HN2  NAG 102           HN2      NAG   7   8.859  -6.945 -12.259
  698    HO3  NAG 102           HO3      NAG   7   7.980  -9.376 -13.473
  699    HO4  NAG 102           HO4      NAG   7   7.430 -12.365 -12.054
  700    HO6  NAG 102           HO6      NAG   7   8.821 -10.928  -7.066
  701    H1   MUB 101           H1       NAM   6 -12.122   4.320  -3.076
  702    H2   MUB 101           H2       NAM   6 -10.696   4.045  -4.744
  703    HN2  MUB 101           HN2      NAM   6  -9.492   5.990  -5.129
  704    H81  MUB 101           H81      NAM   6  -9.709   8.648  -5.515
  705    H82  MUB 101           H82      NAM   6 -10.700   8.940  -6.942
  706    H83  MUB 101           H83      NAM   6  -9.328   7.844  -7.066
  707    H3   MUB 101           H3       NAM   6 -12.730   5.658  -6.507
  708    H9   MUB 101           H9       NAM   6 -11.635   2.746  -6.282
  709   H111  MUB 101          H111      NAM   6  -8.918   3.475  -7.449
  710   H112  MUB 101          H112      NAM   6  -9.235   1.872  -6.858
  711   H113  MUB 101          H113      NAM   6  -9.456   3.170  -5.735
  712    H4A  MUB 101           H4       NAM   6 -13.383   2.788  -5.865
  713    H5   MUB 101           H5       NAM   6 -15.223   4.728  -4.792
  714    H61  MUB 101           H61      NAM   6 -15.283   3.651  -2.901
  715    H62  MUB 101           H62      NAM   6 -13.498   3.242  -2.841
  716    HO6  MUB 101           HO6      NAM   6 -15.637   2.106  -4.560
  717    H1   NAG 102           H1       NAG   7 -13.920   5.531  -7.789
  718    H2   NAG 102           H2       NAG   7 -16.608   4.199  -8.439
  719    H3   NAG 102           H3       NAG   7 -15.382   6.658  -9.749
  720    H4   NAG 102           H4       NAG   7 -17.840   6.695  -8.038
  721    H5   NAG 102           H5       NAG   7 -14.899   7.656  -7.240
  722    H61  NAG 102           H61      NAG   7 -17.136   7.428  -5.285
  723    H62  NAG 102           H62      NAG   7 -16.973   8.839  -6.293
  724    H81  NAG 102           H81      NAG   7 -14.151   3.216 -12.120
  725    H82  NAG 102           H82      NAG   7 -13.203   2.454 -10.848
  726    H83  NAG 102           H83      NAG   7 -12.522   3.826 -11.719
  727    HN2  NAG 102           HN2      NAG   7 -15.467   3.049  -9.764
  728    HO3  NAG 102           HO3      NAG   7 -16.843   5.279 -10.901
  729    HO4  NAG 102           HO4      NAG   7 -17.491   8.271  -9.565
  730    HO6  NAG 102           HO6      NAG   7 -14.917   7.568  -4.794
  731    H1   MUB 101           H1       NAM   6  13.536   1.235  -4.729
  732    H2   MUB 101           H2       NAM   6  15.233  -0.028  -4.348
  733    HN2  MUB 101           HN2      NAM   6  15.752  -0.066  -2.164
  734    H81  MUB 101           H81      NAM   6  17.600   2.419  -0.238
  735    H82  MUB 101           H82      NAM   6  17.706   0.679  -0.472
  736    H83  MUB 101           H83      NAM   6  16.159   1.384  -0.010
  737    H3   MUB 101           H3       NAM   6  17.054   2.576  -4.321
  738    H9   MUB 101           H9       NAM   6  16.908  -0.379  -5.285
  739   H111  MUB 101          H111      NAM   6  18.395  -1.415  -2.830
  740   H112  MUB 101          H112      NAM   6  17.709  -2.505  -3.999
  741   H113  MUB 101          H113      NAM   6  16.622  -1.389  -3.250
  742    H4A  MUB 101           H4       NAM   6  16.719   0.869  -6.774
  743    H5   MUB 101           H5       NAM   6  15.237   3.306  -7.072
  744    H61  MUB 101           H61      NAM   6  13.189   2.043  -6.978
  745    H62  MUB 101           H62      NAM   6  14.060   0.540  -6.542
  746    HO6  MUB 101           HO6      NAM   6  15.052   2.054  -8.795
  747    H1   NAG 102           H1       NAG   7  18.349   3.412  -5.235
  748    H2   NAG 102           H2       NAG   7  18.853   4.600  -8.049
  749    H3   NAG 102           H3       NAG   7  19.978   5.477  -5.367
  750    H4   NAG 102           H4       NAG   7  18.044   7.076  -7.004
  751    H5   NAG 102           H5       NAG   7  17.391   5.445  -4.336
  752    H61  NAG 102           H61      NAG   7  15.498   6.939  -6.140
  753    H62  NAG 102           H62      NAG   7  16.091   7.425  -4.554
  754    H81  NAG 102           H81      NAG   7  22.401   1.679  -5.528
  755    H82  NAG 102           H82      NAG   7  22.781   2.570  -6.997
  756    H83  NAG 102           H83      NAG   7  21.653   1.219  -7.082
  757    HN2  NAG 102           HN2      NAG   7  20.400   3.222  -8.121
  758    HO3  NAG 102           HO3      NAG   7  21.022   6.807  -6.615
  759    HO4  NAG 102           HO4      NAG   7  19.324   8.148  -5.611
  760    HO6  NAG 102           HO6      NAG   7  14.853   4.937  -5.153
  Start of MODEL   14
    1    H    ZAE   1           HN1      DPH   1   8.527 -16.598   0.591
    2    HA   ZAE   1           HA       DPH   1   8.353 -15.478  -1.527
    3    HB2  ZAE   1           HB1      DPH   1   9.673 -13.401   0.151
    4    HB3  ZAE   1           HB2      DPH   1  10.293 -15.046   0.256
    5    HD1  ZAE   1           HD1      DPH   1  10.644 -16.200  -2.127
    6    HD2  ZAE   1           HD2      DPH   1  10.621 -11.999  -1.422
    7    HE1  ZAE   1           HE1      DPH   1  11.955 -15.849  -4.180
    8    HE2  ZAE   1           HE2      DPH   1  11.932 -11.645  -3.475
    9    HZ   ZAE   1           HZ       DPH   1  12.603 -13.570  -4.854
   10    H11  ZAE   1          HN11      DPH   1   7.612 -15.783   2.585
   11    H12  ZAE   1          HN12      DPH   1   7.107 -14.304   1.766
   12    H13  ZAE   1          HN13      DPH   1   8.823 -14.644   1.991
   13    HN2  ZAE   1           HN2      DPH   1   6.925 -16.160   0.270
   14    H    ILE   2           HN       ILE   2   6.059 -14.904  -1.730
   15    HA   ILE   2           HA       ILE   2   5.801 -12.024  -1.871
   16    HB   ILE   2           HB       ILE   2   4.211 -14.339  -2.971
   17   HG12  ILE   2          HG12      ILE   2   5.194 -11.904  -4.434
   18   HG13  ILE   2          HG11      ILE   2   6.246 -13.279  -4.119
   19   HG21  ILE   2          HG21      ILE   2   3.294 -11.467  -3.016
   20   HG22  ILE   2          HG22      ILE   2   2.554 -12.778  -2.099
   21   HG23  ILE   2          HG23      ILE   2   2.537 -12.816  -3.862
   22   HD11  ILE   2          HD11      ILE   2   5.199 -13.288  -6.363
   23   HD12  ILE   2          HD12      ILE   2   3.632 -13.485  -5.587
   24   HD13  ILE   2          HD13      ILE   2   4.861 -14.730  -5.402
   25    H    SER   3           HN       SER   3   4.778 -10.841  -0.411
   26    HA   SER   3           HA       SER   3   2.559 -11.933   1.100
   27    HB2  SER   3           HB2      SER   3   4.948 -10.762   2.521
   28    HB3  SER   3           HB1      SER   3   3.427 -11.247   3.271
   29    HG   SER   3           HG       SER   3   4.368 -13.276   1.825
   30    H    DAR   4           HN       DAR   4   1.158 -10.468   1.867
   31    HA   DAR   4           HA       DAR   4   1.473  -7.754   0.813
   32    HB2  DAR   4           HB1      DAR   4   0.425  -8.469   3.559
   33    HB3  DAR   4           HB2      DAR   4   0.469  -6.853   2.860
   34    HG2  DAR   4           HG1      DAR   4   3.070  -7.683   2.615
   35    HG3  DAR   4           HG2      DAR   4   2.572  -8.371   4.171
   36    HD2  DAR   4           HD1      DAR   4   1.675  -5.625   3.635
   37    HD3  DAR   4           HD2      DAR   4   3.414  -5.820   3.806
   38    HE   DAR   4           HE       DAR   4   1.691  -6.891   5.905
   39   HH11  DAR   4          HH21      DAR   4   3.423  -4.831   8.196
   40   HH12  DAR   4          HH22      DAR   4   2.208  -6.143   8.029
   41   HH21  DAR   4          HH11      DAR   4   4.392  -3.904   6.312
   42   HH22  DAR   4          HH12      DAR   4   4.020  -4.595   4.696
   43    HA   28J   5           HA       28J   5  -2.758  -8.486   0.198
   44    H22  28J   5           HB       28J   5  -1.622  -9.683  -1.810
   45    H23  28J   5          HG21      28J   5  -3.835 -10.231  -1.356
   46    H24  28J   5          HG22      28J   5  -3.894  -9.670  -3.028
   47    H25  28J   5          HG23      28J   5  -4.415  -8.606  -1.720
   48    H26  28J   5          HG11      28J   5  -1.811  -6.975  -2.829
   49    H27  28J   5          HG12      28J   5  -2.774  -8.067  -3.818
   50    H28  28J   5          HD11      28J   5   0.152  -8.368  -3.182
   51    H29  28J   5          HD12      28J   5  -0.549  -7.866  -4.720
   52    H30  28J   5          HD13      28J   5  -0.812  -9.505  -4.126
   53    H    ILE   6           HN       ILE   6  -4.493  -7.263  -0.277
   54    HA   ILE   6           HA       ILE   6  -4.025  -4.398  -0.525
   55    HB   ILE   6           HB       ILE   6  -4.220  -5.091  -2.782
   56   HG12  ILE   6          HG12      ILE   6  -6.973  -4.023  -2.134
   57   HG13  ILE   6          HG11      ILE   6  -5.520  -3.027  -2.228
   58   HG21  ILE   6          HG21      ILE   6  -6.371  -6.285  -3.587
   59   HG22  ILE   6          HG22      ILE   6  -6.486  -6.825  -1.911
   60   HG23  ILE   6          HG23      ILE   6  -5.053  -7.205  -2.864
   61   HD11  ILE   6          HD11      ILE   6  -5.259  -3.614  -4.534
   62   HD12  ILE   6          HD12      ILE   6  -6.868  -2.961  -4.238
   63   HD13  ILE   6          HD13      ILE   6  -6.639  -4.696  -4.436
   64    H    SER   7           HN       SER   7  -5.096  -3.494   1.230
   65    HA   SER   7           HA       SER   7  -7.895  -4.155   1.674
   66    HB2  SER   7           HB2      SER   7  -7.368  -4.367   4.239
   67    HB3  SER   7           HB1      SER   7  -7.223  -5.781   3.197
   68    HG   SER   7           HG       SER   7  -4.910  -4.736   3.038
   69    H    DTH   8           HN       DTC   8  -8.655  -2.857   3.771
   70    HA   DTH   8           HA       DTC   8  -7.786  -0.069   3.329
   71    HB   DTH   8           HB       DTC   8  -7.905   0.527   5.699
   72   HG21  DTH   8          HG21      DTC   8  -5.755  -0.233   4.795
   73   HG22  DTH   8          HG22      DTC   8  -6.165  -1.908   5.171
   74   HG23  DTH   8          HG23      DTC   8  -5.940  -0.739   6.472
   75    H    ALA   9           HN       ALA   9 -10.316  -2.164   3.291
   76    HA   ALA   9           HA       ALA   9 -12.400  -0.238   3.535
   77    HB1  ALA   9           HB1      ALA   9 -12.430  -3.238   3.223
   78    HB2  ALA   9           HB2      ALA   9 -12.618  -2.049   1.943
   79    HB3  ALA   9           HB3      ALA   9 -13.864  -2.220   3.178
   80    H    LEU  10           HN       LEU  10 -11.675  -3.254   4.954
   81    HA   LEU  10           HA       LEU  10 -13.437  -2.877   7.215
   82    HB2  LEU  10           HB2      LEU  10 -11.334  -4.985   6.692
   83    HB3  LEU  10           HB1      LEU  10 -12.320  -4.944   8.139
   84    HG   LEU  10           HG       LEU  10 -14.343  -5.270   6.812
   85   HD11  LEU  10          HD11      LEU  10 -12.686  -5.746   4.388
   86   HD12  LEU  10          HD12      LEU  10 -13.211  -4.112   4.795
   87   HD13  LEU  10          HD13      LEU  10 -14.405  -5.380   4.524
   88   HD21  LEU  10          HD21      LEU  10 -13.986  -7.551   6.129
   89   HD22  LEU  10          HD22      LEU  10 -13.077  -7.244   7.610
   90   HD23  LEU  10          HD23      LEU  10 -12.243  -7.294   6.055
   91    H    ILE  11           HN       ILE  11  -9.941  -2.870   6.740
   92    HA   ILE  11           HA       ILE  11  -9.750  -1.338   9.278
   93    HB   ILE  11           HB       ILE  11  -7.739  -3.476   8.516
   94   HG12  ILE  11          HG12      ILE  11  -9.817  -3.589  10.721
   95   HG13  ILE  11          HG11      ILE  11  -9.936  -4.469   9.203
   96   HG21  ILE  11          HG21      ILE  11  -8.100  -1.829  11.014
   97   HG22  ILE  11          HG22      ILE  11  -6.836  -1.619   9.800
   98   HG23  ILE  11          HG23      ILE  11  -6.884  -3.086  10.779
   99   HD11  ILE  11          HD11      ILE  11  -9.161  -5.922  10.968
  100   HD12  ILE  11          HD12      ILE  11  -7.822  -4.829  11.317
  101   HD13  ILE  11          HD13      ILE  11  -7.881  -5.688   9.778
  102    H    ZAE   1           HN1      DPH   1  -8.930   4.237   2.655
  103    HA   ZAE   1           HA       DPH   1  -9.093   3.469   0.363
  104    HB2  ZAE   1           HB1      DPH   1 -10.005   1.437   2.430
  105    HB3  ZAE   1           HB2      DPH   1 -10.915   2.855   1.906
  106    HD1  ZAE   1           HD1      DPH   1 -10.500   2.785  -0.976
  107    HD2  ZAE   1           HD2      DPH   1 -11.238  -0.405   1.737
  108    HE1  ZAE   1           HE1      DPH   1 -11.415   1.438  -2.783
  109    HE2  ZAE   1           HE2      DPH   1 -12.178  -1.751  -0.098
  110    HZ   ZAE   1           HZ       DPH   1 -12.269  -0.826  -2.377
  111    H11  ZAE   1          HN11      DPH   1  -7.332   1.791   3.032
  112    H12  ZAE   1          HN12      DPH   1  -8.883   2.161   3.784
  113    H13  ZAE   1          HN13      DPH   1  -7.457   3.104   4.204
  114    HN2  ZAE   1           HN2      DPH   1  -7.402   3.994   1.960
  115    H    ILE   2           HN       ILE   2  -7.493   2.707  -1.033
  116    HA   ILE   2           HA       ILE   2  -6.890  -0.115  -0.717
  117    HB   ILE   2           HB       ILE   2  -5.845   1.741  -2.855
  118   HG12  ILE   2          HG12      ILE   2  -8.217  -0.129  -3.046
  119   HG13  ILE   2          HG11      ILE   2  -8.367   1.597  -2.737
  120   HG21  ILE   2          HG21      ILE   2  -4.550  -0.303  -2.624
  121   HG22  ILE   2          HG22      ILE   2  -5.486  -0.338  -4.120
  122   HG23  ILE   2          HG23      ILE   2  -6.025  -1.264  -2.720
  123   HD11  ILE   2          HD11      ILE   2  -7.175   1.993  -4.894
  124   HD12  ILE   2          HD12      ILE   2  -8.753   1.229  -5.058
  125   HD13  ILE   2          HD13      ILE   2  -7.289   0.260  -5.199
  126    H    SER   3           HN       SER   3  -5.332  -0.871   0.355
  127    HA   SER   3           HA       SER   3  -2.728   0.356   0.318
  128    HB2  SER   3           HB2      SER   3  -4.111  -0.196   2.927
  129    HB3  SER   3           HB1      SER   3  -2.421   0.282   2.735
  130    HG   SER   3           HG       SER   3  -4.081   1.985   1.452
  131    H    DAR   4           HN       DAR   4  -1.187  -0.969   0.470
  132    HA   DAR   4           HA       DAR   4  -1.781  -3.800   0.600
  133    HB2  DAR   4           HB1      DAR   4   0.254  -2.453   2.373
  134    HB3  DAR   4           HB2      DAR   4   0.176  -4.186   2.110
  135    HG2  DAR   4           HG1      DAR   4  -2.390  -3.454   2.951
  136    HG3  DAR   4           HG2      DAR   4  -1.275  -2.538   3.963
  137    HD2  DAR   4           HD1      DAR   4  -0.459  -5.305   3.631
  138    HD3  DAR   4           HD2      DAR   4  -2.047  -5.153   4.374
  139    HE   DAR   4           HE       DAR   4   0.327  -3.768   5.454
  140   HH11  DAR   4          HH21      DAR   4  -0.688  -4.795   8.691
  141   HH12  DAR   4          HH22      DAR   4   0.537  -3.860   7.759
  142   HH21  DAR   4          HH11      DAR   4  -2.391  -5.876   7.606
  143   HH22  DAR   4          HH12      DAR   4  -2.541  -5.757   5.815
  144    HA   28J   5           HA       28J   5   2.013  -3.516  -1.671
  145    H22  28J   5           HB       28J   5   0.017  -3.063  -3.213
  146    H23  28J   5          HG21      28J   5   2.693  -4.075  -4.047
  147    H24  28J   5          HG22      28J   5   2.024  -2.449  -4.170
  148    H25  28J   5          HG23      28J   5   1.498  -3.707  -5.289
  149    H26  28J   5          HG11      28J   5  -0.428  -5.709  -3.072
  150    H27  28J   5          HG12      28J   5   0.603  -5.678  -4.495
  151    H28  28J   5          HD11      28J   5  -0.928  -4.138  -5.593
  152    H29  28J   5          HD12      28J   5  -1.969  -4.157  -4.169
  153    H30  28J   5          HD13      28J   5  -1.735  -5.629  -5.109
  154    H    ILE   6           HN       ILE   6   3.699  -4.700  -2.212
  155    HA   ILE   6           HA       ILE   6   3.476  -7.590  -1.861
  156    HB   ILE   6           HB       ILE   6   3.000  -7.589  -4.141
  157   HG12  ILE   6          HG12      ILE   6   5.993  -7.989  -4.168
  158   HG13  ILE   6          HG11      ILE   6   4.870  -9.141  -3.457
  159   HG21  ILE   6          HG21      ILE   6   4.801  -5.275  -4.355
  160   HG22  ILE   6          HG22      ILE   6   3.323  -5.648  -5.240
  161   HG23  ILE   6          HG23      ILE   6   4.850  -6.382  -5.726
  162   HD11  ILE   6          HD11      ILE   6   5.577  -9.782  -5.684
  163   HD12  ILE   6          HD12      ILE   6   4.925  -8.274  -6.328
  164   HD13  ILE   6          HD13      ILE   6   3.854  -9.475  -5.608
  165    H    SER   7           HN       SER   7   5.057  -8.335  -0.666
  166    HA   SER   7           HA       SER   7   7.766  -7.435  -0.999
  167    HB2  SER   7           HB2      SER   7   7.315  -6.991   1.755
  168    HB3  SER   7           HB1      SER   7   7.764  -5.800   0.534
  169    HG   SER   7           HG       SER   7   5.127  -6.403   0.414
  170    H    DTH   8           HN       DTC   8   9.229  -8.536   0.472
  171    HA   DTH   8           HA       DTC   8   8.180 -11.164   1.285
  172    HB   DTH   8           HB       DTC   8   9.503 -11.163   3.370
  173   HG21  DTH   8          HG21      DTC   8   7.198 -10.362   3.475
  174   HG22  DTH   8          HG22      DTC   8   7.721  -8.718   3.104
  175   HG23  DTH   8          HG23      DTC   8   8.207  -9.482   4.619
  176    H    ALA   9           HN       ALA   9  10.677  -9.054   0.103
  177    HA   ALA   9           HA       ALA   9  12.578 -11.076  -0.435
  178    HB1  ALA   9           HB1      ALA   9  11.564  -8.455  -1.506
  179    HB2  ALA   9           HB2      ALA   9  12.121  -9.841  -2.424
  180    HB3  ALA   9           HB3      ALA   9  13.289  -8.743  -1.710
  181    H    LEU  10           HN       LEU  10  13.053  -7.680   0.024
  182    HA   LEU  10           HA       LEU  10  15.247  -7.619   1.611
  183    HB2  LEU  10           HB2      LEU  10  13.361  -5.536   2.363
  184    HB3  LEU  10           HB1      LEU  10  14.918  -5.401   1.573
  185    HG   LEU  10           HG       LEU  10  13.291  -4.440   0.138
  186   HD11  LEU  10          HD11      LEU  10  15.061  -6.169  -0.659
  187   HD12  LEU  10          HD12      LEU  10  13.884  -5.486  -1.783
  188   HD13  LEU  10          HD13      LEU  10  13.636  -7.099  -1.114
  189   HD21  LEU  10          HD21      LEU  10  11.367  -5.776   1.193
  190   HD22  LEU  10          HD22      LEU  10  11.757  -7.012  -0.000
  191   HD23  LEU  10          HD23      LEU  10  11.274  -5.400  -0.524
  192    H    ILE  11           HN       ILE  11  12.002  -7.973   2.518
  193    HA   ILE  11           HA       ILE  11  12.693  -8.677   5.251
  194    HB   ILE  11           HB       ILE  11  12.233  -6.119   5.202
  195   HG12  ILE  11          HG12      ILE  11  10.484  -7.733   7.076
  196   HG13  ILE  11          HG11      ILE  11  12.227  -7.583   7.273
  197   HG21  ILE  11          HG21      ILE  11   9.418  -7.165   4.914
  198   HG22  ILE  11          HG22      ILE  11  10.293  -6.160   3.757
  199   HG23  ILE  11          HG23      ILE  11   9.854  -5.508   5.336
  200   HD11  ILE  11          HD11      ILE  11  10.931  -6.049   8.714
  201   HD12  ILE  11          HD12      ILE  11  10.301  -5.264   7.266
  202   HD13  ILE  11          HD13      ILE  11  12.027  -5.207   7.618
  203    H    ZAE   1           HN1      DPH   1   8.745  -4.661   0.457
  204    HA   ZAE   1           HA       DPH   1   9.016  -3.568  -1.654
  205    HB2  ZAE   1           HB1      DPH   1   9.484  -1.399   0.372
  206    HB3  ZAE   1           HB2      DPH   1  10.355  -2.924   0.516
  207    HD1  ZAE   1           HD1      DPH   1  11.788  -3.690  -1.378
  208    HD2  ZAE   1           HD2      DPH   1  10.109   0.223  -1.210
  209    HE1  ZAE   1           HE1      DPH   1  13.433  -2.919  -3.053
  210    HE2  ZAE   1           HE2      DPH   1  11.742   1.003  -2.884
  211    HZ   ZAE   1           HZ       DPH   1  13.407  -0.567  -3.809
  212    H11  ZAE   1          HN11      DPH   1   7.248  -3.916   2.135
  213    H12  ZAE   1          HN12      DPH   1   6.848  -2.507   1.157
  214    H13  ZAE   1          HN13      DPH   1   8.464  -2.671   1.836
  215    HN2  ZAE   1           HN2      DPH   1   7.230  -4.415  -0.271
  216    H    ILE   2           HN       ILE   2   6.373  -3.417  -1.911
  217    HA   ILE   2           HA       ILE   2   5.906  -0.535  -2.229
  218    HB   ILE   2           HB       ILE   2   4.635  -2.780  -3.801
  219   HG12  ILE   2          HG12      ILE   2   6.693  -0.751  -4.647
  220   HG13  ILE   2          HG11      ILE   2   7.040  -2.428  -4.273
  221   HG21  ILE   2          HG21      ILE   2   4.455   0.196  -4.246
  222   HG22  ILE   2          HG22      ILE   2   3.183  -0.796  -3.533
  223   HG23  ILE   2          HG23      ILE   2   3.677  -1.059  -5.206
  224   HD11  ILE   2          HD11      ILE   2   6.948  -2.012  -6.678
  225   HD12  ILE   2          HD12      ILE   2   5.281  -1.467  -6.513
  226   HD13  ILE   2          HD13      ILE   2   5.695  -3.144  -6.166
  227    H    SER   3           HN       SER   3   4.508   0.336  -1.009
  228    HA   SER   3           HA       SER   3   2.079  -0.999  -0.290
  229    HB2  SER   3           HB2      SER   3   3.978  -0.156   1.880
  230    HB3  SER   3           HB1      SER   3   2.327  -0.732   2.111
  231    HG   SER   3           HG       SER   3   3.668  -2.491   0.620
  232    H    DAR   4           HN       DAR   4   0.520   0.254   0.168
  233    HA   DAR   4           HA       DAR   4   0.931   3.095  -0.253
  234    HB2  DAR   4           HB1      DAR   4  -0.589   1.974   2.102
  235    HB3  DAR   4           HB2      DAR   4  -0.640   3.647   1.581
  236    HG2  DAR   4           HG1      DAR   4   2.077   3.059   1.911
  237    HG3  DAR   4           HG2      DAR   4   1.241   2.334   3.289
  238    HD2  DAR   4           HD1      DAR   4   0.257   4.991   2.628
  239    HD3  DAR   4           HD2      DAR   4   1.965   4.981   3.053
  240    HE   DAR   4           HE       DAR   4   0.174   3.608   4.879
  241   HH11  DAR   4          HH21      DAR   4   0.898   5.963   7.383
  242   HH12  DAR   4          HH22      DAR   4   0.058   4.415   7.003
  243   HH21  DAR   4          HH11      DAR   4   1.971   7.135   5.681
  244   HH22  DAR   4          HH12      DAR   4   1.991   6.445   4.018
  245    HA   28J   5           HA       28J   5  -3.298   2.638  -1.487
  246    H22  28J   5           HB       28J   5  -1.852   1.834  -3.380
  247    H23  28J   5          HG21      28J   5  -4.431   3.260  -3.828
  248    H24  28J   5          HG22      28J   5  -4.094   1.530  -3.810
  249    H25  28J   5          HG23      28J   5  -3.585   2.514  -5.181
  250    H26  28J   5          HG11      28J   5  -0.817   4.218  -3.607
  251    H27  28J   5          HG12      28J   5  -2.209   4.541  -4.633
  252    H28  28J   5          HD11      28J   5  -1.555   2.744  -6.126
  253    H29  28J   5          HD12      28J   5  -0.191   2.355  -5.078
  254    H30  28J   5          HD13      28J   5  -0.239   3.901  -5.924
  255    H    ILE   6           HN       ILE   6  -4.972   3.920  -1.801
  256    HA   ILE   6           HA       ILE   6  -4.528   6.779  -1.786
  257    HB   ILE   6           HB       ILE   6  -4.213   6.254  -4.169
  258   HG12  ILE   6          HG12      ILE   6  -6.822   7.769  -3.857
  259   HG13  ILE   6          HG11      ILE   6  -5.244   8.477  -3.558
  260   HG21  ILE   6          HG21      ILE   6  -7.005   5.651  -4.791
  261   HG22  ILE   6          HG22      ILE   6  -6.147   4.384  -3.915
  262   HG23  ILE   6          HG23      ILE   6  -5.514   4.975  -5.451
  263   HD11  ILE   6          HD11      ILE   6  -6.288   7.464  -6.201
  264   HD12  ILE   6          HD12      ILE   6  -4.696   8.180  -5.933
  265   HD13  ILE   6          HD13      ILE   6  -6.157   9.141  -5.701
  266    H    SER   7           HN       SER   7  -6.119   7.786  -0.728
  267    HA   SER   7           HA       SER   7  -8.813   6.736  -0.622
  268    HB2  SER   7           HB2      SER   7  -8.248   6.920   2.087
  269    HB3  SER   7           HB1      SER   7  -8.426   5.401   1.195
  270    HG   SER   7           HG       SER   7  -5.952   6.504   0.882
  271    H    DTH   8           HN       DTC   8  -9.667   7.981   1.653
  272    HA   DTH   8           HA       DTC   8  -8.789  10.783   1.271
  273    HB   DTH   8           HB       DTC   8  -9.311  11.271   3.645
  274   HG21  DTH   8          HG21      DTC   8  -7.337   9.117   2.944
  275   HG22  DTH   8          HG22      DTC   8  -7.529   9.600   4.630
  276   HG23  DTH   8          HG23      DTC   8  -7.050  10.789   3.417
  277    H    ALA   9           HN       ALA   9 -11.403   8.822   0.759
  278    HA   ALA   9           HA       ALA   9 -13.315  10.958   0.888
  279    HB1  ALA   9           HB1      ALA   9 -13.637   8.017   0.297
  280    HB2  ALA   9           HB2      ALA   9 -13.415   9.309  -0.887
  281    HB3  ALA   9           HB3      ALA   9 -14.864   9.267   0.106
  282    H    LEU  10           HN       LEU  10 -13.179   7.648   2.371
  283    HA   LEU  10           HA       LEU  10 -15.056   8.337   4.444
  284    HB2  LEU  10           HB2      LEU  10 -13.085   6.027   4.351
  285    HB3  LEU  10           HB1      LEU  10 -14.365   6.211   5.532
  286    HG   LEU  10           HG       LEU  10 -16.056   5.792   3.966
  287   HD11  LEU  10          HD11      LEU  10 -15.569   5.630   1.557
  288   HD12  LEU  10          HD12      LEU  10 -13.954   6.261   1.878
  289   HD13  LEU  10          HD13      LEU  10 -15.378   7.245   2.234
  290   HD21  LEU  10          HD21      LEU  10 -14.745   3.776   4.610
  291   HD22  LEU  10          HD22      LEU  10 -13.794   3.974   3.140
  292   HD23  LEU  10          HD23      LEU  10 -15.520   3.630   3.030
  293    H    ILE  11           HN       ILE  11 -11.621   7.586   4.611
  294    HA   ILE  11           HA       ILE  11 -11.486   9.409   6.961
  295    HB   ILE  11           HB       ILE  11  -9.489   7.201   6.437
  296   HG12  ILE  11          HG12      ILE  11 -11.781   7.160   8.422
  297   HG13  ILE  11          HG11      ILE  11 -11.791   6.283   6.895
  298   HG21  ILE  11          HG21      ILE  11 -10.097   8.878   8.871
  299   HG22  ILE  11          HG22      ILE  11  -8.722   9.091   7.787
  300   HG23  ILE  11          HG23      ILE  11  -8.858   7.628   8.761
  301   HD11  ILE  11          HD11      ILE  11  -9.874   4.970   7.633
  302   HD12  ILE  11          HD12      ILE  11 -11.223   4.833   8.760
  303   HD13  ILE  11          HD13      ILE  11  -9.846   5.862   9.154
  304    H    ZAE   1           HN1      DPH   1  -9.754  15.415   1.334
  305    HA   ZAE   1           HA       DPH   1  -9.447  14.901  -1.033
  306    HB2  ZAE   1           HB1      DPH   1 -10.875  12.648   0.392
  307    HB3  ZAE   1           HB2      DPH   1 -11.542  14.269   0.232
  308    HD1  ZAE   1           HD1      DPH   1 -11.626  15.200  -2.237
  309    HD2  ZAE   1           HD2      DPH   1 -11.410  11.061  -1.216
  310    HE1  ZAE   1           HE1      DPH   1 -12.572  14.608  -4.434
  311    HE2  ZAE   1           HE2      DPH   1 -12.359  10.468  -3.414
  312    HZ   ZAE   1           HZ       DPH   1 -12.940  12.241  -5.025
  313    H11  ZAE   1          HN11      DPH   1  -8.127  13.007   1.815
  314    H12  ZAE   1          HN12      DPH   1  -9.841  13.170   2.199
  315    H13  ZAE   1          HN13      DPH   1  -8.654  14.184   3.021
  316    HN2  ZAE   1           HN2      DPH   1  -8.133  15.226   0.889
  317    H    ILE   2           HN       ILE   2  -7.132  14.364  -1.300
  318    HA   ILE   2           HA       ILE   2  -6.886  11.508  -1.876
  319    HB   ILE   2           HB       ILE   2  -5.220  13.831  -2.902
  320   HG12  ILE   2          HG12      ILE   2  -7.119  12.101  -4.480
  321   HG13  ILE   2          HG11      ILE   2  -7.602  13.632  -3.766
  322   HG21  ILE   2          HG21      ILE   2  -4.207  12.236  -4.454
  323   HG22  ILE   2          HG22      ILE   2  -5.089  10.922  -3.675
  324   HG23  ILE   2          HG23      ILE   2  -3.872  11.824  -2.772
  325   HD11  ILE   2          HD11      ILE   2  -5.799  14.723  -5.121
  326   HD12  ILE   2          HD12      ILE   2  -7.113  14.017  -6.055
  327   HD13  ILE   2          HD13      ILE   2  -5.570  13.174  -5.936
  328    H    SER   3           HN       SER   3  -5.747  10.285  -0.592
  329    HA   SER   3           HA       SER   3  -3.350  11.305   0.672
  330    HB2  SER   3           HB2      SER   3  -5.508  10.013   2.328
  331    HB3  SER   3           HB1      SER   3  -3.938  10.576   2.895
  332    HG   SER   3           HG       SER   3  -4.953  12.650   1.757
  333    H    DAR   4           HN       DAR   4  -1.936   9.728   1.358
  334    HA   DAR   4           HA       DAR   4  -2.340   7.170  -0.001
  335    HB2  DAR   4           HB1      DAR   4  -1.468   7.595   2.844
  336    HB3  DAR   4           HB2      DAR   4  -1.125   6.110   1.962
  337    HG2  DAR   4           HG1      DAR   4  -3.754   6.301   1.507
  338    HG3  DAR   4           HG2      DAR   4  -3.661   7.116   3.072
  339    HD2  DAR   4           HD1      DAR   4  -2.112   4.634   2.842
  340    HD3  DAR   4           HD2      DAR   4  -3.863   4.442   2.754
  341    HE   DAR   4           HE       DAR   4  -2.963   6.089   4.931
  342   HH11  DAR   4          HH21      DAR   4  -3.760   3.598   7.282
  343   HH12  DAR   4          HH22      DAR   4  -3.344   5.329   7.052
  344   HH21  DAR   4          HH11      DAR   4  -3.912   2.195   5.440
  345   HH22  DAR   4          HH12      DAR   4  -3.677   2.865   3.789
  346    HA   28J   5           HA       28J   5   1.893   7.928  -0.655
  347    H22  28J   5           HB       28J   5   0.585   8.898  -2.718
  348    H23  28J   5          HG21      28J   5   3.487   8.082  -2.841
  349    H24  28J   5          HG22      28J   5   2.841   9.539  -2.086
  350    H25  28J   5          HG23      28J   5   2.736   9.332  -3.834
  351    H26  28J   5          HG11      28J   5   1.350   6.174  -3.593
  352    H27  28J   5          HG12      28J   5   1.757   7.466  -4.718
  353    H28  28J   5          HD11      28J   5  -0.570   8.194  -4.734
  354    H29  28J   5          HD12      28J   5  -0.980   6.896  -3.613
  355    H30  28J   5          HD13      28J   5  -0.408   6.510  -5.236
  356    H    ILE   6           HN       ILE   6   3.704   6.758  -1.433
  357    HA   ILE   6           HA       ILE   6   3.235   3.865  -1.506
  358    HB   ILE   6           HB       ILE   6   3.593   4.440  -3.790
  359   HG12  ILE   6          HG12      ILE   6   6.254   3.447  -2.768
  360   HG13  ILE   6          HG11      ILE   6   4.791   2.462  -2.871
  361   HG21  ILE   6          HG21      ILE   6   6.162   5.862  -3.113
  362   HG22  ILE   6          HG22      ILE   6   4.627   6.674  -3.388
  363   HG23  ILE   6          HG23      ILE   6   5.369   5.739  -4.682
  364   HD11  ILE   6          HD11      ILE   6   6.255   3.785  -5.101
  365   HD12  ILE   6          HD12      ILE   6   4.689   2.992  -5.263
  366   HD13  ILE   6          HD13      ILE   6   6.108   2.068  -4.772
  367    H    SER   7           HN       SER   7   4.486   2.718  -0.054
  368    HA   SER   7           HA       SER   7   7.122   3.739   0.661
  369    HB2  SER   7           HB2      SER   7   5.740   2.965   3.074
  370    HB3  SER   7           HB1      SER   7   6.682   4.423   2.757
  371    HG   SER   7           HG       SER   7   4.607   4.931   1.450
  372    H    DTH   8           HN       DTC   8   7.719   2.172   2.804
  373    HA   DTH   8           HA       DTC   8   7.339  -0.527   1.643
  374    HB   DTH   8           HB       DTC   8   7.416  -1.591   3.849
  375   HG21  DTH   8          HG21      DTC   8   5.235  -1.096   3.109
  376   HG22  DTH   8          HG22      DTC   8   5.424   0.635   3.388
  377   HG23  DTH   8          HG23      DTC   8   5.279  -0.468   4.757
  378    H    ALA   9           HN       ALA   9   9.338   1.967   2.514
  379    HA   ALA   9           HA       ALA   9  11.757   0.424   2.082
  380    HB1  ALA   9           HB1      ALA   9  11.788   3.321   2.792
  381    HB2  ALA   9           HB2      ALA   9  11.100   2.843   1.241
  382    HB3  ALA   9           HB3      ALA   9  12.767   2.428   1.628
  383    H    LEU  10           HN       LEU  10  10.794   2.877   4.479
  384    HA   LEU  10           HA       LEU  10  12.695   1.953   6.406
  385    HB2  LEU  10           HB2      LEU  10  10.347   3.794   6.764
  386    HB3  LEU  10           HB1      LEU  10  11.627   3.571   7.911
  387    HG   LEU  10           HG       LEU  10  13.157   4.821   6.681
  388   HD11  LEU  10          HD11      LEU  10  12.695   3.540   4.594
  389   HD12  LEU  10          HD12      LEU  10  13.124   5.238   4.389
  390   HD13  LEU  10          HD13      LEU  10  11.443   4.728   4.236
  391   HD21  LEU  10          HD21      LEU  10  11.744   6.493   7.465
  392   HD22  LEU  10          HD22      LEU  10  10.444   6.051   6.375
  393   HD23  LEU  10          HD23      LEU  10  11.873   6.860   5.743
  394    H    ILE  11           HN       ILE  11   9.253   1.572   5.847
  395    HA   ILE  11           HA       ILE  11   9.211  -0.635   7.792
  396    HB   ILE  11           HB       ILE  11   6.927   1.331   7.463
  397   HG12  ILE  11          HG12      ILE  11   8.698   1.027   9.888
  398   HG13  ILE  11          HG11      ILE  11   9.028   2.210   8.628
  399   HG21  ILE  11          HG21      ILE  11   7.336  -0.907   9.449
  400   HG22  ILE  11          HG22      ILE  11   6.266  -0.965   8.050
  401   HG23  ILE  11          HG23      ILE  11   5.940   0.167   9.361
  402   HD11  ILE  11          HD11      ILE  11   6.873   3.266   9.054
  403   HD12  ILE  11          HD12      ILE  11   7.868   3.211  10.509
  404   HD13  ILE  11          HD13      ILE  11   6.537   2.072  10.306
  405    H1   ALA   1           HN       ALA   1 -16.904  -8.010  -2.687
  406    HA   ALA   1           HA       ALA   1 -17.586  -7.189  -5.286
  407    HB1  ALA   1           HB1      ALA   1 -16.225  -5.209  -4.767
  408    HB2  ALA   1           HB2      ALA   1 -15.568  -6.145  -6.128
  409    HB3  ALA   1           HB3      ALA   1 -14.824  -6.252  -4.525
  410    H    DGL   2           HN       DGL   2 -14.475  -7.649  -5.979
  411    HA   DGL   2           HA       DGL   2 -13.286  -9.447  -6.516
  412    HB2  DGL   2           HB1      DGL   2 -15.524 -10.375  -7.350
  413    HB3  DGL   2           HB2      DGL   2 -15.705 -11.072  -5.761
  414    HG2  DGL   2           HG1      DGL   2 -13.232 -12.155  -6.757
  415    HG3  DGL   2           HG2      DGL   2 -14.285 -12.260  -8.167
  416    H    LYS   3           HN       LYS   3 -14.855 -12.698  -4.647
  417    HA   LYS   3           HA       LYS   3 -15.869 -14.209  -3.476
  418    HB2  LYS   3           HB2      LYS   3 -17.700 -14.003  -4.924
  419    HB3  LYS   3           HB1      LYS   3 -17.029 -15.195  -6.053
  420    HG2  LYS   3           HG2      LYS   3 -16.946 -16.748  -3.935
  421    HG3  LYS   3           HG1      LYS   3 -18.088 -15.595  -3.259
  422    HD2  LYS   3           HD2      LYS   3 -19.560 -17.241  -4.077
  423    HD3  LYS   3           HD1      LYS   3 -19.489 -16.019  -5.302
  424    HE2  LYS   3           HE2      LYS   3 -19.586 -17.846  -6.616
  425    HE3  LYS   3           HE1      LYS   3 -17.718 -17.378  -6.412
  426    HZ1  LYS   3           HZ1      LYS   3 -17.646 -19.602  -6.828
  427    HZ2  LYS   3           HZ2      LYS   3 -19.007 -19.894  -5.957
  428    HZ3  LYS   3           HZ3      LYS   3 -17.632 -19.389  -5.153
  429    H    DAL   4           HN       DAL   4 -14.626 -15.805  -6.210
  430    HA   DAL   4           HA       DAL   4 -12.600 -17.852  -4.960
  431    HB1  DAL   4           HB1      DAL   4 -11.609 -16.178  -7.062
  432    HB2  DAL   4           HB2      DAL   4 -10.864 -17.599  -6.334
  433    HB3  DAL   4           HB3      DAL   4 -11.087 -16.090  -5.346
  434    H    DAL   5           HN       DAL   5 -12.850 -19.897  -5.989
  435    HA   DAL   5           HA       DAL   5 -13.945 -21.911  -7.127
  436    HB1  DAL   5           HB1      DAL   5 -14.084 -19.497  -8.840
  437    HB2  DAL   5           HB2      DAL   5 -14.699 -21.024  -9.450
  438    HB3  DAL   5           HB3      DAL   5 -12.972 -20.805  -9.131
  439    H1   ALA   1           HN       ALA   1  15.420  -3.050  -8.867
  440    HA   ALA   1           HA       ALA   1  17.192  -5.197  -9.246
  441    HB1  ALA   1           HB1      ALA   1  15.653  -6.710  -9.964
  442    HB2  ALA   1           HB2      ALA   1  16.091  -5.968 -11.519
  443    HB3  ALA   1           HB3      ALA   1  14.605  -5.490 -10.686
  444    H    DGL   2           HN       DGL   2  15.336  -2.471 -10.507
  445    HA   DGL   2           HA       DGL   2  16.081  -0.761 -11.684
  446    HB2  DGL   2           HB1      DGL   2  17.222  -3.072 -13.212
  447    HB3  DGL   2           HB2      DGL   2  17.795  -1.480 -13.636
  448    HG2  DGL   2           HG1      DGL   2  15.847  -0.998 -14.893
  449    HG3  DGL   2           HG2      DGL   2  14.748  -1.700 -13.708
  450    H    LYS   3           HN       LYS   3  16.132  -4.322 -13.788
  451    HA   LYS   3           HA       LYS   3  15.806  -6.263 -14.692
  452    HB2  LYS   3           HB2      LYS   3  13.557  -5.337 -15.123
  453    HB3  LYS   3           HB1      LYS   3  14.042  -5.116 -16.813
  454    HG2  LYS   3           HG2      LYS   3  14.891  -7.716 -16.050
  455    HG3  LYS   3           HG1      LYS   3  13.264  -7.527 -15.411
  456    HD2  LYS   3           HD2      LYS   3  12.812  -8.503 -17.508
  457    HD3  LYS   3           HD1      LYS   3  12.596  -6.799 -17.715
  458    HE2  LYS   3           HE1      LYS   3  13.671  -7.971 -19.660
  459    HE3  LYS   3           HE2      LYS   3  14.422  -6.369 -18.874
  460    HZ1  LYS   3           HZ1      LYS   3  15.887  -8.284 -20.064
  461    HZ2  LYS   3           HZ2      LYS   3  15.959  -8.703 -18.405
  462    HZ3  LYS   3           HZ3      LYS   3  16.294  -7.128 -18.903
  463    H    DAL   4           HN       DAL   4  17.960  -5.794 -14.796
  464    HA   DAL   4           HA       DAL   4  20.261  -6.621 -15.577
  465    HB1  DAL   4           HB1      DAL   4  20.070  -4.690 -17.682
  466    HB2  DAL   4           HB2      DAL   4  21.482  -5.567 -17.099
  467    HB3  DAL   4           HB3      DAL   4  20.678  -4.337 -16.030
  468    H    DAL   5           HN       DAL   5  18.937  -8.751 -15.303
  469    HA   DAL   5           HA       DAL   5  18.201 -11.087 -16.056
  470    HB1  DAL   5           HB1      DAL   5  20.147  -9.879 -17.940
  471    HB2  DAL   5           HB2      DAL   5  19.606 -11.530 -18.194
  472    HB3  DAL   5           HB3      DAL   5  20.584 -11.104 -16.781
  473    H1   ALA   1           HN       ALA   1 -18.727   6.128  -3.418
  474    HA   ALA   1           HA       ALA   1 -21.440   6.834  -3.693
  475    HB1  ALA   1           HB1      ALA   1 -21.520   6.831  -1.261
  476    HB2  ALA   1           HB2      ALA   1 -21.747   8.474  -1.900
  477    HB3  ALA   1           HB3      ALA   1 -20.193   7.990  -1.207
  478    H    DGL   2           HN       DGL   2 -21.695   9.182  -4.338
  479    HA   DGL   2           HA       DGL   2 -20.796  11.171  -4.759
  480    HB2  DGL   2           HB1      DGL   2 -18.715  10.817  -6.532
  481    HB3  DGL   2           HB2      DGL   2 -20.376  10.614  -6.982
  482    HG2  DGL   2           HG1      DGL   2 -20.015   8.361  -7.546
  483    HG3  DGL   2           HG2      DGL   2 -19.264   7.988  -5.992
  484    H    LYS   3           HN       LYS   3 -16.992   9.571  -6.107
  485    HA   LYS   3           HA       LYS   3 -14.925   9.570  -6.726
  486    HB2  LYS   3           HB2      LYS   3 -15.374   7.130  -6.636
  487    HB3  LYS   3           HB1      LYS   3 -15.344   7.138  -8.407
  488    HG2  LYS   3           HG2      LYS   3 -13.123   8.681  -7.538
  489    HG3  LYS   3           HG1      LYS   3 -13.152   7.249  -6.519
  490    HD2  LYS   3           HD2      LYS   3 -11.689   6.638  -8.311
  491    HD3  LYS   3           HD1      LYS   3 -13.224   5.874  -8.556
  492    HE2  LYS   3           HE1      LYS   3 -12.155   6.618 -10.665
  493    HE3  LYS   3           HE2      LYS   3 -13.951   7.181 -10.218
  494    HZ1  LYS   3           HZ1      LYS   3 -12.285   8.631 -11.727
  495    HZ2  LYS   3           HZ2      LYS   3 -12.008   9.173 -10.200
  496    HZ3  LYS   3           HZ3      LYS   3 -13.582   9.100 -10.754
  497    H    DAL   4           HN       DAL   4 -15.747  11.478  -7.470
  498    HA   DAL   4           HA       DAL   4 -15.398  13.635  -8.809
  499    HB1  DAL   4           HB1      DAL   4 -16.464  12.288 -11.115
  500    HB2  DAL   4           HB2      DAL   4 -16.126  14.002 -10.905
  501    HB3  DAL   4           HB3      DAL   4 -17.441  13.214  -9.926
  502    H    DAL   5           HN       DAL   5 -13.308  12.209  -7.492
  503    HA   DAL   5           HA       DAL   5 -10.807  11.795  -7.378
  504    HB1  DAL   5           HB1      DAL   5  -9.722  13.475  -8.681
  505    HB2  DAL   5           HB2      DAL   5 -11.054  14.241  -7.831
  506    HB3  DAL   5           HB3      DAL   5 -11.131  13.963  -9.580
  507    H1   ALA   1           HN       ALA   1   8.872  10.146   8.050
  508    HA   ALA   1           HA       ALA   1  10.792  11.279   9.760
  509    HB1  ALA   1           HB1      ALA   1  12.102   9.263   9.222
  510    HB2  ALA   1           HB2      ALA   1  12.908  10.763   8.709
  511    HB3  ALA   1           HB3      ALA   1  12.090   9.734   7.522
  512    H    DGL   2           HN       DGL   2  12.670  12.202   7.669
  513    HA   DGL   2           HA       DGL   2  12.650  13.403   5.789
  514    HB2  DGL   2           HB1      DGL   2  10.994  15.447   5.900
  515    HB3  DGL   2           HB2      DGL   2  12.245  15.298   7.108
  516    HG2  DGL   2           HG1      DGL   2  10.657  15.198   8.847
  517    HG3  DGL   2           HG2      DGL   2   9.685  13.968   8.038
  518    H    LYS   3           HN       LYS   3   8.994  15.465   5.721
  519    HA   LYS   3           HA       LYS   3   7.592  16.888   4.893
  520    HB2  LYS   3           HB2      LYS   3   6.346  15.530   6.819
  521    HB3  LYS   3           HB1      LYS   3   5.884  17.189   7.238
  522    HG2  LYS   3           HG2      LYS   3   5.788  16.236   4.380
  523    HG3  LYS   3           HG1      LYS   3   4.482  15.829   5.485
  524    HD2  LYS   3           HD2      LYS   3   3.513  17.744   4.632
  525    HD3  LYS   3           HD1      LYS   3   4.474  18.387   5.922
  526    HE2  LYS   3           HE1      LYS   3   4.805  19.973   4.334
  527    HE3  LYS   3           HE2      LYS   3   6.306  18.751   4.300
  528    HZ1  LYS   3           HZ1      LYS   3   4.691  18.487   2.025
  529    HZ2  LYS   3           HZ2      LYS   3   6.375  18.745   2.196
  530    HZ3  LYS   3           HZ3      LYS   3   5.303  20.044   2.251
  531    H    DAL   4           HN       DAL   4   9.761  17.911   5.353
  532    HA   DAL   4           HA       DAL   4  11.210  20.054   5.395
  533    HB1  DAL   4           HB1      DAL   4   9.402  21.430   7.136
  534    HB2  DAL   4           HB2      DAL   4  11.005  21.906   6.580
  535    HB3  DAL   4           HB3      DAL   4  10.821  20.487   7.701
  536    H    DAL   5           HN       DAL   5  10.620  19.045   3.096
  537    HA   DAL   5           HA       DAL   5  10.106  19.416   0.616
  538    HB1  DAL   5           HB1      DAL   5   9.850  21.982   2.082
  539    HB2  DAL   5           HB2      DAL   5   9.618  21.942   0.342
  540    HB3  DAL   5           HB3      DAL   5  11.206  21.614   1.052
  541    H12  P1W 103           H12      TPL  10  -9.793  -8.473   4.630
  542    H11  P1W 103           H11      TPL  10  -8.655  -7.294   3.987
  543    H2   P1W 103           H2       TPL  10 -10.972  -8.139   2.228
  544    H43  P1W 103           H42      TPL  10  -9.210 -10.384   0.187
  545    H42  P1W 103           H41      TPL  10 -10.647  -9.369   0.343
  546    H51  P1W 103           H51      TPL  10  -7.829 -10.653   2.170
  547    H52  P1W 103           H52      TPL  10  -7.609  -9.287   3.262
  548    H53  P1W 103           H53      TPL  10  -6.996  -9.196   1.611
  549    H12  P1W 104           H12      TPL  11  -9.772  -7.709  -0.902
  550    H11  P1W 104           H11      TPL  11  -8.157  -7.890  -0.220
  551    H2   P1W 104           H2       TPL  11  -8.308 -10.204  -1.704
  552    H43  P1W 104           H42      TPL  11  -8.420 -10.581  -4.171
  553    H42  P1W 104           H41      TPL  11  -9.103  -9.308  -5.181
  554    H51  P1W 104           H51      TPL  11 -10.582  -7.547  -3.210
  555    H52  P1W 104           H52      TPL  11  -9.419  -7.220  -4.495
  556    H53  P1W 104           H53      TPL  11  -9.105  -6.655  -2.856
  557    H12  P1W 105           H12      TPL  11   7.076 -15.237  -7.401
  558    H11  P1W 105           H11      TPL  11   7.050 -13.484  -7.280
  559    H2   P1W 105           H2       TPL  11   8.045 -15.132  -9.538
  560    H43  P1W 105           H42      TPL  11   8.448 -13.816 -11.560
  561    H42  P1W 105           H41      TPL  11   8.349 -12.057 -11.464
  562    H51  P1W 105           H51      TPL  11   7.113 -11.468  -8.843
  563    H52  P1W 105           H52      TPL  11   8.672 -10.936  -9.473
  564    H53  P1W 105           H53      TPL  11   8.577 -11.736  -7.904
  565    H12  P1W 106           H12      TPL  12  -7.002  -8.088  -5.118
  566    H11  P1W 106           H11      TPL  12  -6.307  -9.276  -4.019
  567    H2   P1W 106           H2       TPL  12  -7.367 -10.504  -6.476
  568    H43  P1W 106           H43      TPL  12  -4.703 -11.815  -7.410
  569    H41  P1W 106           H41      TPL  12  -4.137 -10.393  -8.294
  570    H42  P1W 106           H42      TPL  12  -5.819 -10.906  -8.431
  571    H51  P1W 106           H51      TPL  12  -3.440  -9.637  -5.652
  572    H52  P1W 106           H52      TPL  12  -4.603  -8.347  -5.360
  573    H53  P1W 106           H53      TPL  12  -3.808  -8.474  -6.929
  574    H12  P1W 107           H12      TPL  12  10.579 -12.751 -12.168
  575    H11  P1W 107           H11      TPL  12  10.655 -11.984 -10.584
  576    H2   P1W 107           H2       TPL  12  10.732 -14.990 -11.084
  577    H43  P1W 107           H43      TPL  12  12.620 -16.070  -9.780
  578    H41  P1W 107           H41      TPL  12  11.738 -15.867  -8.261
  579    H42  P1W 107           H42      TPL  12  13.342 -15.160  -8.454
  580    H51  P1W 107           H51      TPL  12  12.944 -12.318  -9.260
  581    H52  P1W 107           H52      TPL  12  12.568 -13.149  -7.754
  582    H53  P1W 107           H53      TPL  12  11.319 -12.212  -8.574
  583    H12  P1W 103           H12      TPL  10   7.359 -11.521  -3.689
  584    H11  P1W 103           H11      TPL  10   8.884 -12.036  -2.957
  585    H2   P1W 103           H2       TPL  10   9.160 -11.887  -5.841
  586    H43  P1W 103           H42      TPL  10   9.678 -13.886  -6.993
  587    H42  P1W 103           H41      TPL  10   9.103 -15.437  -6.389
  588    H51  P1W 103           H51      TPL  10   7.053 -15.129  -4.440
  589    H52  P1W 103           H52      TPL  10   7.907 -14.207  -3.205
  590    H53  P1W 103           H53      TPL  10   8.716 -15.553  -4.011
  591    H12  P1W 103           H12      TPL  10 -10.727   7.547  -0.566
  592    H11  P1W 103           H11      TPL  10 -12.130   7.852  -1.588
  593    H2   P1W 103           H2       TPL  10 -11.214   5.034  -1.698
  594    H43  P1W 103           H42      TPL  10  -8.792   5.068  -3.976
  595    H42  P1W 103           H41      TPL  10 -10.322   4.232  -3.729
  596    H51  P1W 103           H51      TPL  10 -10.607   8.356  -3.600
  597    H52  P1W 103           H52      TPL  10  -9.203   7.613  -4.363
  598    H53  P1W 103           H53      TPL  10  -9.147   8.032  -2.652
  599    H12  P1W 103           H12      TPL  10   9.573   7.457   2.098
  600    H11  P1W 103           H11      TPL  10   7.825   7.672   2.145
  601    H2   P1W 103           H2       TPL  10   7.901   5.524   0.496
  602    H43  P1W 103           H42      TPL  10   9.971   5.501  -2.056
  603    H42  P1W 103           H41      TPL  10   8.241   5.456  -1.724
  604    H51  P1W 103           H51      TPL  10  10.506   8.315  -1.266
  605    H52  P1W 103           H52      TPL  10  11.426   7.137  -0.333
  606    H53  P1W 103           H53      TPL  10  10.412   8.319   0.499
  607    H12  P1W 104           H12      TPL  11 -11.170   4.965  -5.701
  608    H11  P1W 104           H11      TPL  11 -10.338   6.519  -5.632
  609    H2   P1W 104           H2       TPL  11  -9.132   3.846  -6.466
  610    H43  P1W 104           H42      TPL  11  -7.101   5.877  -8.879
  611    H42  P1W 104           H41      TPL  11  -6.740   4.621  -7.692
  612    H51  P1W 104           H51      TPL  11  -9.914   7.312  -7.449
  613    H52  P1W 104           H52      TPL  11  -8.561   7.412  -8.577
  614    H53  P1W 104           H53      TPL  11  -8.305   7.721  -6.859
  615    H12  P1W 105           H12      TPL  11   9.776   7.665  -3.064
  616    H11  P1W 105           H11      TPL  11   8.522   6.656  -3.771
  617    H2   P1W 105           H2       TPL  11   7.369   7.890  -1.447
  618    H43  P1W 105           H42      TPL  11   6.671  11.216  -3.100
  619    H42  P1W 105           H41      TPL  11   5.659   9.918  -2.464
  620    H51  P1W 105           H51      TPL  11   7.999  10.639  -4.579
  621    H52  P1W 105           H52      TPL  11   8.761   9.057  -4.740
  622    H53  P1W 105           H53      TPL  11   9.457  10.269  -3.667
  623    H12  P1W 106           H12      TPL  12  -7.365   3.318  -9.485
  624    H11  P1W 106           H11      TPL  12  -8.927   3.511  -8.692
  625    H2   P1W 106           H2       TPL  12  -8.022   5.371 -10.917
  626    H43  P1W 106           H43      TPL  12 -11.387   4.748 -12.482
  627    H41  P1W 106           H41      TPL  12  -9.724   5.118 -12.953
  628    H42  P1W 106           H42      TPL  12 -10.638   6.257 -11.963
  629    H51  P1W 106           H51      TPL  12 -10.685   2.638 -10.211
  630    H52  P1W 106           H52      TPL  12 -11.936   3.783 -10.684
  631    H53  P1W 106           H53      TPL  12 -11.093   3.990  -9.149
  632    H12  P1W 107           H12      TPL  12   6.146  11.481  -0.684
  633    H11  P1W 107           H11      TPL  12   7.005   9.978  -0.358
  634    H2   P1W 107           H2       TPL  12   8.647  11.846  -1.915
  635    H43  P1W 107           H43      TPL  12  10.032  13.795   0.450
  636    H41  P1W 107           H41      TPL  12  10.635  12.723  -0.820
  637    H42  P1W 107           H42      TPL  12  10.865  12.301   0.876
  638    H51  P1W 107           H51      TPL  12   9.061  11.415   2.213
  639    H52  P1W 107           H52      TPL  12   7.488  11.058   1.507
  640    H53  P1W 107           H53      TPL  12   7.890  12.714   1.963
  641    H1   MUB 101           H1       NAM   6 -13.943  -5.609  -0.445
  642    H2   MUB 101           H2       NAM   6 -16.012  -5.211   0.345
  643    HN2  MUB 101           HN2      NAM   6 -16.337  -5.342   2.585
  644    H81  MUB 101           H81      NAM   6 -16.023  -6.835   4.759
  645    H82  MUB 101           H82      NAM   6 -16.889  -8.339   4.514
  646    H83  MUB 101           H83      NAM   6 -17.732  -6.826   4.228
  647    H3   MUB 101           H3       NAM   6 -16.321  -8.292   0.718
  648    H9   MUB 101           H9       NAM   6 -16.687  -5.885  -1.171
  649   H111  MUB 101          H111      NAM   6 -19.418  -5.051  -0.010
  650   H112  MUB 101          H112      NAM   6 -18.489  -4.055  -1.096
  651   H113  MUB 101          H113      NAM   6 -17.715  -4.519   0.371
  652    H4A  MUB 101           H4       NAM   6 -15.483  -7.249  -2.033
  653    H5   MUB 101           H5       NAM   6 -13.657  -9.185  -0.588
  654    H61  MUB 101           H61      NAM   6 -11.928  -8.212  -1.566
  655    H62  MUB 101           H62      NAM   6 -12.653  -6.572  -1.734
  656    HO6  MUB 101           HO6      NAM   6 -12.858  -8.999  -3.303
  657    H1   NAG 102           H1       NAG   7 -17.203  -9.735  -0.469
  658    H2   NAG 102           H2       NAG   7 -15.665 -11.711  -2.415
  659    H3   NAG 102           H3       NAG   7 -17.911 -12.396  -0.371
  660    H4   NAG 102           H4       NAG   7 -15.048 -13.237  -0.114
  661    H5   NAG 102           H5       NAG   7 -16.548 -10.949   1.542
  662    H61  NAG 102           H61      NAG   7 -14.753 -12.226   2.782
  663    H62  NAG 102           H62      NAG   7 -14.670 -10.475   2.699
  664    H81  NAG 102           H81      NAG   7 -19.843 -11.471  -4.139
  665    H82  NAG 102           H82      NAG   7 -19.321  -9.799  -4.289
  666    H83  NAG 102           H83      NAG   7 -20.652 -10.182  -3.201
  667    HN2  NAG 102           HN2      NAG   7 -17.210 -11.267  -3.693
  668    HO3  NAG 102           HO3      NAG   7 -17.564 -13.634  -2.265
  669    HO4  NAG 102           HO4      NAG   7 -16.729 -14.373   0.851
  670    HO6  NAG 102           HO6      NAG   7 -13.259 -10.962   0.800
  671    H1   MUB 101           H1       NAM   6  11.591  -6.911  -4.992
  672    H2   MUB 101           H2       NAM   6  12.579  -4.934  -5.053
  673    HN2  MUB 101           HN2      NAM   6  11.532  -3.238  -4.010
  674    H81  MUB 101           H81      NAM   6   8.908  -1.171  -5.281
  675    H82  MUB 101           H82      NAM   6  10.422  -1.081  -4.398
  676    H83  MUB 101           H83      NAM   6   9.103  -2.024  -3.718
  677    H3   MUB 101           H3       NAM   6  10.519  -4.196  -7.312
  678    H9   MUB 101           H9       NAM   6  13.480  -4.920  -6.715
  679   H111  MUB 101          H111      NAM   6  14.185  -2.045  -5.859
  680   H112  MUB 101          H112      NAM   6  15.238  -3.407  -5.591
  681   H113  MUB 101          H113      NAM   6  13.661  -3.509  -4.904
  682    H4A  MUB 101           H4       NAM   6  12.700  -6.330  -7.712
  683    H5   MUB 101           H5       NAM   6   9.832  -7.133  -8.009
  684    H61  MUB 101           H61      NAM   6  11.642  -8.728  -7.900
  685    H62  MUB 101           H62      NAM   6  10.389  -9.105  -6.638
  686    HO6  MUB 101           HO6      NAM   6  12.555  -9.057  -5.684
  687    H1   NAG 102           H1       NAG   7  11.111  -3.860  -9.409
  688    H2   NAG 102           H2       NAG   7  10.178  -6.046 -11.531
  689    H3   NAG 102           H3       NAG   7   9.803  -2.968 -11.524
  690    H4   NAG 102           H4       NAG   7   7.588  -4.958 -11.164
  691    H5   NAG 102           H5       NAG   7   8.861  -3.067  -8.921
  692    H61  NAG 102           H61      NAG   7   6.376  -3.739  -8.765
  693    H62  NAG 102           H62      NAG   7   7.463  -3.816  -7.386
  694    H81  NAG 102           H81      NAG   7  14.297  -2.880 -12.173
  695    H82  NAG 102           H82      NAG   7  13.523  -3.590 -13.584
  696    H83  NAG 102           H83      NAG   7  14.250  -4.654 -12.384
  697    HN2  NAG 102           HN2      NAG   7  12.043  -5.696 -12.267
  698    HO3  NAG 102           HO3      NAG   7   9.866  -4.062 -13.465
  699    HO4  NAG 102           HO4      NAG   7   7.173  -2.956 -12.007
  700    HO6  NAG 102           HO6      NAG   7   7.744  -6.101  -8.232
  701    H1   MUB 101           H1       NAM   6 -14.959   5.749  -0.948
  702    H2   MUB 101           H2       NAM   6 -16.513   4.142  -0.823
  703    HN2  MUB 101           HN2      NAM   6 -15.668   2.066  -0.696
  704    H81  MUB 101           H81      NAM   6 -14.093   0.275  -1.813
  705    H82  MUB 101           H82      NAM   6 -14.723  -0.084  -3.416
  706    H83  MUB 101           H83      NAM   6 -15.818  -0.143  -2.040
  707    H3   MUB 101           H3       NAM   6 -16.115   3.677  -3.910
  708    H9   MUB 101           H9       NAM   6 -18.150   4.800  -1.847
  709   H111  MUB 101          H111      NAM   6 -17.978   3.439  -0.004
  710   H112  MUB 101          H112      NAM   6 -18.339   2.066  -1.015
  711   H113  MUB 101          H113      NAM   6 -19.687   2.913  -0.359
  712    H4A  MUB 101           H4       NAM   6 -17.460   6.198  -2.809
  713    H5   MUB 101           H5       NAM   6 -14.973   6.541  -4.382
  714    H61  MUB 101           H61      NAM   6 -15.772   8.356  -3.181
  715    H62  MUB 101           H62      NAM   6 -14.135   7.960  -2.511
  716    HO6  MUB 101           HO6      NAM   6 -16.279   8.265  -1.094
  717    H1   NAG 102           H1       NAG   7 -17.609   4.000  -5.343
  718    H2   NAG 102           H2       NAG   7 -17.314   6.412  -7.395
  719    H3   NAG 102           H3       NAG   7 -17.760   3.413  -7.951
  720    H4   NAG 102           H4       NAG   7 -15.198   4.867  -8.526
  721    H5   NAG 102           H5       NAG   7 -15.741   2.733  -6.206
  722    H61  NAG 102           H61      NAG   7 -13.396   2.909  -7.298
  723    H62  NAG 102           H62      NAG   7 -13.636   2.720  -5.575
  724    H81  NAG 102           H81      NAG   7 -21.878   4.148  -6.255
  725    H82  NAG 102           H82      NAG   7 -21.649   5.297  -7.566
  726    H83  NAG 102           H83      NAG   7 -21.486   5.855  -5.903
  727    HN2  NAG 102           HN2      NAG   7 -19.292   6.543  -7.143
  728    HO3  NAG 102           HO3      NAG   7 -18.394   5.191  -9.329
  729    HO4  NAG 102           HO4      NAG   7 -15.894   3.012  -9.659
  730    HO6  NAG 102           HO6      NAG   7 -13.549   5.143  -5.635
  731    H1   MUB 101           H1       NAM   6   9.170   6.409   5.083
  732    H2   MUB 101           H2       NAM   6   8.567   6.174   7.143
  733    HN2  MUB 101           HN2      NAM   6   6.721   4.831   7.338
  734    H81  MUB 101           H81      NAM   6   4.391   4.194   6.476
  735    H82  MUB 101           H82      NAM   6   3.287   5.557   6.604
  736    H83  MUB 101           H83      NAM   6   4.169   5.043   8.037
  737    H3   MUB 101           H3       NAM   6   6.396   8.377   6.579
  738    H9   MUB 101           H9       NAM   6   8.917   7.632   8.184
  739   H111  MUB 101          H111      NAM   6   7.367   6.358  10.513
  740   H112  MUB 101          H112      NAM   6   9.102   6.266  10.383
  741   H113  MUB 101          H113      NAM   6   8.199   5.646   9.054
  742    H4A  MUB 101           H4       NAM   6   9.342   9.060   6.852
  743    H5   MUB 101           H5       NAM   6   8.028   9.645   4.248
  744    H61  MUB 101           H61      NAM   6   9.787   8.996   3.226
  745    H62  MUB 101           H62      NAM   6  10.191   7.576   4.217
  746    HO6  MUB 101           HO6      NAM   6  10.428  10.472   4.814
  747    H1   NAG 102           H1       NAG   7   6.103  10.077   7.086
  748    H2   NAG 102           H2       NAG   7   7.087  12.988   6.313
  749    H3   NAG 102           H3       NAG   7   4.314  11.919   7.235
  750    H4   NAG 102           H4       NAG   7   4.867  12.997   4.477
  751    H5   NAG 102           H5       NAG   7   4.463   9.941   5.305
  752    H61  NAG 102           H61      NAG   7   5.192  11.119   2.656
  753    H62  NAG 102           H62      NAG   7   3.686  10.399   3.135
  754    H81  NAG 102           H81      NAG   7   6.446  13.401  10.731
  755    H82  NAG 102           H82      NAG   7   7.572  12.050  10.716
  756    H83  NAG 102           H83      NAG   7   5.926  11.782  11.283
  757    HN2  NAG 102           HN2      NAG   7   7.579  13.069   8.300
  758    HO3  NAG 102           HO3      NAG   7   4.959  14.063   7.654
  759    HO4  NAG 102           HO4      NAG   7   2.909  13.030   5.411
  760    HO6  NAG 102           HO6      NAG   7   6.138   8.954   3.524
  Start of MODEL   15
    1    H    ZAE   1           HN1      DPH   1   8.794 -15.944   1.413
    2    HA   ZAE   1           HA       DPH   1   7.608 -15.340  -0.539
    3    HB2  ZAE   1           HB1      DPH   1   9.945 -13.440  -0.432
    4    HB3  ZAE   1           HB2      DPH   1  10.167 -15.185  -0.481
    5    HD1  ZAE   1           HD1      DPH   1   8.680 -16.357  -2.410
    6    HD2  ZAE   1           HD2      DPH   1  10.067 -12.330  -2.442
    7    HE1  ZAE   1           HE1      DPH   1   8.500 -16.313  -4.867
    8    HE2  ZAE   1           HE2      DPH   1   9.881 -12.294  -4.893
    9    HZ   ZAE   1           HZ       DPH   1   9.104 -14.276  -6.109
   10    H11  ZAE   1          HN11      DPH   1   8.821 -13.082   2.106
   11    H12  ZAE   1          HN12      DPH   1  10.221 -14.064   1.666
   12    H13  ZAE   1          HN13      DPH   1   9.339 -14.404   3.155
   13    HN2  ZAE   1           HN2      DPH   1   7.424 -15.059   1.865
   14    H    ILE   2           HN       ILE   2   5.883 -14.216  -1.063
   15    HA   ILE   2           HA       ILE   2   5.931 -11.306  -0.784
   16    HB   ILE   2           HB       ILE   2   4.041 -13.082  -2.374
   17   HG12  ILE   2          HG12      ILE   2   6.287 -13.108  -3.316
   18   HG13  ILE   2          HG11      ILE   2   5.194 -12.212  -4.361
   19   HG21  ILE   2          HG21      ILE   2   3.282 -10.980  -3.437
   20   HG22  ILE   2          HG22      ILE   2   4.276 -10.075  -2.295
   21   HG23  ILE   2          HG23      ILE   2   2.927 -11.044  -1.710
   22   HD11  ILE   2          HD11      ILE   2   7.275 -11.081  -4.271
   23   HD12  ILE   2          HD12      ILE   2   7.255 -11.073  -2.507
   24   HD13  ILE   2          HD13      ILE   2   6.076 -10.118  -3.408
   25    H    SER   3           HN       SER   3   4.701 -10.305   0.693
   26    HA   SER   3           HA       SER   3   2.288 -11.626   1.662
   27    HB2  SER   3           HB2      SER   3   4.297 -10.413   3.564
   28    HB3  SER   3           HB1      SER   3   2.718 -11.064   4.005
   29    HG   SER   3           HG       SER   3   4.103 -12.912   2.638
   30    H    DAR   4           HN       DAR   4   0.723 -10.256   2.452
   31    HA   DAR   4           HA       DAR   4   1.072  -7.461   1.616
   32    HB2  DAR   4           HB1      DAR   4  -0.277  -8.612   4.038
   33    HB3  DAR   4           HB2      DAR   4  -0.679  -7.010   3.432
   34    HG2  DAR   4           HG1      DAR   4   2.140  -7.801   4.058
   35    HG3  DAR   4           HG2      DAR   4   1.044  -7.172   5.293
   36    HD2  DAR   4           HD1      DAR   4   1.202  -5.080   4.521
   37    HD3  DAR   4           HD2      DAR   4   1.050  -5.598   2.843
   38    HE   DAR   4           HE       DAR   4   3.323  -5.599   2.653
   39   HH11  DAR   4          HH21      DAR   4   5.791  -4.888   5.056
   40   HH12  DAR   4          HH22      DAR   4   5.455  -5.118   3.303
   41   HH21  DAR   4          HH11      DAR   4   4.076  -5.018   6.588
   42   HH22  DAR   4          HH12      DAR   4   2.399  -5.353   6.030
   43    HA   28J   5           HA       28J   5  -2.884  -8.207  -0.003
   44    H22  28J   5           HB       28J   5  -2.732  -7.979  -2.623
   45    H23  28J   5          HG21      28J   5   0.161  -8.228  -1.803
   46    H24  28J   5          HG22      28J   5  -0.566  -6.885  -2.685
   47    H25  28J   5          HG23      28J   5  -0.450  -8.476  -3.439
   48    H26  28J   5          HG11      28J   5  -2.956 -10.121  -1.290
   49    H27  28J   5          HG12      28J   5  -1.198 -10.196  -1.234
   50    H28  28J   5          HD11      28J   5  -1.131 -10.317  -3.679
   51    H29  28J   5          HD12      28J   5  -2.894 -10.296  -3.717
   52    H30  28J   5          HD13      28J   5  -2.044 -11.647  -2.966
   53    H    ILE   6           HN       ILE   6  -4.298  -7.100  -1.650
   54    HA   ILE   6           HA       ILE   6  -4.113  -4.177  -1.388
   55    HB   ILE   6           HB       ILE   6  -5.641  -4.267  -3.455
   56   HG12  ILE   6          HG12      ILE   6  -4.426  -6.994  -3.744
   57   HG13  ILE   6          HG11      ILE   6  -6.059  -6.699  -3.177
   58   HG21  ILE   6          HG21      ILE   6  -3.778  -4.493  -5.032
   59   HG22  ILE   6          HG22      ILE   6  -2.785  -5.190  -3.753
   60   HG23  ILE   6          HG23      ILE   6  -3.327  -3.516  -3.632
   61   HD11  ILE   6          HD11      ILE   6  -6.677  -5.735  -5.231
   62   HD12  ILE   6          HD12      ILE   6  -5.888  -7.283  -5.546
   63   HD13  ILE   6          HD13      ILE   6  -5.007  -5.775  -5.793
   64    H    SER   7           HN       SER   7  -5.425  -3.650   0.403
   65    HA   SER   7           HA       SER   7  -8.284  -4.013   0.022
   66    HB2  SER   7           HB2      SER   7  -8.123  -4.754   2.680
   67    HB3  SER   7           HB1      SER   7  -8.486  -5.827   1.328
   68    HG   SER   7           HG       SER   7  -6.384  -6.455   1.262
   69    H    DTH   8           HN       DTC   8  -9.399  -3.255   2.256
   70    HA   DTH   8           HA       DTC   8  -8.319  -0.565   2.860
   71    HB   DTH   8           HB       DTC   8  -9.172  -0.611   5.154
   72   HG21  DTH   8          HG21      DTC   8  -6.877  -1.452   4.787
   73   HG22  DTH   8          HG22      DTC   8  -7.503  -3.091   4.583
   74   HG23  DTH   8          HG23      DTC   8  -7.671  -2.266   6.132
   75    H    ALA   9           HN       ALA   9 -10.901  -2.259   1.601
   76    HA   ALA   9           HA       ALA   9 -12.664  -0.075   1.496
   77    HB1  ALA   9           HB1      ALA   9 -13.370  -1.353  -0.181
   78    HB2  ALA   9           HB2      ALA   9 -14.045  -2.471   1.004
   79    HB3  ALA   9           HB3      ALA   9 -12.401  -2.701   0.408
   80    H    LEU  10           HN       LEU  10 -13.304  -3.247   2.583
   81    HA   LEU  10           HA       LEU  10 -15.347  -2.343   4.439
   82    HB2  LEU  10           HB2      LEU  10 -15.303  -4.854   5.146
   83    HB3  LEU  10           HB1      LEU  10 -15.965  -4.393   3.591
   84    HG   LEU  10           HG       LEU  10 -13.534  -4.918   2.732
   85   HD11  LEU  10          HD11      LEU  10 -12.608  -5.259   4.956
   86   HD12  LEU  10          HD12      LEU  10 -12.478  -6.710   3.961
   87   HD13  LEU  10          HD13      LEU  10 -13.718  -6.606   5.211
   88   HD21  LEU  10          HD21      LEU  10 -14.205  -7.292   2.392
   89   HD22  LEU  10          HD22      LEU  10 -15.446  -6.125   1.935
   90   HD23  LEU  10          HD23      LEU  10 -15.581  -7.006   3.456
   91    H    ILE  11           HN       ILE  11 -12.055  -3.496   4.593
   92    HA   ILE  11           HA       ILE  11 -12.121  -2.952   7.516
   93    HB   ILE  11           HB       ILE  11 -10.689  -5.236   6.128
   94   HG12  ILE  11          HG12      ILE  11 -12.431  -5.271   8.611
   95   HG13  ILE  11          HG11      ILE  11 -13.030  -5.651   6.999
   96   HG21  ILE  11          HG21      ILE  11 -10.263  -4.161   8.908
   97   HG22  ILE  11          HG22      ILE  11  -9.114  -4.099   7.571
   98   HG23  ILE  11          HG23      ILE  11  -9.567  -5.652   8.272
   99   HD11  ILE  11          HD11      ILE  11 -10.799  -7.140   8.371
  100   HD12  ILE  11          HD12      ILE  11 -11.611  -7.579   6.867
  101   HD13  ILE  11          HD13      ILE  11 -12.492  -7.639   8.393
  102    H    ZAE   1           HN1      DPH   1 -10.013   4.084   0.345
  103    HA   ZAE   1           HA       DPH   1  -8.844   3.370  -1.571
  104    HB2  ZAE   1           HB1      DPH   1 -11.121   1.494  -1.166
  105    HB3  ZAE   1           HB2      DPH   1 -11.264   3.192  -1.589
  106    HD1  ZAE   1           HD1      DPH   1  -9.512   3.775  -3.642
  107    HD2  ZAE   1           HD2      DPH   1 -11.555   0.086  -2.981
  108    HE1  ZAE   1           HE1      DPH   1  -9.428   3.296  -6.059
  109    HE2  ZAE   1           HE2      DPH   1 -11.466  -0.398  -5.397
  110    HZ   ZAE   1           HZ       DPH   1 -10.407   1.209  -6.939
  111    H11  ZAE   1          HN11      DPH   1  -9.988   1.275   1.220
  112    H12  ZAE   1          HN12      DPH   1 -11.402   2.273   0.868
  113    H13  ZAE   1          HN13      DPH   1 -10.374   2.656   2.247
  114    HN2  ZAE   1           HN2      DPH   1  -8.622   3.258   0.856
  115    H    ILE   2           HN       ILE   2  -6.884   2.550  -1.271
  116    HA   ILE   2           HA       ILE   2  -6.785  -0.388  -1.222
  117    HB   ILE   2           HB       ILE   2  -5.066   1.218  -3.138
  118   HG12  ILE   2          HG12      ILE   2  -7.504   1.375  -3.759
  119   HG13  ILE   2          HG11      ILE   2  -6.461   0.646  -4.976
  120   HG21  ILE   2          HG21      ILE   2  -4.565  -0.901  -4.190
  121   HG22  ILE   2          HG22      ILE   2  -5.657  -1.735  -3.085
  122   HG23  ILE   2          HG23      ILE   2  -4.191  -0.974  -2.467
  123   HD11  ILE   2          HD11      ILE   2  -8.604  -0.493  -4.727
  124   HD12  ILE   2          HD12      ILE   2  -8.175  -0.904  -3.064
  125   HD13  ILE   2          HD13      ILE   2  -7.219  -1.537  -4.406
  126    H    SER   3           HN       SER   3  -5.325  -1.136   0.052
  127    HA   SER   3           HA       SER   3  -3.072   0.491   0.774
  128    HB2  SER   3           HB2      SER   3  -5.014  -0.449   2.877
  129    HB3  SER   3           HB1      SER   3  -3.439   0.284   3.190
  130    HG   SER   3           HG       SER   3  -4.801   1.901   1.568
  131    H    DAR   4           HN       DAR   4  -1.431  -0.610   1.494
  132    HA   DAR   4           HA       DAR   4  -1.772  -3.511   1.273
  133    HB2  DAR   4           HB1      DAR   4  -0.442  -2.060   3.546
  134    HB3  DAR   4           HB2      DAR   4  -0.022  -3.714   3.139
  135    HG2  DAR   4           HG1      DAR   4  -2.840  -2.876   3.800
  136    HG3  DAR   4           HG2      DAR   4  -1.676  -3.402   5.014
  137    HD2  DAR   4           HD1      DAR   4  -1.905  -5.560   4.488
  138    HD3  DAR   4           HD2      DAR   4  -1.883  -5.239   2.755
  139    HE   DAR   4           HE       DAR   4  -4.198  -5.083   2.762
  140   HH11  DAR   4          HH21      DAR   4  -6.428  -5.938   5.357
  141   HH12  DAR   4          HH22      DAR   4  -6.255  -5.663   3.586
  142   HH21  DAR   4          HH11      DAR   4  -4.596  -5.818   6.728
  143   HH22  DAR   4          HH12      DAR   4  -2.975  -5.449   6.043
  144    HA   28J   5           HA       28J   5   2.136  -3.063  -0.544
  145    H22  28J   5           HB       28J   5   1.894  -3.539  -3.016
  146    H23  28J   5          HG21      28J   5  -0.978  -3.936  -2.187
  147    H24  28J   5          HG22      28J   5   0.063  -5.076  -3.039
  148    H25  28J   5          HG23      28J   5  -0.478  -3.604  -3.845
  149    H26  28J   5          HG11      28J   5   1.661  -1.278  -1.977
  150    H27  28J   5          HG12      28J   5  -0.069  -1.555  -1.856
  151    H28  28J   5          HD11      28J   5   1.519  -1.374  -4.399
  152    H29  28J   5          HD12      28J   5   0.415  -0.160  -3.754
  153    H30  28J   5          HD13      28J   5  -0.207  -1.719  -4.292
  154    H    ILE   6           HN       ILE   6   3.616  -4.396  -1.760
  155    HA   ILE   6           HA       ILE   6   3.362  -7.273  -1.068
  156    HB   ILE   6           HB       ILE   6   4.616  -7.807  -3.141
  157   HG12  ILE   6          HG12      ILE   6   3.959  -5.279  -4.475
  158   HG13  ILE   6          HG11      ILE   6   5.176  -5.110  -3.221
  159   HG21  ILE   6          HG21      ILE   6   2.753  -7.446  -4.743
  160   HG22  ILE   6          HG22      ILE   6   2.026  -6.341  -3.580
  161   HG23  ILE   6          HG23      ILE   6   2.184  -8.042  -3.176
  162   HD11  ILE   6          HD11      ILE   6   6.166  -5.441  -5.401
  163   HD12  ILE   6          HD12      ILE   6   5.302  -6.970  -5.569
  164   HD13  ILE   6          HD13      ILE   6   6.534  -6.783  -4.317
  165    H    SER   7           HN       SER   7   4.767  -7.642   0.571
  166    HA   SER   7           HA       SER   7   7.643  -7.265   0.186
  167    HB2  SER   7           HB2      SER   7   7.237  -6.215   2.755
  168    HB3  SER   7           HB1      SER   7   7.774  -5.322   1.325
  169    HG   SER   7           HG       SER   7   5.278  -5.440   0.945
  170    H    DTH   8           HN       DTC   8   8.875  -7.898   2.337
  171    HA   DTH   8           HA       DTC   8   7.710 -10.260   3.604
  172    HB   DTH   8           HB       DTC   8   8.695  -9.739   5.886
  173   HG21  DTH   8          HG21      DTC   8   6.275  -9.489   5.566
  174   HG22  DTH   8          HG22      DTC   8   6.494  -7.821   5.030
  175   HG23  DTH   8          HG23      DTC   8   6.905  -8.280   6.682
  176    H    ALA   9           HN       ALA   9  10.245  -9.162   1.938
  177    HA   ALA   9           HA       ALA   9  12.310 -10.779   2.930
  178    HB1  ALA   9           HB1      ALA   9  13.679  -9.475   1.347
  179    HB2  ALA   9           HB2      ALA   9  12.260  -8.484   1.013
  180    HB3  ALA   9           HB3      ALA   9  12.244 -10.213   0.649
  181    H    LEU  10           HN       LEU  10  12.067  -7.352   2.645
  182    HA   LEU  10           HA       LEU  10  14.399  -6.938   4.299
  183    HB2  LEU  10           HB2      LEU  10  12.643  -4.604   3.834
  184    HB3  LEU  10           HB1      LEU  10  14.378  -4.762   3.660
  185    HG   LEU  10           HG       LEU  10  13.747  -4.382   1.478
  186   HD11  LEU  10          HD11      LEU  10  13.753  -7.341   1.928
  187   HD12  LEU  10          HD12      LEU  10  15.056  -6.300   1.353
  188   HD13  LEU  10          HD13      LEU  10  13.670  -6.633   0.315
  189   HD21  LEU  10          HD21      LEU  10  11.510  -4.270   1.227
  190   HD22  LEU  10          HD22      LEU  10  11.208  -5.670   2.257
  191   HD23  LEU  10          HD23      LEU  10  11.717  -5.898   0.583
  192    H    ILE  11           HN       ILE  11  11.000  -7.083   4.721
  193    HA   ILE  11           HA       ILE  11  11.282  -6.519   7.573
  194    HB   ILE  11           HB       ILE  11   9.289  -4.972   5.865
  195   HG12  ILE  11          HG12      ILE  11  11.553  -3.892   7.578
  196   HG13  ILE  11          HG11      ILE  11  11.592  -3.978   5.821
  197   HG21  ILE  11          HG21      ILE  11   9.732  -4.968   8.840
  198   HG22  ILE  11          HG22      ILE  11   8.381  -5.729   7.998
  199   HG23  ILE  11          HG23      ILE  11   8.568  -3.975   7.961
  200   HD11  ILE  11          HD11      ILE  11   9.717  -2.314   7.501
  201   HD12  ILE  11          HD12      ILE  11   9.665  -2.429   5.742
  202   HD13  ILE  11          HD13      ILE  11  11.075  -1.730   6.539
  203    H    ZAE   1           HN1      DPH   1   9.296  -4.826  -0.575
  204    HA   ZAE   1           HA       DPH   1   7.669  -4.297  -2.358
  205    HB2  ZAE   1           HB1      DPH   1   9.995  -2.438  -2.430
  206    HB3  ZAE   1           HB2      DPH   1  10.120  -4.171  -2.644
  207    HD1  ZAE   1           HD1      DPH   1   7.982  -4.884  -4.409
  208    HD2  ZAE   1           HD2      DPH   1  10.507  -1.437  -4.469
  209    HE1  ZAE   1           HE1      DPH   1   7.716  -4.735  -6.857
  210    HE2  ZAE   1           HE2      DPH   1  10.231  -1.276  -6.914
  211    HZ   ZAE   1           HZ       DPH   1   8.834  -2.924  -8.111
  212    H11  ZAE   1          HN11      DPH   1   9.590  -3.388   1.261
  213    H12  ZAE   1          HN12      DPH   1   8.670  -2.129   0.433
  214    H13  ZAE   1          HN13      DPH   1  10.226  -2.656  -0.212
  215    HN2  ZAE   1           HN2      DPH   1   7.786  -4.319   0.002
  216    H    ILE   2           HN       ILE   2   5.835  -3.406  -2.084
  217    HA   ILE   2           HA       ILE   2   5.893  -0.467  -2.190
  218    HB   ILE   2           HB       ILE   2   3.679  -2.089  -3.463
  219   HG12  ILE   2          HG12      ILE   2   5.937  -2.638  -4.483
  220   HG13  ILE   2          HG11      ILE   2   4.704  -2.045  -5.589
  221   HG21  ILE   2          HG21      ILE   2   4.561   0.770  -3.830
  222   HG22  ILE   2          HG22      ILE   2   3.073   0.192  -3.081
  223   HG23  ILE   2          HG23      ILE   2   3.333  -0.032  -4.810
  224   HD11  ILE   2          HD11      ILE   2   6.874  -0.349  -4.404
  225   HD12  ILE   2          HD12      ILE   2   5.724   0.110  -5.661
  226   HD13  ILE   2          HD13      ILE   2   6.944  -1.121  -5.988
  227    H    SER   3           HN       SER   3   4.602   0.554  -0.886
  228    HA   SER   3           HA       SER   3   2.652  -0.920   0.618
  229    HB2  SER   3           HB2      SER   3   5.007   0.383   1.955
  230    HB3  SER   3           HB1      SER   3   3.529  -0.071   2.803
  231    HG   SER   3           HG       SER   3   4.639  -2.091   1.292
  232    H    DAR   4           HN       DAR   4   1.099   0.254   1.359
  233    HA   DAR   4           HA       DAR   4   1.282   3.088   0.625
  234    HB2  DAR   4           HB1      DAR   4   0.094   2.000   3.174
  235    HB3  DAR   4           HB2      DAR   4  -0.196   3.625   2.582
  236    HG2  DAR   4           HG1      DAR   4   2.595   2.642   3.117
  237    HG3  DAR   4           HG2      DAR   4   1.574   3.298   4.395
  238    HD2  DAR   4           HD1      DAR   4   2.080   5.370   3.807
  239    HD3  DAR   4           HD2      DAR   4   1.507   5.080   2.165
  240    HE   DAR   4           HE       DAR   4   3.684   4.743   1.476
  241   HH11  DAR   4          HH21      DAR   4   6.683   5.141   3.287
  242   HH12  DAR   4          HH22      DAR   4   5.950   5.030   1.647
  243   HH21  DAR   4          HH11      DAR   4   5.355   5.090   5.152
  244   HH22  DAR   4          HH12      DAR   4   3.570   4.947   4.989
  245    HA   28J   5           HA       28J   5  -2.900   2.470  -0.496
  246    H22  28J   5           HB       28J   5  -2.829   3.198  -3.034
  247    H23  28J   5          HG21      28J   5   0.096   2.687  -2.505
  248    H24  28J   5          HG22      28J   5  -0.596   4.288  -2.771
  249    H25  28J   5          HG23      28J   5  -0.663   3.075  -4.049
  250    H26  28J   5          HG11      28J   5  -3.052   0.890  -2.067
  251    H27  28J   5          HG12      28J   5  -1.301   0.774  -2.077
  252    H28  28J   5          HD11      28J   5  -1.320   1.051  -4.524
  253    H29  28J   5          HD12      28J   5  -3.084   1.048  -4.477
  254    H30  28J   5          HD13      28J   5  -2.184  -0.383  -3.972
  255    H    ILE   6           HN       ILE   6  -4.497   3.747  -1.726
  256    HA   ILE   6           HA       ILE   6  -4.286   6.662  -1.198
  257    HB   ILE   6           HB       ILE   6  -6.034   6.921  -2.936
  258   HG12  ILE   6          HG12      ILE   6  -5.527   4.194  -3.993
  259   HG13  ILE   6          HG11      ILE   6  -6.571   4.299  -2.586
  260   HG21  ILE   6          HG21      ILE   6  -3.735   7.235  -3.604
  261   HG22  ILE   6          HG22      ILE   6  -4.605   6.390  -4.879
  262   HG23  ILE   6          HG23      ILE   6  -3.514   5.497  -3.833
  263   HD11  ILE   6          HD11      ILE   6  -7.019   5.720  -5.192
  264   HD12  ILE   6          HD12      ILE   6  -8.087   5.734  -3.789
  265   HD13  ILE   6          HD13      ILE   6  -7.808   4.229  -4.672
  266    H    SER   7           HN       SER   7  -5.328   7.231   0.630
  267    HA   SER   7           HA       SER   7  -8.128   6.550   1.012
  268    HB2  SER   7           HB2      SER   7  -6.083   5.723   3.075
  269    HB3  SER   7           HB1      SER   7  -7.838   5.569   3.232
  270    HG   SER   7           HG       SER   7  -6.909   4.445   0.942
  271    H    DTH   8           HN       DTC   8  -8.915   7.461   3.172
  272    HA   DTH   8           HA       DTC   8  -7.587  10.043   3.740
  273    HB   DTH   8           HB       DTC   8  -8.447  10.033   6.098
  274   HG21  DTH   8          HG21      DTC   8  -6.106   9.430   5.617
  275   HG22  DTH   8          HG22      DTC   8  -6.559   7.728   5.482
  276   HG23  DTH   8          HG23      DTC   8  -6.737   8.575   7.019
  277    H    ALA   9           HN       ALA   9 -10.537   8.352   3.166
  278    HA   ALA   9           HA       ALA   9 -12.258  10.670   3.333
  279    HB1  ALA   9           HB1      ALA   9 -12.199   8.347   1.874
  280    HB2  ALA   9           HB2      ALA   9 -13.558   9.460   1.980
  281    HB3  ALA   9           HB3      ALA   9 -13.475   8.056   3.042
  282    H    LEU  10           HN       LEU  10 -12.679   7.416   4.318
  283    HA   LEU  10           HA       LEU  10 -14.355   8.231   6.582
  284    HB2  LEU  10           HB2      LEU  10 -14.405   5.601   6.861
  285    HB3  LEU  10           HB1      LEU  10 -15.389   6.420   5.667
  286    HG   LEU  10           HG       LEU  10 -14.269   4.337   4.854
  287   HD11  LEU  10          HD11      LEU  10 -14.497   5.195   2.843
  288   HD12  LEU  10          HD12      LEU  10 -13.071   6.210   3.054
  289   HD13  LEU  10          HD13      LEU  10 -14.648   6.785   3.593
  290   HD21  LEU  10          HD21      LEU  10 -12.142   4.252   5.750
  291   HD22  LEU  10          HD22      LEU  10 -11.814   5.953   5.416
  292   HD23  LEU  10          HD23      LEU  10 -11.830   4.781   4.098
  293    H    ILE  11           HN       ILE  11 -11.171   7.356   5.925
  294    HA   ILE  11           HA       ILE  11 -10.639   7.119   8.816
  295    HB   ILE  11           HB       ILE  11  -9.668   5.167   6.707
  296   HG12  ILE  11          HG12      ILE  11 -10.792   4.669   9.484
  297   HG13  ILE  11          HG11      ILE  11 -11.743   4.577   8.006
  298   HG21  ILE  11          HG21      ILE  11  -8.532   5.589   9.464
  299   HG22  ILE  11          HG22      ILE  11  -7.749   6.044   7.950
  300   HG23  ILE  11          HG23      ILE  11  -8.043   4.344   8.315
  301   HD11  ILE  11          HD11      ILE  11  -9.418   2.811   8.766
  302   HD12  ILE  11          HD12      ILE  11 -10.278   2.738   7.230
  303   HD13  ILE  11          HD13      ILE  11 -11.123   2.362   8.731
  304    H    ZAE   1           HN1      DPH   1  -8.461  15.863   1.211
  305    HA   ZAE   1           HA       DPH   1  -7.924  14.804  -0.792
  306    HB2  ZAE   1           HB1      DPH   1 -10.148  13.067   0.258
  307    HB3  ZAE   1           HB2      DPH   1 -10.381  14.792   0.000
  308    HD1  ZAE   1           HD1      DPH   1  -9.937  15.721  -2.345
  309    HD2  ZAE   1           HD2      DPH   1 -10.334  11.557  -1.514
  310    HE1  ZAE   1           HE1      DPH   1 -10.409  15.290  -4.731
  311    HE2  ZAE   1           HE2      DPH   1 -10.795  11.133  -3.889
  312    HZ   ZAE   1           HZ       DPH   1 -10.839  12.987  -5.502
  313    H11  ZAE   1          HN11      DPH   1  -8.662  13.191   2.430
  314    H12  ZAE   1          HN12      DPH   1  -9.972  14.346   2.177
  315    H13  ZAE   1          HN13      DPH   1  -8.682  14.715   3.322
  316    HN2  ZAE   1           HN2      DPH   1  -7.119  14.886   1.539
  317    H    ILE   2           HN       ILE   2  -6.612  13.387  -1.701
  318    HA   ILE   2           HA       ILE   2  -6.533  10.626  -0.814
  319    HB   ILE   2           HB       ILE   2  -5.018  11.980  -3.077
  320   HG12  ILE   2          HG12      ILE   2  -7.509  12.014  -3.326
  321   HG13  ILE   2          HG11      ILE   2  -6.662  11.143  -4.595
  322   HG21  ILE   2          HG21      ILE   2  -4.723   9.660  -3.940
  323   HG22  ILE   2          HG22      ILE   2  -5.383   9.061  -2.418
  324   HG23  ILE   2          HG23      ILE   2  -3.878   9.977  -2.424
  325   HD11  ILE   2          HD11      ILE   2  -8.560   9.878  -4.078
  326   HD12  ILE   2          HD12      ILE   2  -8.281  10.016  -2.341
  327   HD13  ILE   2          HD13      ILE   2  -7.202   9.035  -3.334
  328    H    SER   3           HN       SER   3  -5.088   9.926   0.645
  329    HA   SER   3           HA       SER   3  -2.486  11.271   0.739
  330    HB2  SER   3           HB2      SER   3  -3.965  10.343   3.202
  331    HB3  SER   3           HB1      SER   3  -2.353  11.055   3.166
  332    HG   SER   3           HG       SER   3  -3.837  12.795   1.958
  333    H    DAR   4           HN       DAR   4  -0.741  10.020   1.171
  334    HA   DAR   4           HA       DAR   4  -1.214   7.125   0.973
  335    HB2  DAR   4           HB1      DAR   4   0.903   8.620   2.512
  336    HB3  DAR   4           HB2      DAR   4   0.955   6.887   2.216
  337    HG2  DAR   4           HG1      DAR   4  -1.284   8.298   3.641
  338    HG3  DAR   4           HG2      DAR   4   0.076   7.507   4.443
  339    HD2  DAR   4           HD1      DAR   4  -0.824   5.486   4.175
  340    HD3  DAR   4           HD2      DAR   4  -1.174   5.791   2.473
  341    HE   DAR   4           HE       DAR   4  -3.285   6.593   3.063
  342   HH11  DAR   4          HH21      DAR   4  -4.924   6.010   6.118
  343   HH12  DAR   4          HH22      DAR   4  -5.131   6.489   4.397
  344   HH21  DAR   4          HH11      DAR   4  -2.836   5.466   6.926
  345   HH22  DAR   4          HH12      DAR   4  -1.411   5.518   5.827
  346    HA   28J   5           HA       28J   5   1.904   7.556  -2.029
  347    H22  28J   5           HB       28J   5   0.619   6.243  -4.149
  348    H23  28J   5          HG21      28J   5  -1.618   7.059  -4.192
  349    H24  28J   5          HG22      28J   5  -1.375   7.987  -2.713
  350    H25  28J   5          HG23      28J   5  -1.399   6.224  -2.654
  351    H26  28J   5          HG11      28J   5   1.908   8.383  -4.242
  352    H27  28J   5          HG12      28J   5   0.559   9.200  -3.461
  353    H28  28J   5          HD11      28J   5  -0.873   8.658  -5.370
  354    H29  28J   5          HD12      28J   5   0.493   7.870  -6.159
  355    H30  28J   5          HD13      28J   5   0.538   9.605  -5.846
  356    H    ILE   6           HN       ILE   6   2.909   6.083  -3.663
  357    HA   ILE   6           HA       ILE   6   3.055   3.308  -2.709
  358    HB   ILE   6           HB       ILE   6   3.933   2.821  -4.976
  359   HG12  ILE   6          HG12      ILE   6   4.525   5.434  -5.156
  360   HG13  ILE   6          HG11      ILE   6   4.341   4.355  -6.526
  361   HG21  ILE   6          HG21      ILE   6   1.262   4.223  -4.964
  362   HG22  ILE   6          HG22      ILE   6   1.559   2.525  -4.602
  363   HG23  ILE   6          HG23      ILE   6   1.830   3.136  -6.234
  364   HD11  ILE   6          HD11      ILE   6   2.229   6.136  -5.423
  365   HD12  ILE   6          HD12      ILE   6   2.073   5.066  -6.817
  366   HD13  ILE   6          HD13      ILE   6   3.194   6.428  -6.869
  367    H    SER   7           HN       SER   7   4.780   3.100  -1.249
  368    HA   SER   7           HA       SER   7   7.444   3.627  -2.310
  369    HB2  SER   7           HB2      SER   7   7.982   4.731   0.048
  370    HB3  SER   7           HB1      SER   7   7.452   5.696  -1.329
  371    HG   SER   7           HG       SER   7   5.412   5.758  -0.489
  372    H    DTH   8           HN       DTC   8   9.149   3.125  -0.497
  373    HA   DTH   8           HA       DTC   8   8.421   0.568   0.819
  374    HB   DTH   8           HB       DTC   8  10.197   0.922   2.523
  375   HG21  DTH   8          HG21      DTC   8   7.900   1.596   3.071
  376   HG22  DTH   8          HG22      DTC   8   8.174   3.192   2.365
  377   HG23  DTH   8          HG23      DTC   8   9.065   2.696   3.804
  378    H    ALA   9           HN       ALA   9  10.512   2.202  -1.329
  379    HA   ALA   9           HA       ALA   9  12.197  -0.056  -1.830
  380    HB1  ALA   9           HB1      ALA   9  12.081   2.731  -2.954
  381    HB2  ALA   9           HB2      ALA   9  11.417   1.266  -3.679
  382    HB3  ALA   9           HB3      ALA   9  13.162   1.465  -3.529
  383    H    LEU  10           HN       LEU  10  12.881   3.276  -1.537
  384    HA   LEU  10           HA       LEU  10  15.483   2.701  -0.312
  385    HB2  LEU  10           HB2      LEU  10  15.474   5.386  -0.308
  386    HB3  LEU  10           HB1      LEU  10  15.948   4.424  -1.693
  387    HG   LEU  10           HG       LEU  10  14.462   6.325  -2.266
  388   HD11  LEU  10          HD11      LEU  10  14.495   4.685  -3.872
  389   HD12  LEU  10          HD12      LEU  10  12.776   4.827  -3.511
  390   HD13  LEU  10          HD13      LEU  10  13.713   3.497  -2.831
  391   HD21  LEU  10          HD21      LEU  10  12.561   4.834  -0.491
  392   HD22  LEU  10          HD22      LEU  10  11.977   5.859  -1.802
  393   HD23  LEU  10          HD23      LEU  10  12.951   6.553  -0.507
  394    H    ILE  11           HN       ILE  11  12.338   3.596   0.599
  395    HA   ILE  11           HA       ILE  11  13.324   4.082   3.345
  396    HB   ILE  11           HB       ILE  11  11.213   5.808   1.994
  397   HG12  ILE  11          HG12      ILE  11  13.852   6.650   3.231
  398   HG13  ILE  11          HG11      ILE  11  13.605   6.445   1.502
  399   HG21  ILE  11          HG21      ILE  11  12.221   5.961   4.826
  400   HG22  ILE  11          HG22      ILE  11  10.715   5.177   4.350
  401   HG23  ILE  11          HG23      ILE  11  10.925   6.910   4.098
  402   HD11  ILE  11          HD11      ILE  11  12.233   8.452   3.285
  403   HD12  ILE  11          HD12      ILE  11  11.899   8.229   1.569
  404   HD13  ILE  11          HD13      ILE  11  13.489   8.782   2.093
  405    H1   ALA   1           HN       ALA   1 -17.981  -9.177  -4.104
  406    HA   ALA   1           HA       ALA   1 -20.112  -8.907  -5.904
  407    HB1  ALA   1           HB1      ALA   1 -19.992  -6.527  -5.279
  408    HB2  ALA   1           HB2      ALA   1 -19.688  -6.813  -7.009
  409    HB3  ALA   1           HB3      ALA   1 -18.345  -6.484  -5.905
  410    H    DGL   2           HN       DGL   2 -18.959  -7.997  -8.230
  411    HA   DGL   2           HA       DGL   2 -17.290  -8.420  -9.852
  412    HB2  DGL   2           HB1      DGL   2 -16.424 -10.809  -9.853
  413    HB3  DGL   2           HB2      DGL   2 -18.159 -10.598 -10.035
  414    HG2  DGL   2           HG1      DGL   2 -18.554 -12.035  -8.308
  415    HG3  DGL   2           HG2      DGL   2 -17.669 -11.016  -7.178
  416    H    LYS   3           HN       LYS   3 -15.234 -11.532  -8.976
  417    HA   LYS   3           HA       LYS   3 -13.475 -12.789  -9.074
  418    HB2  LYS   3           HB2      LYS   3 -14.076 -12.560  -6.492
  419    HB3  LYS   3           HB1      LYS   3 -13.935 -14.322  -6.614
  420    HG2  LYS   3           HG2      LYS   3 -11.819 -13.737  -8.075
  421    HG3  LYS   3           HG1      LYS   3 -11.909 -12.188  -7.251
  422    HD2  LYS   3           HD2      LYS   3 -10.359 -13.320  -5.913
  423    HD3  LYS   3           HD1      LYS   3 -11.890 -13.473  -5.121
  424    HE2  LYS   3           HE2      LYS   3 -10.958 -15.513  -4.692
  425    HE3  LYS   3           HE1      LYS   3 -12.211 -15.647  -6.174
  426    HZ1  LYS   3           HZ1      LYS   3 -10.098 -16.134  -7.481
  427    HZ2  LYS   3           HZ2      LYS   3 -10.931 -17.292  -6.617
  428    HZ3  LYS   3           HZ3      LYS   3  -9.558 -16.610  -5.962
  429    H    DAL   4           HN       DAL   4 -13.631 -13.599 -10.786
  430    HA   DAL   4           HA       DAL   4 -13.578 -15.256 -12.788
  431    HB1  DAL   4           HB1      DAL   4 -15.824 -15.294 -12.869
  432    HB2  DAL   4           HB2      DAL   4 -15.866 -16.728 -11.842
  433    HB3  DAL   4           HB3      DAL   4 -15.025 -16.781 -13.441
  434    H    DAL   5           HN       DAL   5 -11.297 -15.181 -12.025
  435    HA   DAL   5           HA       DAL   5  -8.987 -16.236 -11.552
  436    HB1  DAL   5           HB1      DAL   5 -10.901 -18.557 -11.511
  437    HB2  DAL   5           HB2      DAL   5  -9.200 -18.639 -11.886
  438    HB3  DAL   5           HB3      DAL   5 -10.343 -17.994 -13.078
  439    H1   ALA   1           HN       ALA   1  17.183 -12.840  -3.506
  440    HA   ALA   1           HA       ALA   1  19.237 -13.554  -5.288
  441    HB1  ALA   1           HB1      ALA   1  20.292 -14.764  -3.544
  442    HB2  ALA   1           HB2      ALA   1  19.548 -15.951  -4.641
  443    HB3  ALA   1           HB3      ALA   1  18.778 -15.550  -3.100
  444    H    DGL   2           HN       DGL   2  17.430 -16.286  -4.021
  445    HA   DGL   2           HA       DGL   2  15.366 -17.155  -4.575
  446    HB2  DGL   2           HB1      DGL   2  15.156 -17.062  -7.332
  447    HB3  DGL   2           HB2      DGL   2  16.094 -18.289  -6.497
  448    HG2  DGL   2           HG1      DGL   2  17.941 -17.661  -7.688
  449    HG3  DGL   2           HG2      DGL   2  17.944 -16.102  -6.870
  450    H    LYS   3           HN       LYS   3  16.490 -14.459  -7.921
  451    HA   LYS   3           HA       LYS   3  15.872 -13.173  -9.549
  452    HB2  LYS   3           HB2      LYS   3  18.399 -13.693  -9.968
  453    HB3  LYS   3           HB1      LYS   3  17.779 -14.285 -11.520
  454    HG2  LYS   3           HG2      LYS   3  16.357 -11.919 -10.976
  455    HG3  LYS   3           HG1      LYS   3  18.015 -11.563 -10.517
  456    HD2  LYS   3           HD2      LYS   3  18.032 -10.843 -12.734
  457    HD3  LYS   3           HD1      LYS   3  18.656 -12.456 -12.767
  458    HE2  LYS   3           HE1      LYS   3  16.877 -11.644 -14.569
  459    HE3  LYS   3           HE2      LYS   3  17.203 -13.433 -13.879
  460    HZ1  LYS   3           HZ1      LYS   3  15.100 -13.723 -13.276
  461    HZ2  LYS   3           HZ2      LYS   3  14.869 -12.827 -14.733
  462    HZ3  LYS   3           HZ3      LYS   3  14.829 -12.064 -13.236
  463    H    DAL   4           HN       DAL   4  14.361 -15.116  -9.022
  464    HA   DAL   4           HA       DAL   4  11.965 -15.995  -9.492
  465    HB1  DAL   4           HB1      DAL   4  12.982 -17.677 -11.525
  466    HB2  DAL   4           HB2      DAL   4  11.446 -17.736 -10.660
  467    HB3  DAL   4           HB3      DAL   4  12.991 -18.081  -9.789
  468    H    DAL   5           HN       DAL   5  12.485 -13.283  -9.657
  469    HA   DAL   5           HA       DAL   5  11.489 -11.026 -10.428
  470    HB1  DAL   5           HB1      DAL   5   9.999 -13.070 -12.059
  471    HB2  DAL   5           HB2      DAL   5   9.426 -11.478 -11.636
  472    HB3  DAL   5           HB3      DAL   5   9.431 -12.771 -10.424
  473    H1   ALA   1           HN       ALA   1 -15.752  13.046  -2.118
  474    HA   ALA   1           HA       ALA   1 -15.926  14.848  -4.264
  475    HB1  ALA   1           HB1      ALA   1 -13.583  14.313  -4.656
  476    HB2  ALA   1           HB2      ALA   1 -14.610  13.746  -5.995
  477    HB3  ALA   1           HB3      ALA   1 -14.001  12.605  -4.788
  478    H    DGL   2           HN       DGL   2 -15.404  11.269  -3.931
  479    HA   DGL   2           HA       DGL   2 -17.509  10.515  -5.696
  480    HB2  DGL   2           HB1      DGL   2 -18.160  11.480  -3.080
  481    HB3  DGL   2           HB2      DGL   2 -18.479   9.754  -3.035
  482    HG2  DGL   2           HG1      DGL   2 -19.825  10.793  -5.354
  483    HG3  DGL   2           HG2      DGL   2 -20.350  11.787  -3.998
  484    H    LYS   3           HN       LYS   3 -19.381   8.516  -3.408
  485    HA   LYS   3           HA       LYS   3 -20.367   6.802  -2.524
  486    HB2  LYS   3           HB2      LYS   3 -21.528   8.588  -1.199
  487    HB3  LYS   3           HB1      LYS   3 -22.964   8.254  -2.183
  488    HG2  LYS   3           HG2      LYS   3 -21.949   5.735  -1.518
  489    HG3  LYS   3           HG1      LYS   3 -21.728   6.678  -0.052
  490    HD2  LYS   3           HD2      LYS   3 -23.832   5.705   0.328
  491    HD3  LYS   3           HD1      LYS   3 -24.115   7.314  -0.241
  492    HE2  LYS   3           HE1      LYS   3 -25.715   5.547  -1.103
  493    HE3  LYS   3           HE2      LYS   3 -24.854   6.870  -2.237
  494    HZ1  LYS   3           HZ1      LYS   3 -25.635   4.519  -3.188
  495    HZ2  LYS   3           HZ2      LYS   3 -24.118   4.183  -2.573
  496    HZ3  LYS   3           HZ3      LYS   3 -24.313   5.457  -3.628
  497    H    DAL   4           HN       DAL   4 -19.800   6.496  -4.711
  498    HA   DAL   4           HA       DAL   4 -19.761   4.725  -6.620
  499    HB1  DAL   4           HB1      DAL   4 -21.781   6.213  -7.919
  500    HB2  DAL   4           HB2      DAL   4 -20.678   4.993  -8.559
  501    HB3  DAL   4           HB3      DAL   4 -20.041   6.588  -7.997
  502    H    DAL   5           HN       DAL   5 -20.086   3.599  -4.218
  503    HA   DAL   5           HA       DAL   5 -20.892   1.578  -2.889
  504    HB1  DAL   5           HB1      DAL   5 -20.662   0.594  -5.099
  505    HB2  DAL   5           HB2      DAL   5 -22.136   1.296  -5.707
  506    HB3  DAL   5           HB3      DAL   5 -22.203  -0.068  -4.575
  507    H1   ALA   1           HN       ALA   1   9.140   3.336 -11.134
  508    HA   ALA   1           HA       ALA   1   7.695   1.875 -13.043
  509    HB1  ALA   1           HB1      ALA   1   6.856   0.593 -11.161
  510    HB2  ALA   1           HB2      ALA   1   5.551   1.525 -11.934
  511    HB3  ALA   1           HB3      ALA   1   6.266   2.077 -10.413
  512    H    DGL   2           HN       DGL   2   5.193   3.265 -11.394
  513    HA   DGL   2           HA       DGL   2   4.238   5.355 -11.287
  514    HB2  DGL   2           HB1      DGL   2   4.890   6.718 -13.608
  515    HB3  DGL   2           HB2      DGL   2   3.595   5.535 -13.537
  516    HG2  DGL   2           HG1      DGL   2   4.604   4.255 -15.134
  517    HG3  DGL   2           HG2      DGL   2   6.057   4.069 -14.157
  518    H    LYS   3           HN       LYS   3   6.064   7.211 -14.435
  519    HA   LYS   3           HA       LYS   3   7.014   8.767 -15.606
  520    HB2  LYS   3           HB2      LYS   3   8.728   6.441 -15.845
  521    HB3  LYS   3           HB1      LYS   3   9.085   7.711 -17.029
  522    HG2  LYS   3           HG2      LYS   3   8.982   7.927 -14.034
  523    HG3  LYS   3           HG1      LYS   3  10.355   8.238 -15.087
  524    HD2  LYS   3           HD2      LYS   3   9.901  10.436 -15.011
  525    HD3  LYS   3           HD1      LYS   3   8.507  10.023 -15.947
  526    HE2  LYS   3           HE1      LYS   3   8.387  10.367 -13.006
  527    HE3  LYS   3           HE2      LYS   3   7.677  11.405 -14.490
  528    HZ1  LYS   3           HZ1      LYS   3   6.307   8.975 -13.573
  529    HZ2  LYS   3           HZ2      LYS   3   5.772  10.325 -14.503
  530    HZ3  LYS   3           HZ3      LYS   3   6.117  10.489 -12.867
  531    H    DAL   4           HN       DAL   4   4.773   7.667 -16.497
  532    HA   DAL   4           HA       DAL   4   2.972   7.619 -18.434
  533    HB1  DAL   4           HB1      DAL   4   4.223   6.522 -19.942
  534    HB2  DAL   4           HB2      DAL   4   4.862   8.044 -20.565
  535    HB3  DAL   4           HB3      DAL   4   3.088   7.711 -20.631
  536    H    DAL   5           HN       DAL   5   2.859   9.073 -16.237
  537    HA   DAL   5           HA       DAL   5   1.708  11.137 -15.177
  538    HB1  DAL   5           HB1      DAL   5   2.056  11.954 -18.053
  539    HB2  DAL   5           HB2      DAL   5   0.908  12.631 -16.929
  540    HB3  DAL   5           HB3      DAL   5   0.618  11.033 -17.640
  541    H12  P1W 103           H12      TPL  10 -10.544  -4.947  -1.987
  542    H11  P1W 103           H11      TPL  10 -11.856  -5.927  -1.345
  543    H2   P1W 103           H2       TPL  10  -9.388  -6.662   0.009
  544    H43  P1W 103           H42      TPL  10  -7.494  -8.371  -1.797
  545    H42  P1W 103           H41      TPL  10  -8.523  -8.772  -0.421
  546    H51  P1W 103           H51      TPL  10  -8.940  -7.782  -3.977
  547    H52  P1W 103           H52      TPL  10 -10.105  -6.498  -3.657
  548    H53  P1W 103           H53      TPL  10 -10.620  -8.184  -3.603
  549    H12  P1W 104           H12      TPL  11  -9.052 -10.694  -1.385
  550    H11  P1W 104           H11      TPL  11  -9.767  -9.827  -2.742
  551    H2   P1W 104           H2       TPL  11  -6.865 -10.748  -2.518
  552    H43  P1W 104           H42      TPL  11  -5.996 -11.654  -4.607
  553    H42  P1W 104           H41      TPL  11  -7.177 -12.102  -5.839
  554    H51  P1W 104           H51      TPL  11  -9.981 -11.397  -4.553
  555    H52  P1W 104           H52      TPL  11  -9.164 -11.017  -6.068
  556    H53  P1W 104           H53      TPL  11  -9.664  -9.718  -4.989
  557    H12  P1W 105           H12      TPL  11   7.503  -8.086  -6.989
  558    H11  P1W 105           H11      TPL  11   8.760  -6.878  -6.739
  559    H2   P1W 105           H2       TPL  11   9.228  -9.642  -7.949
  560    H43  P1W 105           H42      TPL  11  10.801  -9.641  -9.735
  561    H42  P1W 105           H41      TPL  11  10.456  -8.294 -10.828
  562    H51  P1W 105           H51      TPL  11   9.050  -6.000  -8.718
  563    H52  P1W 105           H52      TPL  11  10.434  -6.057  -9.809
  564    H53  P1W 105           H53      TPL  11  10.687  -5.975  -8.068
  565    H12  P1W 106           H12      TPL  12  -6.607 -10.373  -7.132
  566    H11  P1W 106           H11      TPL  12  -6.721  -9.236  -5.791
  567    H2   P1W 106           H2       TPL  12  -4.405  -9.927  -5.075
  568    H43  P1W 106           H43      TPL  12  -2.193  -9.142  -6.637
  569    H41  P1W 106           H41      TPL  12  -2.002 -10.311  -7.951
  570    H42  P1W 106           H42      TPL  12  -2.105 -10.868  -6.282
  571    H51  P1W 106           H51      TPL  12  -3.626 -10.777  -9.155
  572    H52  P1W 106           H52      TPL  12  -4.973  -9.664  -8.916
  573    H53  P1W 106           H53      TPL  12  -5.158 -11.373  -8.516
  574    H12  P1W 107           H12      TPL  12  12.676  -7.925 -10.756
  575    H11  P1W 107           H11      TPL  12  12.352  -7.211  -9.179
  576    H2   P1W 107           H2       TPL  12  12.591 -10.043  -8.780
  577    H43  P1W 107           H43      TPL  12  15.785 -10.713  -8.852
  578    H41  P1W 107           H41      TPL  12  14.585 -10.796  -7.555
  579    H42  P1W 107           H42      TPL  12  15.959  -9.700  -7.419
  580    H51  P1W 107           H51      TPL  12  16.280  -7.992  -9.118
  581    H52  P1W 107           H52      TPL  12  15.064  -7.064  -8.239
  582    H53  P1W 107           H53      TPL  12  14.899  -7.307  -9.978
  583    H12  P1W 103           H12      TPL  10  10.689  -6.712  -2.069
  584    H11  P1W 103           H11      TPL  10   9.261  -5.678  -2.248
  585    H2   P1W 103           H2       TPL  10   8.603  -8.443  -2.852
  586    H43  P1W 103           H42      TPL  10   9.485  -9.412  -5.551
  587    H42  P1W 103           H41      TPL  10   7.918  -8.897  -4.962
  588    H51  P1W 103           H51      TPL  10  11.450  -6.640  -4.315
  589    H52  P1W 103           H52      TPL  10  10.275  -5.743  -5.268
  590    H53  P1W 103           H53      TPL  10  11.034  -7.179  -5.946
  591    H12  P1W 103           H12      TPL  10 -12.982   4.837   1.626
  592    H11  P1W 103           H11      TPL  10 -11.587   4.546   0.588
  593    H2   P1W 103           H2       TPL  10 -14.276   5.153  -0.234
  594    H43  P1W 103           H42      TPL  10 -14.566   4.962  -2.788
  595    H42  P1W 103           H41      TPL  10 -14.463   6.690  -2.424
  596    H51  P1W 103           H51      TPL  10 -11.146   6.293  -2.781
  597    H52  P1W 103           H52      TPL  10 -11.365   4.545  -2.881
  598    H53  P1W 103           H53      TPL  10 -10.718   5.265  -1.404
  599    H12  P1W 103           H12      TPL  10  10.172   6.639  -3.046
  600    H11  P1W 103           H11      TPL  10   8.956   7.159  -1.886
  601    H2   P1W 103           H2       TPL  10   7.825   6.347  -4.515
  602    H43  P1W 103           H42      TPL  10   7.831   9.473  -6.148
  603    H42  P1W 103           H41      TPL  10   7.127   7.857  -6.083
  604    H51  P1W 103           H51      TPL  10   9.142   9.558  -2.774
  605    H52  P1W 103           H52      TPL  10   8.735  10.489  -4.214
  606    H53  P1W 103           H53      TPL  10  10.155   9.444  -4.218
  607    H12  P1W 104           H12      TPL  11 -12.956   7.100  -4.089
  608    H11  P1W 104           H11      TPL  11 -12.373   5.440  -4.157
  609    H2   P1W 104           H2       TPL  11 -14.580   6.659  -5.653
  610    H43  P1W 104           H42      TPL  11 -15.044   5.056  -7.755
  611    H42  P1W 104           H41      TPL  11 -14.946   3.339  -7.353
  612    H51  P1W 104           H51      TPL  11 -13.480   2.638  -6.128
  613    H52  P1W 104           H52      TPL  11 -13.195   3.284  -4.514
  614    H53  P1W 104           H53      TPL  11 -12.201   3.818  -5.863
  615    H12  P1W 105           H12      TPL  11   5.230   8.684  -5.299
  616    H11  P1W 105           H11      TPL  11   6.069   9.396  -3.923
  617    H2   P1W 105           H2       TPL  11   5.468  10.709  -6.598
  618    H43  P1W 105           H42      TPL  11   5.839  13.933  -4.716
  619    H42  P1W 105           H41      TPL  11   5.981  13.276  -6.348
  620    H51  P1W 105           H51      TPL  11   6.828  11.514  -3.038
  621    H52  P1W 105           H52      TPL  11   5.123  11.092  -2.886
  622    H53  P1W 105           H53      TPL  11   5.612  12.785  -2.908
  623    H12  P1W 106           H12      TPL  12 -16.782   5.305  -5.980
  624    H11  P1W 106           H11      TPL  12 -17.269   4.243  -7.298
  625    H2   P1W 106           H2       TPL  12 -16.637   2.267  -5.850
  626    H43  P1W 106           H43      TPL  12 -17.824   1.369  -3.827
  627    H41  P1W 106           H41      TPL  12 -18.350   2.509  -2.581
  628    H42  P1W 106           H42      TPL  12 -16.652   2.050  -2.699
  629    H51  P1W 106           H51      TPL  12 -17.912   4.676  -2.605
  630    H52  P1W 106           H52      TPL  12 -18.346   5.277  -4.206
  631    H53  P1W 106           H53      TPL  12 -16.679   5.395  -3.641
  632    H12  P1W 107           H12      TPL  12   3.609  12.762  -6.383
  633    H11  P1W 107           H11      TPL  12   3.436  13.305  -4.716
  634    H2   P1W 107           H2       TPL  12   3.718  15.593  -5.336
  635    H43  P1W 107           H43      TPL  12   4.231  17.024  -8.429
  636    H41  P1W 107           H41      TPL  12   3.314  17.300  -6.942
  637    H42  P1W 107           H42      TPL  12   2.491  16.741  -8.398
  638    H51  P1W 107           H51      TPL  12   4.669  13.701  -8.504
  639    H52  P1W 107           H52      TPL  12   3.714  14.799  -9.500
  640    H53  P1W 107           H53      TPL  12   2.912  13.550  -8.546
  641    H1   MUB 101           H1       NAM   6 -15.420  -5.959  -1.873
  642    H2   MUB 101           H2       NAM   6 -17.118  -6.817  -0.701
  643    HN2  MUB 101           HN2      NAM   6 -16.656  -7.593   1.343
  644    H81  MUB 101           H81      NAM   6 -16.654  -9.806   2.672
  645    H82  MUB 101           H82      NAM   6 -14.990  -9.250   2.783
  646    H83  MUB 101           H83      NAM   6 -15.306 -10.871   2.176
  647    H3   MUB 101           H3       NAM   6 -16.003  -9.667  -1.415
  648    H9   MUB 101           H9       NAM   6 -18.214  -7.592  -2.242
  649   H111  MUB 101          H111      NAM   6 -20.008  -8.314   0.116
  650   H112  MUB 101          H112      NAM   6 -20.342  -6.963  -0.925
  651   H113  MUB 101          H113      NAM   6 -18.819  -6.949  -0.108
  652    H4A  MUB 101           H4       NAM   6 -16.967  -7.834  -3.664
  653    H5   MUB 101           H5       NAM   6 -14.106  -8.729  -3.713
  654    H61  MUB 101           H61      NAM   6 -14.955  -7.083  -5.176
  655    H62  MUB 101           H62      NAM   6 -13.546  -6.380  -4.297
  656    HO6  MUB 101           HO6      NAM   6 -15.889  -5.275  -4.525
  657    H1   NAG 102           H1       NAG   7 -16.184 -10.939  -2.596
  658    H2   NAG 102           H2       NAG   7 -16.085 -11.850  -5.569
  659    H3   NAG 102           H3       NAG   7 -16.072 -13.434  -2.980
  660    H4   NAG 102           H4       NAG   7 -13.776 -13.257  -4.891
  661    H5   NAG 102           H5       NAG   7 -13.989 -11.827  -2.037
  662    H61  NAG 102           H61      NAG   7 -11.868 -11.455  -4.151
  663    H62  NAG 102           H62      NAG   7 -11.772 -12.427  -2.684
  664    H81  NAG 102           H81      NAG   7 -20.455 -12.488  -2.805
  665    H82  NAG 102           H82      NAG   7 -20.232 -13.050  -4.457
  666    H83  NAG 102           H83      NAG   7 -20.336 -11.319  -4.149
  667    HN2  NAG 102           HN2      NAG   7 -18.135 -11.822  -5.493
  668    HO3  NAG 102           HO3      NAG   7 -16.076 -13.929  -5.738
  669    HO4  NAG 102           HO4      NAG   7 -14.114 -15.000  -3.433
  670    HO6  NAG 102           HO6      NAG   7 -12.748  -9.868  -2.343
  671    H1   MUB 101           H1       NAM   6  13.777 -11.074  -2.429
  672    H2   MUB 101           H2       NAM   6  15.680 -11.634  -1.479
  673    HN2  MUB 101           HN2      NAM   6  15.710 -10.757   0.547
  674    H81  MUB 101           H81      NAM   6  16.817  -7.432   1.550
  675    H82  MUB 101           H82      NAM   6  17.245  -9.079   2.002
  676    H83  MUB 101           H83      NAM   6  15.551  -8.601   2.029
  677    H3   MUB 101           H3       NAM   6  16.851  -8.824  -2.382
  678    H9   MUB 101           H9       NAM   6  17.505 -11.866  -2.080
  679   H111  MUB 101          H111      NAM   6  18.875 -11.439   0.603
  680   H112  MUB 101          H112      NAM   6  18.602 -13.033  -0.036
  681   H113  MUB 101          H113      NAM   6  17.205 -12.041   0.190
  682    H4A  MUB 101           H4       NAM   6  17.117 -11.465  -3.985
  683    H5   MUB 101           H5       NAM   6  15.334  -9.574  -5.283
  684    H61  MUB 101           H61      NAM   6  15.023 -11.794  -5.673
  685    H62  MUB 101           H62      NAM   6  13.465 -11.284  -4.933
  686    HO6  MUB 101           HO6      NAM   6  14.660 -13.311  -4.098
  687    H1   NAG 102           H1       NAG   7  18.412  -8.373  -3.566
  688    H2   NAG 102           H2       NAG   7  18.692  -8.249  -6.661
  689    H3   NAG 102           H3       NAG   7  19.649  -6.277  -4.580
  690    H4   NAG 102           H4       NAG   7  17.439  -5.725  -6.521
  691    H5   NAG 102           H5       NAG   7  17.151  -6.253  -3.377
  692    H61  NAG 102           H61      NAG   7  15.452  -4.706  -4.497
  693    H62  NAG 102           H62      NAG   7  14.937  -6.069  -3.501
  694    H81  NAG 102           H81      NAG   7  22.594  -9.581  -3.495
  695    H82  NAG 102           H82      NAG   7  22.835  -9.169  -5.188
  696    H83  NAG 102           H83      NAG   7  21.942 -10.633  -4.782
  697    HN2  NAG 102           HN2      NAG   7  20.434  -9.251  -6.370
  698    HO3  NAG 102           HO3      NAG   7  20.742  -6.392  -6.548
  699    HO4  NAG 102           HO4      NAG   7  18.700  -4.069  -5.665
  700    HO6  NAG 102           HO6      NAG   7  15.040  -7.123  -5.779
  701    H1   MUB 101           H1       NAM   6 -11.760  10.204  -1.318
  702    H2   MUB 101           H2       NAM   6 -12.063  12.295  -0.604
  703    HN2  MUB 101           HN2      NAM   6 -11.340  12.559   1.488
  704    H81  MUB 101           H81      NAM   6 -13.478  12.488   4.458
  705    H82  MUB 101           H82      NAM   6 -12.666  13.848   3.695
  706    H83  MUB 101           H83      NAM   6 -11.758  12.367   3.979
  707    H3   MUB 101           H3       NAM   6 -14.632  11.293   0.936
  708    H9   MUB 101           H9       NAM   6 -13.306  13.234  -1.089
  709   H111  MUB 101          H111      NAM   6 -13.311  15.471   1.000
  710   H112  MUB 101          H112      NAM   6 -12.327  15.493  -0.433
  711   H113  MUB 101          H113      NAM   6 -12.076  14.174   0.656
  712    H4A  MUB 101           H4       NAM   6 -14.482  11.621  -2.153
  713    H5   MUB 101           H5       NAM   6 -15.079   8.902  -1.081
  714    H61  MUB 101           H61      NAM   6 -14.487   9.079  -3.287
  715    H62  MUB 101           H62      NAM   6 -13.098   8.171  -2.569
  716    HO6  MUB 101           HO6      NAM   6 -12.732  10.189  -4.039
  717    H1   NAG 102           H1       NAG   7 -16.459  11.805   0.509
  718    H2   NAG 102           H2       NAG   7 -18.758  10.666  -1.225
  719    H3   NAG 102           H3       NAG   7 -18.893  11.786   1.584
  720    H4   NAG 102           H4       NAG   7 -19.303   8.907   0.889
  721    H5   NAG 102           H5       NAG   7 -16.776  10.197   2.371
  722    H61  NAG 102           H61      NAG   7 -17.448   7.806   2.997
  723    H62  NAG 102           H62      NAG   7 -15.793   8.207   2.520
  724    H81  NAG 102           H81      NAG   7 -19.537  15.030  -1.252
  725    H82  NAG 102           H82      NAG   7 -17.928  15.035  -1.962
  726    H83  NAG 102           H83      NAG   7 -18.167  15.774  -0.381
  727    HN2  NAG 102           HN2      NAG   7 -18.921  12.582  -1.903
  728    HO3  NAG 102           HO3      NAG   7 -20.651  10.371  -0.141
  729    HO4  NAG 102           HO4      NAG   7 -20.226   9.956   2.736
  730    HO6  NAG 102           HO6      NAG   7 -17.061   7.629   0.317
  731    H1   MUB 101           H1       NAM   6   8.483   2.283  -6.395
  732    H2   MUB 101           H2       NAM   6  10.248   1.412  -7.456
  733    HN2  MUB 101           HN2      NAM   6  12.223   1.607  -6.429
  734    H81  MUB 101           H81      NAM   6  13.966   3.229  -5.290
  735    H82  MUB 101           H82      NAM   6  14.430   4.501  -6.411
  736    H83  MUB 101           H83      NAM   6  14.579   2.824  -6.920
  737    H3   MUB 101           H3       NAM   6  11.046   4.328  -8.305
  738    H9   MUB 101           H9       NAM   6   9.825   1.594  -9.199
  739   H111  MUB 101          H111      NAM   6  12.560   0.457  -9.918
  740   H112  MUB 101          H112      NAM   6  11.130  -0.530  -9.869
  741   H113  MUB 101          H113      NAM   6  11.556   0.287  -8.407
  742    H4A  MUB 101           H4       NAM   6   8.400   3.052  -9.258
  743    H5   MUB 101           H5       NAM   6   8.289   5.620  -7.692
  744    H61  MUB 101           H61      NAM   6   6.446   4.884  -6.684
  745    H62  MUB 101           H62      NAM   6   6.777   3.123  -6.884
  746    HO6  MUB 101           HO6      NAM   6   6.486   4.910  -9.181
  747    H1   NAG 102           H1       NAG   7  10.841   5.245 -10.084
  748    H2   NAG 102           H2       NAG   7   8.583   6.938 -11.351
  749    H3   NAG 102           H3       NAG   7  11.558   7.473 -11.463
  750    H4   NAG 102           H4       NAG   7   9.622   9.158  -9.925
  751    H5   NAG 102           H5       NAG   7  11.776   7.104  -8.742
  752    H61  NAG 102           H61      NAG   7   9.798   8.837  -7.267
  753    H62  NAG 102           H62      NAG   7  11.557   8.932  -7.323
  754    H81  NAG 102           H81      NAG   7  10.515   5.009 -14.867
  755    H82  NAG 102           H82      NAG   7  10.086   3.574 -13.946
  756    H83  NAG 102           H83      NAG   7  11.788   3.956 -14.191
  757    HN2  NAG 102           HN2      NAG   7   8.852   5.633 -12.913
  758    HO3  NAG 102           HO3      NAG   7  10.339   8.318 -13.113
  759    HO4  NAG 102           HO4      NAG   7  11.599   9.944 -10.769
  760    HO6  NAG 102           HO6      NAG   7  10.623   6.429  -6.744
  Start of MODEL   16
    1    H    ZAE   1           HN1      DPH   1   7.570 -17.287  -1.814
    2    HA   ZAE   1           HA       DPH   1   8.833 -15.228  -1.875
    3    HB2  ZAE   1           HB1      DPH   1   8.281 -15.146   0.961
    4    HB3  ZAE   1           HB2      DPH   1   8.320 -16.810   0.388
    5    HD1  ZAE   1           HD1      DPH   1  10.345 -17.803   0.830
    6    HD2  ZAE   1           HD2      DPH   1  10.296 -13.735  -0.432
    7    HE1  ZAE   1           HE1      DPH   1  12.805 -17.756   0.882
    8    HE2  ZAE   1           HE2      DPH   1  12.755 -13.687  -0.383
    9    HZ   ZAE   1           HZ       DPH   1  14.012 -15.697   0.277
   10    H11  ZAE   1          HN11      DPH   1   6.276 -16.881   0.167
   11    H12  ZAE   1          HN12      DPH   1   5.290 -17.364  -1.215
   12    H13  ZAE   1          HN13      DPH   1   5.361 -15.667  -0.733
   13    HN2  ZAE   1           HN2      DPH   1   6.753 -16.067  -2.654
   14    H    ILE   2           HN       ILE   2   6.543 -14.119  -2.800
   15    HA   ILE   2           HA       ILE   2   6.542 -11.606  -1.364
   16    HB   ILE   2           HB       ILE   2   6.687 -11.301  -3.712
   17   HG12  ILE   2          HG12      ILE   2   3.868 -10.801  -2.768
   18   HG13  ILE   2          HG11      ILE   2   5.198  -9.662  -2.891
   19   HG21  ILE   2          HG21      ILE   2   4.343 -13.177  -4.048
   20   HG22  ILE   2          HG22      ILE   2   6.028 -13.510  -4.450
   21   HG23  ILE   2          HG23      ILE   2   5.136 -12.282  -5.345
   22   HD11  ILE   2          HD11      ILE   2   3.708 -10.900  -5.179
   23   HD12  ILE   2          HD12      ILE   2   5.092  -9.817  -5.332
   24   HD13  ILE   2          HD13      ILE   2   3.593  -9.237  -4.609
   25    H    SER   3           HN       SER   3   4.922 -10.842  -0.139
   26    HA   SER   3           HA       SER   3   2.280 -12.043  -0.271
   27    HB2  SER   3           HB2      SER   3   2.468 -11.857   2.410
   28    HB3  SER   3           HB1      SER   3   2.718 -13.348   1.506
   29    HG   SER   3           HG       SER   3   5.025 -12.296   1.440
   30    H    DAR   4           HN       DAR   4   0.700 -10.861   0.990
   31    HA   DAR   4           HA       DAR   4   1.295  -7.996   0.872
   32    HB2  DAR   4           HB1      DAR   4  -0.051  -9.522   3.086
   33    HB3  DAR   4           HB2      DAR   4  -0.215  -7.779   2.894
   34    HG2  DAR   4           HG1      DAR   4   2.445  -9.150   3.110
   35    HG3  DAR   4           HG2      DAR   4   1.546  -8.562   4.514
   36    HD2  DAR   4           HD1      DAR   4   1.585  -6.326   3.674
   37    HD3  DAR   4           HD2      DAR   4   2.288  -6.860   2.149
   38    HE   DAR   4           HE       DAR   4   4.198  -7.620   3.727
   39   HH11  DAR   4          HH21      DAR   4   5.499  -4.730   5.256
   40   HH12  DAR   4          HH22      DAR   4   5.837  -6.432   4.798
   41   HH21  DAR   4          HH11      DAR   4   3.452  -3.783   4.733
   42   HH22  DAR   4          HH12      DAR   4   2.222  -4.750   3.851
   43    HA   28J   5           HA       28J   5  -2.824  -8.081  -0.495
   44    H22  28J   5           HB       28J   5  -2.388  -6.601  -2.872
   45    H23  28J   5          HG21      28J   5  -0.532  -7.903  -3.871
   46    H24  28J   5          HG22      28J   5  -0.169  -8.556  -2.273
   47    H25  28J   5          HG23      28J   5  -0.006  -6.826  -2.578
   48    H26  28J   5          HG11      28J   5  -3.874  -8.595  -2.503
   49    H27  28J   5          HG12      28J   5  -2.430  -9.603  -2.488
   50    H28  28J   5          HD11      28J   5  -3.512  -9.679  -4.627
   51    H29  28J   5          HD12      28J   5  -1.928  -8.918  -4.763
   52    H30  28J   5          HD13      28J   5  -3.389  -7.928  -4.779
   53    H    ILE   6           HN       ILE   6  -4.475  -6.609  -1.110
   54    HA   ILE   6           HA       ILE   6  -4.031  -3.880  -0.105
   55    HB   ILE   6           HB       ILE   6  -5.920  -3.253  -1.635
   56   HG12  ILE   6          HG12      ILE   6  -5.429  -5.991  -2.825
   57   HG13  ILE   6          HG11      ILE   6  -6.837  -5.523  -1.867
   58   HG21  ILE   6          HG21      ILE   6  -3.612  -2.734  -2.246
   59   HG22  ILE   6          HG22      ILE   6  -4.551  -3.158  -3.678
   60   HG23  ILE   6          HG23      ILE   6  -3.434  -4.328  -2.979
   61   HD11  ILE   6          HD11      ILE   6  -7.395  -3.829  -3.499
   62   HD12  ILE   6          HD12      ILE   6  -7.318  -5.441  -4.211
   63   HD13  ILE   6          HD13      ILE   6  -5.996  -4.306  -4.456
   64    H    SER   7           HN       SER   7  -5.405  -3.131   1.560
   65    HA   SER   7           HA       SER   7  -8.006  -4.369   1.876
   66    HB2  SER   7           HB2      SER   7  -7.629  -4.845   4.329
   67    HB3  SER   7           HB1      SER   7  -6.830  -5.949   3.214
   68    HG   SER   7           HG       SER   7  -5.447  -3.698   4.124
   69    H    DTH   8           HN       DTC   8  -8.976  -3.458   4.107
   70    HA   DTH   8           HA       DTC   8  -8.376  -0.565   4.089
   71    HB   DTH   8           HB       DTC   8  -9.349  -0.394   6.349
   72   HG21  DTH   8          HG21      DTC   8  -6.949  -0.874   6.074
   73   HG22  DTH   8          HG22      DTC   8  -7.287  -2.606   6.066
   74   HG23  DTH   8          HG23      DTC   8  -7.595  -1.652   7.517
   75    H    ALA   9           HN       ALA   9 -10.520  -2.925   3.113
   76    HA   ALA   9           HA       ALA   9 -12.770  -1.103   2.849
   77    HB1  ALA   9           HB1      ALA   9 -12.629  -3.987   1.992
   78    HB2  ALA   9           HB2      ALA   9 -12.079  -2.641   0.994
   79    HB3  ALA   9           HB3      ALA   9 -13.773  -2.754   1.463
   80    H    LEU  10           HN       LEU  10 -12.328  -4.452   4.095
   81    HA   LEU  10           HA       LEU  10 -14.735  -4.248   5.670
   82    HB2  LEU  10           HB2      LEU  10 -12.498  -6.272   5.868
   83    HB3  LEU  10           HB1      LEU  10 -14.020  -6.357   6.727
   84    HG   LEU  10           HG       LEU  10 -15.239  -6.825   4.786
   85   HD11  LEU  10          HD11      LEU  10 -14.255  -6.765   2.540
   86   HD12  LEU  10          HD12      LEU  10 -12.793  -6.059   3.226
   87   HD13  LEU  10          HD13      LEU  10 -14.319  -5.180   3.308
   88   HD21  LEU  10          HD21      LEU  10 -13.667  -8.636   5.677
   89   HD22  LEU  10          HD22      LEU  10 -12.715  -8.315   4.233
   90   HD23  LEU  10          HD23      LEU  10 -14.380  -8.871   4.081
   91    H    ILE  11           HN       ILE  11 -11.271  -4.277   6.334
   92    HA   ILE  11           HA       ILE  11 -11.928  -2.923   8.902
   93    HB   ILE  11           HB       ILE  11  -9.899  -3.978   9.914
   94   HG12  ILE  11          HG12      ILE  11 -10.013  -6.061   7.760
   95   HG13  ILE  11          HG11      ILE  11  -9.054  -4.610   7.492
   96   HG21  ILE  11          HG21      ILE  11 -12.025  -5.892   8.955
   97   HG22  ILE  11          HG22      ILE  11 -12.144  -4.836  10.363
   98   HG23  ILE  11          HG23      ILE  11 -10.959  -6.143  10.337
   99   HD11  ILE  11          HD11      ILE  11  -8.718  -6.580   9.744
  100   HD12  ILE  11          HD12      ILE  11  -7.769  -5.110   9.521
  101   HD13  ILE  11          HD13      ILE  11  -7.676  -6.409   8.332
  102    H    ZAE   1           HN1      DPH   1  -8.354   5.505   3.770
  103    HA   ZAE   1           HA       DPH   1  -9.556   3.508   3.276
  104    HB2  ZAE   1           HB1      DPH   1  -8.305   2.306   5.502
  105    HB3  ZAE   1           HB2      DPH   1  -8.102   4.040   5.702
  106    HD1  ZAE   1           HD1      DPH   1  -9.918   5.457   6.167
  107    HD2  ZAE   1           HD2      DPH   1 -10.565   1.317   5.452
  108    HE1  ZAE   1           HE1      DPH   1 -12.172   5.659   7.136
  109    HE2  ZAE   1           HE2      DPH   1 -12.836   1.500   6.408
  110    HZ   ZAE   1           HZ       DPH   1 -13.639   3.677   7.263
  111    H11  ZAE   1          HN11      DPH   1  -6.688   5.011   5.178
  112    H12  ZAE   1          HN12      DPH   1  -5.816   5.299   3.673
  113    H13  ZAE   1          HN13      DPH   1  -6.128   3.648   4.207
  114    HN2  ZAE   1           HN2      DPH   1  -7.663   4.780   2.399
  115    H    ILE   2           HN       ILE   2  -7.588   3.081   1.354
  116    HA   ILE   2           HA       ILE   2  -7.098   0.236   1.826
  117    HB   ILE   2           HB       ILE   2  -8.159   0.801  -0.314
  118   HG12  ILE   2          HG12      ILE   2  -5.298  -0.120  -0.678
  119   HG13  ILE   2          HG11      ILE   2  -6.634  -1.147  -0.164
  120   HG21  ILE   2          HG21      ILE   2  -7.040   2.116  -1.999
  121   HG22  ILE   2          HG22      ILE   2  -5.601   2.252  -0.994
  122   HG23  ILE   2          HG23      ILE   2  -7.086   3.061  -0.511
  123   HD11  ILE   2          HD11      ILE   2  -6.056  -1.342  -2.572
  124   HD12  ILE   2          HD12      ILE   2  -6.577   0.331  -2.788
  125   HD13  ILE   2          HD13      ILE   2  -7.730  -0.894  -2.260
  126    H    SER   3           HN       SER   3  -5.293  -0.514   2.404
  127    HA   SER   3           HA       SER   3  -2.807   0.702   1.542
  128    HB2  SER   3           HB2      SER   3  -1.902   0.380   3.893
  129    HB3  SER   3           HB1      SER   3  -2.914   1.794   3.606
  130    HG   SER   3           HG       SER   3  -4.055  -0.603   4.523
  131    H    DAR   4           HN       DAR   4  -1.054  -0.590   1.803
  132    HA   DAR   4           HA       DAR   4  -1.693  -3.401   1.571
  133    HB2  DAR   4           HB1      DAR   4  -0.053  -2.232   3.778
  134    HB3  DAR   4           HB2      DAR   4   0.434  -3.774   3.095
  135    HG2  DAR   4           HG1      DAR   4  -2.314  -3.250   4.225
  136    HG3  DAR   4           HG2      DAR   4  -0.972  -3.916   5.157
  137    HD2  DAR   4           HD1      DAR   4  -1.047  -5.929   4.117
  138    HD3  DAR   4           HD2      DAR   4  -1.608  -5.250   2.593
  139    HE   DAR   4           HE       DAR   4  -3.800  -4.955   3.980
  140   HH11  DAR   4          HH21      DAR   4  -4.956  -8.195   4.764
  141   HH12  DAR   4          HH22      DAR   4  -5.424  -6.469   4.565
  142   HH21  DAR   4          HH11      DAR   4  -2.758  -8.831   4.459
  143   HH22  DAR   4          HH12      DAR   4  -1.523  -7.604   4.008
  144    HA   28J   5           HA       28J   5   2.114  -2.950  -0.572
  145    H22  28J   5           HB       28J   5   1.678  -3.152  -2.989
  146    H23  28J   5          HG21      28J   5  -1.027  -4.071  -2.081
  147    H24  28J   5          HG22      28J   5   0.113  -4.928  -3.112
  148    H25  28J   5          HG23      28J   5  -0.706  -3.483  -3.709
  149    H26  28J   5          HG11      28J   5  -0.052  -1.464  -1.226
  150    H27  28J   5          HG12      28J   5  -0.348  -1.432  -2.960
  151    H28  28J   5          HD11      28J   5   1.917  -0.698  -3.370
  152    H29  28J   5          HD12      28J   5   2.291  -0.819  -1.651
  153    H30  28J   5          HD13      28J   5   1.128   0.379  -2.218
  154    H    ILE   6           HN       ILE   6   3.653  -4.142  -1.655
  155    HA   ILE   6           HA       ILE   6   3.180  -7.045  -1.520
  156    HB   ILE   6           HB       ILE   6   3.581  -7.501  -3.674
  157   HG12  ILE   6          HG12      ILE   6   5.305  -5.112  -4.246
  158   HG13  ILE   6          HG11      ILE   6   5.953  -6.547  -3.467
  159   HG21  ILE   6          HG21      ILE   6   2.865  -4.601  -4.088
  160   HG22  ILE   6          HG22      ILE   6   1.735  -5.943  -3.918
  161   HG23  ILE   6          HG23      ILE   6   2.792  -5.852  -5.329
  162   HD11  ILE   6          HD11      ILE   6   5.104  -7.845  -5.458
  163   HD12  ILE   6          HD12      ILE   6   6.438  -6.730  -5.754
  164   HD13  ILE   6          HD13      ILE   6   4.799  -6.286  -6.212
  165    H    SER   7           HN       SER   7   4.857  -8.277  -0.755
  166    HA   SER   7           HA       SER   7   7.505  -7.142  -0.696
  167    HB2  SER   7           HB2      SER   7   7.710  -7.371   1.795
  168    HB3  SER   7           HB1      SER   7   6.730  -6.023   1.231
  169    HG   SER   7           HG       SER   7   5.180  -8.164   1.545
  170    H    DTH   8           HN       DTC   8   9.102  -8.614  -0.456
  171    HA   DTH   8           HA       DTC   8   8.242 -11.377  -0.671
  172    HB   DTH   8           HB       DTC   8   9.826 -12.224   1.060
  173   HG21  DTH   8          HG21      DTC   8   7.454 -11.824   1.624
  174   HG22  DTH   8          HG22      DTC   8   7.821 -10.149   2.040
  175   HG23  DTH   8          HG23      DTC   8   8.494 -11.466   3.000
  176    H    ALA   9           HN       ALA   9  10.791  -8.964  -0.941
  177    HA   ALA   9           HA       ALA   9  12.456 -10.727  -2.602
  178    HB1  ALA   9           HB1      ALA   9  11.927  -8.524  -3.612
  179    HB2  ALA   9           HB2      ALA   9  13.650  -8.690  -3.286
  180    HB3  ALA   9           HB3      ALA   9  12.641  -7.728  -2.208
  181    H    LEU  10           HN       LEU  10  12.992  -7.992  -0.478
  182    HA   LEU  10           HA       LEU  10  15.416  -9.271   0.536
  183    HB2  LEU  10           HB2      LEU  10  15.548  -7.148   1.966
  184    HB3  LEU  10           HB1      LEU  10  15.783  -7.000   0.238
  185    HG   LEU  10           HG       LEU  10  14.369  -5.216   1.371
  186   HD11  LEU  10          HD11      LEU  10  14.441  -5.273  -0.955
  187   HD12  LEU  10          HD12      LEU  10  12.729  -5.222  -0.541
  188   HD13  LEU  10          HD13      LEU  10  13.470  -6.742  -1.043
  189   HD21  LEU  10          HD21      LEU  10  12.851  -6.237   2.759
  190   HD22  LEU  10          HD22      LEU  10  12.562  -7.568   1.641
  191   HD23  LEU  10          HD23      LEU  10  11.861  -5.981   1.321
  192    H    ILE  11           HN       ILE  11  12.125  -8.960   1.319
  193    HA   ILE  11           HA       ILE  11  12.763 -10.269   3.897
  194    HB   ILE  11           HB       ILE  11  10.973  -9.047   5.086
  195   HG12  ILE  11          HG12      ILE  11  10.969  -6.997   2.887
  196   HG13  ILE  11          HG11      ILE  11   9.868  -8.367   2.796
  197   HG21  ILE  11          HG21      ILE  11  13.389  -7.736   3.993
  198   HG22  ILE  11          HG22      ILE  11  12.952  -8.093   5.664
  199   HG23  ILE  11          HG23      ILE  11  12.235  -6.706   4.840
  200   HD11  ILE  11          HD11      ILE  11   9.999  -6.329   5.011
  201   HD12  ILE  11          HD12      ILE  11   8.905  -7.710   4.955
  202   HD13  ILE  11          HD13      ILE  11   8.771  -6.429   3.750
  203    H    ZAE   1           HN1      DPH   1   8.449  -5.172   1.738
  204    HA   ZAE   1           HA       DPH   1   9.391  -3.424   0.314
  205    HB2  ZAE   1           HB1      DPH   1   9.078  -1.795   2.642
  206    HB3  ZAE   1           HB2      DPH   1   9.085  -3.475   3.164
  207    HD1  ZAE   1           HD1      DPH   1  11.124  -3.594   4.210
  208    HD2  ZAE   1           HD2      DPH   1  10.950  -2.034   0.299
  209    HE1  ZAE   1           HE1      DPH   1  13.585  -3.710   4.096
  210    HE2  ZAE   1           HE2      DPH   1  13.411  -2.123   0.144
  211    HZ   ZAE   1           HZ       DPH   1  14.740  -2.972   2.042
  212    H11  ZAE   1          HN11      DPH   1   6.937  -3.117   2.684
  213    H12  ZAE   1          HN12      DPH   1   6.830  -4.820   3.125
  214    H13  ZAE   1          HN13      DPH   1   5.813  -4.180   1.838
  215    HN2  ZAE   1           HN2      DPH   1   7.448  -4.776   0.423
  216    H    ILE   2           HN       ILE   2   6.880  -3.203  -0.791
  217    HA   ILE   2           HA       ILE   2   6.539  -0.306  -0.662
  218    HB   ILE   2           HB       ILE   2   6.867  -1.228  -2.885
  219   HG12  ILE   2          HG12      ILE   2   4.126  -0.136  -2.274
  220   HG13  ILE   2          HG11      ILE   2   5.545   0.746  -2.823
  221   HG21  ILE   2          HG21      ILE   2   5.385  -2.826  -3.883
  222   HG22  ILE   2          HG22      ILE   2   4.280  -2.734  -2.510
  223   HG23  ILE   2          HG23      ILE   2   5.870  -3.461  -2.312
  224   HD11  ILE   2          HD11      ILE   2   3.818   0.447  -4.545
  225   HD12  ILE   2          HD12      ILE   2   4.087  -1.295  -4.467
  226   HD13  ILE   2          HD13      ILE   2   5.388  -0.223  -4.986
  227    H    SER   3           HN       SER   3   5.063   0.559   0.442
  228    HA   SER   3           HA       SER   3   2.428  -0.651   0.605
  229    HB2  SER   3           HB2      SER   3   2.419   0.238   3.061
  230    HB3  SER   3           HB1      SER   3   3.045  -1.367   2.700
  231    HG   SER   3           HG       SER   3   5.085   0.287   2.459
  232    H    DAR   4           HN       DAR   4   0.844   0.720   1.281
  233    HA   DAR   4           HA       DAR   4   1.257   3.456   0.421
  234    HB2  DAR   4           HB1      DAR   4   0.397   2.619   3.174
  235    HB3  DAR   4           HB2      DAR   4  -0.268   4.082   2.469
  236    HG2  DAR   4           HG1      DAR   4   2.678   3.571   2.883
  237    HG3  DAR   4           HG2      DAR   4   1.641   4.492   3.971
  238    HD2  DAR   4           HD1      DAR   4   1.502   6.276   2.582
  239    HD3  DAR   4           HD2      DAR   4   1.646   5.299   1.125
  240    HE   DAR   4           HE       DAR   4   4.099   5.076   1.986
  241   HH11  DAR   4          HH21      DAR   4   5.544   8.294   1.867
  242   HH12  DAR   4          HH22      DAR   4   5.873   6.524   1.838
  243   HH21  DAR   4          HH11      DAR   4   3.385   9.068   1.969
  244   HH22  DAR   4          HH12      DAR   4   2.014   7.903   2.024
  245    HA   28J   5           HA       28J   5  -3.004   2.701  -0.235
  246    H22  28J   5           HB       28J   5  -3.176   2.813  -2.897
  247    H23  28J   5          HG21      28J   5  -1.065   2.089  -3.903
  248    H24  28J   5          HG22      28J   5  -0.248   2.344  -2.364
  249    H25  28J   5          HG23      28J   5  -0.948   3.712  -3.230
  250    H26  28J   5          HG11      28J   5  -3.445   0.849  -1.310
  251    H27  28J   5          HG12      28J   5  -1.723   0.548  -1.510
  252    H28  28J   5          HD11      28J   5  -2.932  -0.914  -2.955
  253    H29  28J   5          HD12      28J   5  -2.110   0.291  -3.945
  254    H30  28J   5          HD13      28J   5  -3.842   0.433  -3.640
  255    H    ILE   6           HN       ILE   6  -4.853   3.733  -0.731
  256    HA   ILE   6           HA       ILE   6  -4.533   6.565  -1.383
  257    HB   ILE   6           HB       ILE   6  -5.135   6.439  -3.486
  258   HG12  ILE   6          HG12      ILE   6  -7.660   4.954  -3.178
  259   HG13  ILE   6          HG11      ILE   6  -7.503   6.450  -2.265
  260   HG21  ILE   6          HG21      ILE   6  -5.605   3.492  -3.127
  261   HG22  ILE   6          HG22      ILE   6  -4.207   4.277  -3.858
  262   HG23  ILE   6          HG23      ILE   6  -5.768   4.305  -4.682
  263   HD11  ILE   6          HD11      ILE   6  -7.021   6.241  -5.216
  264   HD12  ILE   6          HD12      ILE   6  -7.195   7.703  -4.245
  265   HD13  ILE   6          HD13      ILE   6  -8.574   6.641  -4.497
  266    H    SER   7           HN       SER   7  -6.026   7.942  -0.506
  267    HA   SER   7           HA       SER   7  -8.517   6.898   0.501
  268    HB2  SER   7           HB2      SER   7  -7.946   7.852   2.834
  269    HB3  SER   7           HB1      SER   7  -7.434   6.222   2.402
  270    HG   SER   7           HG       SER   7  -5.921   8.538   2.734
  271    H    DTH   8           HN       DTC   8  -9.553   8.551   1.986
  272    HA   DTH   8           HA       DTC   8  -9.121  11.259   0.912
  273    HB   DTH   8           HB       DTC   8 -10.196  12.163   2.980
  274   HG21  DTH   8          HG21      DTC   8  -7.735  11.818   2.958
  275   HG22  DTH   8          HG22      DTC   8  -7.958  10.179   3.574
  276   HG23  DTH   8          HG23      DTC   8  -8.415  11.564   4.564
  277    H    ALA   9           HN       ALA   9 -11.183   8.613   0.780
  278    HA   ALA   9           HA       ALA   9 -13.527  10.065  -0.107
  279    HB1  ALA   9           HB1      ALA   9 -13.066   7.918  -1.207
  280    HB2  ALA   9           HB2      ALA   9 -14.593   7.841  -0.332
  281    HB3  ALA   9           HB3      ALA   9 -13.153   7.095   0.351
  282    H    LEU  10           HN       LEU  10 -12.840   7.589   2.247
  283    HA   LEU  10           HA       LEU  10 -15.261   8.130   3.724
  284    HB2  LEU  10           HB2      LEU  10 -12.920   6.322   4.347
  285    HB3  LEU  10           HB1      LEU  10 -14.369   6.442   5.324
  286    HG   LEU  10           HG       LEU  10 -15.729   5.546   3.536
  287   HD11  LEU  10          HD11      LEU  10 -14.864   4.916   1.417
  288   HD12  LEU  10          HD12      LEU  10 -13.220   5.322   1.907
  289   HD13  LEU  10          HD13      LEU  10 -14.422   6.598   1.712
  290   HD21  LEU  10          HD21      LEU  10 -14.717   3.295   3.261
  291   HD22  LEU  10          HD22      LEU  10 -14.741   3.862   4.930
  292   HD23  LEU  10          HD23      LEU  10 -13.240   3.906   4.006
  293    H    ILE  11           HN       ILE  11 -11.786   8.371   4.349
  294    HA   ILE  11           HA       ILE  11 -12.526  10.461   6.335
  295    HB   ILE  11           HB       ILE  11 -10.301   9.872   7.496
  296   HG12  ILE  11          HG12      ILE  11 -10.346   7.100   7.043
  297   HG13  ILE  11          HG11      ILE  11 -10.397   7.816   5.437
  298   HG21  ILE  11          HG21      ILE  11 -12.608   7.933   7.591
  299   HG22  ILE  11          HG22      ILE  11 -12.502   9.463   8.464
  300   HG23  ILE  11          HG23      ILE  11 -11.395   8.146   8.852
  301   HD11  ILE  11          HD11      ILE  11  -8.354   9.021   5.869
  302   HD12  ILE  11          HD12      ILE  11  -8.114   7.309   6.221
  303   HD13  ILE  11          HD13      ILE  11  -8.338   8.459   7.541
  304    H    ZAE   1           HN1      DPH   1  -8.776  16.542  -2.530
  305    HA   ZAE   1           HA       DPH   1  -9.982  14.492  -2.093
  306    HB2  ZAE   1           HB1      DPH   1  -8.917  14.796   0.577
  307    HB3  ZAE   1           HB2      DPH   1  -9.082  16.364  -0.199
  308    HD1  ZAE   1           HD1      DPH   1 -10.848  17.203   1.167
  309    HD2  ZAE   1           HD2      DPH   1 -11.293  13.484  -0.881
  310    HE1  ZAE   1           HE1      DPH   1 -13.256  17.191   1.706
  311    HE2  ZAE   1           HE2      DPH   1 -13.698  13.473  -0.341
  312    HZ   ZAE   1           HZ       DPH   1 -14.681  15.325   0.953
  313    H11  ZAE   1          HN11      DPH   1  -6.442  16.710  -2.373
  314    H12  ZAE   1          HN12      DPH   1  -6.359  15.075  -1.715
  315    H13  ZAE   1          HN13      DPH   1  -7.124  16.361  -0.782
  316    HN2  ZAE   1           HN2      DPH   1  -8.105  15.223  -3.350
  317    H    ILE   2           HN       ILE   2  -7.733  13.349  -3.239
  318    HA   ILE   2           HA       ILE   2  -7.513  10.969  -1.602
  319    HB   ILE   2           HB       ILE   2  -7.070   9.821  -3.516
  320   HG12  ILE   2          HG12      ILE   2  -5.649  12.135  -4.831
  321   HG13  ILE   2          HG11      ILE   2  -4.832  11.035  -3.727
  322   HG21  ILE   2          HG21      ILE   2  -9.082  11.074  -4.062
  323   HG22  ILE   2          HG22      ILE   2  -8.110  10.805  -5.510
  324   HG23  ILE   2          HG23      ILE   2  -8.104  12.382  -4.726
  325   HD11  ILE   2          HD11      ILE   2  -6.054  10.408  -6.386
  326   HD12  ILE   2          HD12      ILE   2  -5.548   9.165  -5.240
  327   HD13  ILE   2          HD13      ILE   2  -4.364  10.295  -5.898
  328    H    SER   3           HN       SER   3  -5.651  10.163  -0.716
  329    HA   SER   3           HA       SER   3  -3.129  11.492  -1.231
  330    HB2  SER   3           HB2      SER   3  -3.014  11.301   1.527
  331    HB3  SER   3           HB1      SER   3  -3.161  12.782   0.590
  332    HG   SER   3           HG       SER   3  -5.598  11.888   0.798
  333    H    DAR   4           HN       DAR   4  -1.323  10.454  -0.252
  334    HA   DAR   4           HA       DAR   4  -1.698   7.548  -0.110
  335    HB2  DAR   4           HB1      DAR   4   0.282   9.122   1.529
  336    HB3  DAR   4           HB2      DAR   4  -0.050   7.395   1.624
  337    HG2  DAR   4           HG1      DAR   4  -2.396   9.056   2.002
  338    HG3  DAR   4           HG2      DAR   4  -1.136   9.301   3.219
  339    HD2  DAR   4           HD1      DAR   4  -2.255   7.535   4.136
  340    HD3  DAR   4           HD2      DAR   4  -1.057   6.680   3.161
  341    HE   DAR   4           HE       DAR   4  -3.481   7.229   1.759
  342   HH11  DAR   4          HH21      DAR   4  -4.532   3.906   1.971
  343   HH12  DAR   4          HH22      DAR   4  -4.760   5.474   1.133
  344   HH21  DAR   4          HH11      DAR   4  -2.796   3.640   3.486
  345   HH22  DAR   4          HH12      DAR   4  -1.761   5.047   3.893
  346    HA   28J   5           HA       28J   5   2.040   7.805  -2.241
  347    H22  28J   5           HB       28J   5   1.587   6.821  -4.657
  348    H23  28J   5          HG21      28J   5  -1.192   7.430  -3.654
  349    H24  28J   5          HG22      28J   5  -0.581   5.837  -4.099
  350    H25  28J   5          HG23      28J   5  -0.753   7.090  -5.328
  351    H26  28J   5          HG11      28J   5   0.728   9.438  -3.462
  352    H27  28J   5          HG12      28J   5   0.349   9.103  -5.148
  353    H28  28J   5          HD11      28J   5   2.722   8.763  -5.618
  354    H29  28J   5          HD12      28J   5   3.102   9.121  -3.934
  355    H30  28J   5          HD13      28J   5   2.403  10.370  -4.964
  356    H    ILE   6           HN       ILE   6   3.634   6.442  -3.004
  357    HA   ILE   6           HA       ILE   6   3.393   3.672  -2.099
  358    HB   ILE   6           HB       ILE   6   2.966   3.209  -4.247
  359   HG12  ILE   6          HG12      ILE   6   5.956   3.466  -4.134
  360   HG13  ILE   6          HG11      ILE   6   4.956   2.021  -3.967
  361   HG21  ILE   6          HG21      ILE   6   3.615   4.535  -6.208
  362   HG22  ILE   6          HG22      ILE   6   4.537   5.627  -5.176
  363   HG23  ILE   6          HG23      ILE   6   2.786   5.518  -5.005
  364   HD11  ILE   6          HD11      ILE   6   6.097   2.041  -6.061
  365   HD12  ILE   6          HD12      ILE   6   5.374   3.601  -6.458
  366   HD13  ILE   6          HD13      ILE   6   4.353   2.174  -6.284
  367    H    SER   7           HN       SER   7   5.052   3.254  -0.674
  368    HA   SER   7           HA       SER   7   7.805   3.954  -1.416
  369    HB2  SER   7           HB2      SER   7   8.267   4.922   0.823
  370    HB3  SER   7           HB1      SER   7   7.166   5.915  -0.137
  371    HG   SER   7           HG       SER   7   5.973   3.996   1.470
  372    H    DTH   8           HN       DTC   8   9.393   2.861  -0.361
  373    HA   DTH   8           HA       DTC   8   8.944   0.393   0.930
  374    HB   DTH   8           HB       DTC   8  10.026   0.709   3.112
  375   HG21  DTH   8          HG21      DTC   8   7.594   1.125   3.071
  376   HG22  DTH   8          HG22      DTC   8   7.885   2.838   2.762
  377   HG23  DTH   8          HG23      DTC   8   8.410   2.111   4.281
  378    H    ALA   9           HN       ALA   9  10.717   2.311  -0.976
  379    HA   ALA   9           HA       ALA   9  13.076   0.932  -1.024
  380    HB1  ALA   9           HB1      ALA   9  13.633   3.453  -2.035
  381    HB2  ALA   9           HB2      ALA   9  11.907   3.219  -2.308
  382    HB3  ALA   9           HB3      ALA   9  13.065   2.049  -2.937
  383    H    LEU  10           HN       LEU  10  12.790   4.255  -0.272
  384    HA   LEU  10           HA       LEU  10  15.224   4.442   1.177
  385    HB2  LEU  10           HB2      LEU  10  12.891   6.367   1.079
  386    HB3  LEU  10           HB1      LEU  10  14.414   6.707   1.873
  387    HG   LEU  10           HG       LEU  10  15.601   6.801  -0.168
  388   HD11  LEU  10          HD11      LEU  10  14.807   4.879  -1.267
  389   HD12  LEU  10          HD12      LEU  10  14.434   6.244  -2.321
  390   HD13  LEU  10          HD13      LEU  10  13.164   5.511  -1.342
  391   HD21  LEU  10          HD21      LEU  10  14.372   8.446  -1.512
  392   HD22  LEU  10          HD22      LEU  10  14.242   8.795   0.213
  393   HD23  LEU  10          HD23      LEU  10  12.894   8.044  -0.641
  394    H    ILE  11           HN       ILE  11  11.855   4.263   2.171
  395    HA   ILE  11           HA       ILE  11  12.734   3.726   4.941
  396    HB   ILE  11           HB       ILE  11  10.613   5.040   5.700
  397   HG12  ILE  11          HG12      ILE  11  10.777   7.203   3.935
  398   HG13  ILE  11          HG11      ILE  11  10.712   5.802   2.874
  399   HG21  ILE  11          HG21      ILE  11  13.024   6.559   4.730
  400   HG22  ILE  11          HG22      ILE  11  12.908   5.668   6.248
  401   HG23  ILE  11          HG23      ILE  11  11.895   7.087   5.976
  402   HD11  ILE  11          HD11      ILE  11   8.712   6.358   5.060
  403   HD12  ILE  11          HD12      ILE  11   8.611   5.119   3.809
  404   HD13  ILE  11          HD13      ILE  11   8.501   6.824   3.373
  405    H1   ALA   1           HN       ALA   1 -15.120 -11.730  -1.016
  406    HA   ALA   1           HA       ALA   1 -17.032 -13.585  -1.797
  407    HB1  ALA   1           HB1      ALA   1 -18.631 -12.222  -0.568
  408    HB2  ALA   1           HB2      ALA   1 -18.980 -12.177  -2.299
  409    HB3  ALA   1           HB3      ALA   1 -18.176 -10.813  -1.519
  410    H    DGL   2           HN       DGL   2 -14.485 -12.140  -2.625
  411    HA   DGL   2           HA       DGL   2 -15.607 -11.416  -5.181
  412    HB2  DGL   2           HB1      DGL   2 -14.014 -13.061  -6.226
  413    HB3  DGL   2           HB2      DGL   2 -14.226 -13.828  -4.656
  414    HG2  DGL   2           HG1      DGL   2 -11.914 -13.914  -4.675
  415    HG3  DGL   2           HG2      DGL   2 -11.981 -12.257  -4.133
  416    H    LYS   3           HN       LYS   3 -11.289 -10.671  -5.488
  417    HA   LYS   3           HA       LYS   3 -10.259  -9.604  -7.071
  418    HB2  LYS   3           HB2      LYS   3  -8.854 -12.085  -6.745
  419    HB3  LYS   3           HB1      LYS   3  -8.531 -11.370  -8.334
  420    HG2  LYS   3           HG2      LYS   3  -8.190 -10.141  -5.603
  421    HG3  LYS   3           HG1      LYS   3  -6.960 -10.430  -6.810
  422    HD2  LYS   3           HD2      LYS   3  -7.085  -8.283  -7.524
  423    HD3  LYS   3           HD1      LYS   3  -8.667  -8.706  -8.077
  424    HE2  LYS   3           HE2      LYS   3  -9.552  -8.089  -5.729
  425    HE3  LYS   3           HE1      LYS   3  -7.868  -7.154  -5.763
  426    HZ1  LYS   3           HZ1      LYS   3  -9.569  -5.507  -5.851
  427    HZ2  LYS   3           HZ2      LYS   3 -10.341  -6.431  -7.005
  428    HZ3  LYS   3           HZ3      LYS   3  -8.885  -5.687  -7.376
  429    H    DAL   4           HN       DAL   4 -12.690 -10.187  -7.499
  430    HA   DAL   4           HA       DAL   4 -14.592 -10.490  -9.323
  431    HB1  DAL   4           HB1      DAL   4 -13.410 -11.818 -10.851
  432    HB2  DAL   4           HB2      DAL   4 -12.756 -10.375 -11.597
  433    HB3  DAL   4           HB3      DAL   4 -14.489 -10.636 -11.594
  434    H    DAL   5           HN       DAL   5 -13.862  -8.706  -7.239
  435    HA   DAL   5           HA       DAL   5 -14.419  -6.258  -6.162
  436    HB1  DAL   5           HB1      DAL   5 -16.419  -6.739  -7.727
  437    HB2  DAL   5           HB2      DAL   5 -15.287  -6.719  -9.064
  438    HB3  DAL   5           HB3      DAL   5 -15.699  -5.223  -8.266
  439    H1   ALA   1           HN       ALA   1  15.037  -2.291  -4.111
  440    HA   ALA   1           HA       ALA   1  16.763  -0.306  -3.228
  441    HB1  ALA   1           HB1      ALA   1  15.890  -0.903  -0.991
  442    HB2  ALA   1           HB2      ALA   1  17.607  -1.172  -1.156
  443    HB3  ALA   1           HB3      ALA   1  16.517  -2.533  -1.211
  444    H    DGL   2           HN       DGL   2  18.514  -2.646  -1.829
  445    HA   DGL   2           HA       DGL   2  19.438  -4.517  -2.542
  446    HB2  DGL   2           HB1      DGL   2  20.829  -3.990  -4.881
  447    HB3  DGL   2           HB2      DGL   2  21.260  -3.017  -3.478
  448    HG2  DGL   2           HG1      DGL   2  20.791  -1.113  -4.637
  449    HG3  DGL   2           HG2      DGL   2  19.145  -1.609  -4.943
  450    H    LYS   3           HN       LYS   3  18.751  -2.837  -6.849
  451    HA   LYS   3           HA       LYS   3  18.697  -3.040  -9.014
  452    HB2  LYS   3           HB2      LYS   3  19.638  -0.588  -8.637
  453    HB3  LYS   3           HB1      LYS   3  20.916  -1.226  -9.687
  454    HG2  LYS   3           HG2      LYS   3  17.942  -1.418 -10.214
  455    HG3  LYS   3           HG1      LYS   3  18.993  -0.207 -10.910
  456    HD2  LYS   3           HD2      LYS   3  19.196  -1.537 -12.747
  457    HD3  LYS   3           HD1      LYS   3  20.269  -2.411 -11.710
  458    HE2  LYS   3           HE1      LYS   3  17.505  -3.315 -11.403
  459    HE3  LYS   3           HE2      LYS   3  18.423  -3.573 -13.078
  460    HZ1  LYS   3           HZ1      LYS   3  18.968  -5.586 -12.458
  461    HZ2  LYS   3           HZ2      LYS   3  18.085  -5.367 -11.004
  462    HZ3  LYS   3           HZ3      LYS   3  19.723  -4.965 -11.090
  463    H    DAL   4           HN       DAL   4  20.178  -4.623  -7.305
  464    HA   DAL   4           HA       DAL   4  21.453  -6.825  -7.171
  465    HB1  DAL   4           HB1      DAL   4  23.307  -6.064  -9.222
  466    HB2  DAL   4           HB2      DAL   4  23.386  -7.380  -8.068
  467    HB3  DAL   4           HB3      DAL   4  23.542  -5.727  -7.507
  468    H    DAL   5           HN       DAL   5  18.970  -7.153  -7.418
  469    HA   DAL   5           HA       DAL   5  16.883  -8.566  -8.254
  470    HB1  DAL   5           HB1      DAL   5  18.777 -10.220  -8.406
  471    HB2  DAL   5           HB2      DAL   5  19.547  -9.208  -9.612
  472    HB3  DAL   5           HB3      DAL   5  18.126 -10.141 -10.036
  473    H1   ALA   1           HN       ALA   1 -16.284  -0.642  -2.301
  474    HA   ALA   1           HA       ALA   1 -17.433  -3.157  -2.064
  475    HB1  ALA   1           HB1      ALA   1 -16.324  -3.145   0.162
  476    HB2  ALA   1           HB2      ALA   1 -18.079  -3.319   0.249
  477    HB3  ALA   1           HB3      ALA   1 -17.322  -1.763   0.602
  478    H    DGL   2           HN       DGL   2 -19.429  -2.149   0.163
  479    HA   DGL   2           HA       DGL   2 -20.909  -0.526   0.418
  480    HB2  DGL   2           HB1      DGL   2 -22.148  -0.174  -2.129
  481    HB3  DGL   2           HB2      DGL   2 -22.551  -1.593  -1.169
  482    HG2  DGL   2           HG1      DGL   2 -21.678  -2.990  -2.760
  483    HG3  DGL   2           HG2      DGL   2 -20.169  -2.121  -2.869
  484    H    LYS   3           HN       LYS   3 -21.109   0.326  -3.798
  485    HA   LYS   3           HA       LYS   3 -21.502   1.467  -5.601
  486    HB2  LYS   3           HB2      LYS   3 -19.882  -0.242  -6.454
  487    HB3  LYS   3           HB1      LYS   3 -21.246  -0.991  -7.305
  488    HG2  LYS   3           HG2      LYS   3 -21.464   1.803  -7.717
  489    HG3  LYS   3           HG1      LYS   3 -19.771   1.417  -7.917
  490    HD2  LYS   3           HD2      LYS   3 -20.549   1.283 -10.153
  491    HD3  LYS   3           HD1      LYS   3 -20.417  -0.333  -9.553
  492    HE2  LYS   3           HE1      LYS   3 -22.487   0.297 -11.006
  493    HE3  LYS   3           HE2      LYS   3 -22.604  -0.752  -9.393
  494    HZ1  LYS   3           HZ1      LYS   3 -24.592   0.870 -10.166
  495    HZ2  LYS   3           HZ2      LYS   3 -23.561   1.860  -9.311
  496    HZ3  LYS   3           HZ3      LYS   3 -24.179   0.481  -8.583
  497    H    DAL   4           HN       DAL   4 -23.345   1.610  -4.334
  498    HA   DAL   4           HA       DAL   4 -25.696   2.543  -4.171
  499    HB1  DAL   4           HB1      DAL   4 -26.707  -0.074  -4.775
  500    HB2  DAL   4           HB2      DAL   4 -27.500   1.283  -3.999
  501    HB3  DAL   4           HB3      DAL   4 -26.209   0.442  -3.165
  502    H    DAL   5           HN       DAL   5 -24.594   4.154  -5.708
  503    HA   DAL   5           HA       DAL   5 -24.629   5.860  -7.733
  504    HB1  DAL   5           HB1      DAL   5 -27.072   5.585  -7.220
  505    HB2  DAL   5           HB2      DAL   5 -26.963   3.883  -7.624
  506    HB3  DAL   5           HB3      DAL   5 -26.931   5.086  -8.897
  507    H1   ALA   1           HN       ALA   1  15.821   9.876  -3.449
  508    HA   ALA   1           HA       ALA   1  18.279  11.102  -3.060
  509    HB1  ALA   1           HB1      ALA   1  17.756  10.734  -0.653
  510    HB2  ALA   1           HB2      ALA   1  19.246   9.948  -1.185
  511    HB3  ALA   1           HB3      ALA   1  17.772   9.001  -0.966
  512    H    DGL   2           HN       DGL   2  19.547   8.422  -2.033
  513    HA   DGL   2           HA       DGL   2  19.710   6.314  -2.733
  514    HB2  DGL   2           HB1      DGL   2  20.294   6.487  -5.500
  515    HB3  DGL   2           HB2      DGL   2  21.510   6.969  -4.324
  516    HG2  DGL   2           HG1      DGL   2  21.591   9.030  -5.307
  517    HG3  DGL   2           HG2      DGL   2  19.939   9.353  -4.848
  518    H    LYS   3           HN       LYS   3  18.320   8.265  -6.398
  519    HA   LYS   3           HA       LYS   3  17.298   8.301  -8.315
  520    HB2  LYS   3           HB2      LYS   3  18.754  10.525  -8.326
  521    HB3  LYS   3           HB1      LYS   3  19.273   9.824  -9.869
  522    HG2  LYS   3           HG2      LYS   3  16.378   9.648  -9.243
  523    HG3  LYS   3           HG1      LYS   3  16.996  11.263  -9.500
  524    HD2  LYS   3           HD2      LYS   3  16.207  10.740 -11.666
  525    HD3  LYS   3           HD1      LYS   3  17.918  10.488 -11.680
  526    HE2  LYS   3           HE1      LYS   3  17.183   8.691 -12.950
  527    HE3  LYS   3           HE2      LYS   3  17.382   8.057 -11.141
  528    HZ1  LYS   3           HZ1      LYS   3  14.669   8.287 -12.187
  529    HZ2  LYS   3           HZ2      LYS   3  15.423   7.274 -11.027
  530    HZ3  LYS   3           HZ3      LYS   3  15.619   6.991 -12.681
  531    H    DAL   4           HN       DAL   4  18.523   6.202  -7.607
  532    HA   DAL   4           HA       DAL   4  18.810   3.768  -8.129
  533    HB1  DAL   4           HB1      DAL   4  21.025   4.141  -8.390
  534    HB2  DAL   4           HB2      DAL   4  20.820   4.253 -10.127
  535    HB3  DAL   4           HB3      DAL   4  20.398   2.767  -9.298
  536    H    DAL   5           HN       DAL   5  16.419   3.945  -8.277
  537    HA   DAL   5           HA       DAL   5  13.987   3.320  -9.312
  538    HB1  DAL   5           HB1      DAL   5  16.477   2.792 -11.096
  539    HB2  DAL   5           HB2      DAL   5  14.845   2.661 -11.720
  540    HB3  DAL   5           HB3      DAL   5  15.360   1.609 -10.424
  541    H12  P1W 103           H12      TPL  10  -8.987  -8.707   2.653
  542    H11  P1W 103           H11      TPL  10  -7.961  -8.236   4.005
  543    H2   P1W 103           H2       TPL  10  -6.949  -7.524   1.276
  544    H43  P1W 103           H42      TPL  10  -5.056  -8.648   0.460
  545    H42  P1W 103           H41      TPL  10  -4.099  -9.251   1.811
  546    H51  P1W 103           H51      TPL  10  -7.088 -11.246   2.433
  547    H52  P1W 103           H52      TPL  10  -6.997 -10.246   3.883
  548    H53  P1W 103           H53      TPL  10  -5.539 -11.016   3.250
  549    H12  P1W 104           H12      TPL  11  -3.875 -11.014   0.396
  550    H11  P1W 104           H11      TPL  11  -5.374 -11.509   1.174
  551    H2   P1W 104           H2       TPL  11  -6.457 -10.084  -0.855
  552    H43  P1W 104           H42      TPL  11  -6.817 -11.113  -3.135
  553    H42  P1W 104           H41      TPL  11  -5.386 -10.409  -3.888
  554    H51  P1W 104           H51      TPL  11  -3.713 -12.850  -1.566
  555    H52  P1W 104           H52      TPL  11  -2.980 -11.252  -1.410
  556    H53  P1W 104           H53      TPL  11  -3.317 -11.920  -3.006
  557    H12  P1W 105           H12      TPL  11   8.905  -9.688  -9.316
  558    H11  P1W 105           H11      TPL  11   7.946 -11.029  -8.699
  559    H2   P1W 105           H2       TPL  11   7.249  -9.145 -10.837
  560    H43  P1W 105           H42      TPL  11   3.718 -10.143 -10.705
  561    H42  P1W 105           H41      TPL  11   4.897  -9.204 -11.623
  562    H51  P1W 105           H51      TPL  11   5.311 -11.127  -8.116
  563    H52  P1W 105           H52      TPL  11   6.077 -12.321  -9.163
  564    H53  P1W 105           H53      TPL  11   4.373 -11.922  -9.376
  565    H12  P1W 106           H12      TPL  12  -4.859 -12.337  -4.881
  566    H11  P1W 106           H11      TPL  12  -5.052 -13.249  -3.386
  567    H2   P1W 106           H2       TPL  12  -7.686 -12.615  -4.155
  568    H43  P1W 106           H43      TPL  12  -8.300 -15.617  -5.899
  569    H41  P1W 106           H41      TPL  12  -8.407 -14.296  -7.063
  570    H42  P1W 106           H42      TPL  12  -9.055 -14.090  -5.435
  571    H51  P1W 106           H51      TPL  12  -5.169 -13.836  -6.761
  572    H52  P1W 106           H52      TPL  12  -6.055 -15.345  -6.970
  573    H53  P1W 106           H53      TPL  12  -5.063 -15.101  -5.534
  574    H12  P1W 107           H12      TPL  12   5.625 -11.133 -12.820
  575    H11  P1W 107           H11      TPL  12   4.732 -12.214 -11.755
  576    H2   P1W 107           H2       TPL  12   2.635 -11.578 -12.734
  577    H43  P1W 107           H43      TPL  12   2.555 -10.628 -16.273
  578    H41  P1W 107           H41      TPL  12   1.788  -9.544 -15.113
  579    H42  P1W 107           H42      TPL  12   1.601 -11.290 -14.943
  580    H51  P1W 107           H51      TPL  12   5.156  -9.176 -14.280
  581    H52  P1W 107           H52      TPL  12   4.472  -9.409 -15.887
  582    H53  P1W 107           H53      TPL  12   5.508 -10.651 -15.183
  583    H12  P1W 103           H12      TPL  10   9.076 -10.559  -3.955
  584    H11  P1W 103           H11      TPL  10  10.653 -10.017  -4.521
  585    H2   P1W 103           H2       TPL  10   8.908  -8.005  -5.457
  586    H43  P1W 103           H42      TPL  10   6.590  -9.125  -7.515
  587    H42  P1W 103           H41      TPL  10   8.038  -8.161  -7.782
  588    H51  P1W 103           H51      TPL  10   7.105 -11.540  -6.770
  589    H52  P1W 103           H52      TPL  10   7.951 -11.534  -5.221
  590    H53  P1W 103           H53      TPL  10   8.839 -11.848  -6.715
  591    H12  P1W 103           H12      TPL  10 -11.823   5.336  -1.592
  592    H11  P1W 103           H11      TPL  10 -10.284   4.859  -0.893
  593    H2   P1W 103           H2       TPL  10 -10.047   7.538  -0.518
  594    H43  P1W 103           H42      TPL  10  -9.038   8.817  -2.837
  595    H42  P1W 103           H41      TPL  10 -10.299   8.967  -4.057
  596    H51  P1W 103           H51      TPL  10 -11.281   5.985  -3.896
  597    H52  P1W 103           H52      TPL  10 -11.865   7.592  -4.333
  598    H53  P1W 103           H53      TPL  10 -12.631   6.699  -3.016
  599    H12  P1W 103           H12      TPL  10   9.948   4.799  -5.995
  600    H11  P1W 103           H11      TPL  10   8.434   5.711  -5.924
  601    H2   P1W 103           H2       TPL  10   7.437   4.353  -7.536
  602    H43  P1W 103           H42      TPL  10   8.400   2.740  -9.651
  603    H42  P1W 103           H41      TPL  10   8.320   1.148  -8.914
  604    H51  P1W 103           H51      TPL  10   9.704   0.883  -7.260
  605    H52  P1W 103           H52      TPL  10   9.101   1.615  -5.770
  606    H53  P1W 103           H53      TPL  10  10.528   2.280  -6.568
  607    H12  P1W 104           H12      TPL  11 -10.722   9.803  -1.183
  608    H11  P1W 104           H11      TPL  11 -10.054  10.909  -2.378
  609    H2   P1W 104           H2       TPL  11 -12.853   9.722  -2.314
  610    H43  P1W 104           H42      TPL  11 -14.511  11.128  -3.368
  611    H42  P1W 104           H41      TPL  11 -14.130  12.851  -3.329
  612    H51  P1W 104           H51      TPL  11 -11.961  13.641  -3.496
  613    H52  P1W 104           H52      TPL  11 -10.964  12.562  -4.473
  614    H53  P1W 104           H53      TPL  11 -10.680  12.700  -2.739
  615    H12  P1W 105           H12      TPL  11   6.212   2.811  -7.926
  616    H11  P1W 105           H11      TPL  11   6.181   2.801  -9.688
  617    H2   P1W 105           H2       TPL  11   5.994   0.406  -7.837
  618    H43  P1W 105           H42      TPL  11   4.084  -1.109  -8.691
  619    H42  P1W 105           H41      TPL  11   3.673  -0.972 -10.405
  620    H51  P1W 105           H51      TPL  11   4.059   0.716 -11.580
  621    H52  P1W 105           H52      TPL  11   5.499   1.720 -11.402
  622    H53  P1W 105           H53      TPL  11   4.014   2.143 -10.555
  623    H12  P1W 106           H12      TPL  12 -13.598  12.917  -5.589
  624    H11  P1W 106           H11      TPL  12 -13.265  11.190  -5.669
  625    H2   P1W 106           H2       TPL  12 -15.566  10.656  -5.862
  626    H43  P1W 106           H43      TPL  12 -18.372  12.972  -5.973
  627    H41  P1W 106           H41      TPL  12 -17.891  11.298  -6.253
  628    H42  P1W 106           H42      TPL  12 -17.697  12.495  -7.534
  629    H51  P1W 106           H51      TPL  12 -16.825  14.706  -6.118
  630    H52  P1W 106           H52      TPL  12 -15.095  14.424  -6.295
  631    H53  P1W 106           H53      TPL  12 -15.840  14.342  -4.699
  632    H12  P1W 107           H12      TPL  12   6.481  -1.629  -9.605
  633    H11  P1W 107           H11      TPL  12   5.256  -2.892  -9.595
  634    H2   P1W 107           H2       TPL  12   4.801  -2.468 -12.008
  635    H43  P1W 107           H43      TPL  12   7.842  -2.448 -13.983
  636    H41  P1W 107           H41      TPL  12   6.833  -1.020 -14.217
  637    H42  P1W 107           H42      TPL  12   6.085  -2.611 -14.067
  638    H51  P1W 107           H51      TPL  12   8.436  -2.019 -10.855
  639    H52  P1W 107           H52      TPL  12   7.851  -0.367 -11.042
  640    H53  P1W 107           H53      TPL  12   8.822  -1.105 -12.315
  641    H1   MUB 101           H1       NAM   6 -13.215  -8.135   0.536
  642    H2   MUB 101           H2       NAM   6 -13.846  -9.441   2.221
  643    HN2  MUB 101           HN2      NAM   6 -12.348  -9.733   3.867
  644    H81  MUB 101           H81      NAM   6 -10.859 -11.596   4.909
  645    H82  MUB 101           H82      NAM   6  -9.805 -10.247   4.498
  646    H83  MUB 101           H83      NAM   6  -9.421 -11.854   3.889
  647    H3   MUB 101           H3       NAM   6 -12.013 -11.635   0.871
  648    H9   MUB 101           H9       NAM   6 -15.078 -11.007   0.811
  649   H111  MUB 101          H111      NAM   6 -15.096 -11.263   3.764
  650   H112  MUB 101          H112      NAM   6 -16.653 -11.087   3.021
  651   H113  MUB 101          H113      NAM   6 -15.497  -9.850   2.682
  652    H4A  MUB 101           H4       NAM   6 -14.420 -10.548  -0.672
  653    H5   MUB 101           H5       NAM   6 -11.711 -10.163  -1.816
  654    H61  MUB 101           H61      NAM   6 -13.649  -9.121  -2.684
  655    H62  MUB 101           H62      NAM   6 -12.372  -7.890  -2.410
  656    HO6  MUB 101           HO6      NAM   6 -13.929  -7.052  -0.983
  657    H1   NAG 102           H1       NAG   7 -12.390 -13.184  -0.006
  658    H2   NAG 102           H2       NAG   7 -12.466 -13.902  -2.996
  659    H3   NAG 102           H3       NAG   7 -11.230 -15.410  -0.717
  660    H4   NAG 102           H4       NAG   7  -9.655 -14.038  -2.861
  661    H5   NAG 102           H5       NAG   7  -9.976 -13.127   0.190
  662    H61  NAG 102           H61      NAG   7  -7.768 -12.635  -0.980
  663    H62  NAG 102           H62      NAG   7  -8.632 -11.399  -0.077
  664    H81  NAG 102           H81      NAG   7 -15.369 -16.380   0.527
  665    H82  NAG 102           H82      NAG   7 -15.380 -16.717  -1.196
  666    H83  NAG 102           H83      NAG   7 -16.084 -15.209  -0.629
  667    HN2  NAG 102           HN2      NAG   7 -14.271 -14.716  -2.495
  668    HO3  NAG 102           HO3      NAG   7 -11.090 -15.541  -3.556
  669    HO4  NAG 102           HO4      NAG   7  -8.856 -15.834  -1.744
  670    HO6  NAG 102           HO6      NAG   7  -9.585 -11.063  -2.366
  671    H1   MUB 101           H1       NAM   6  12.692  -5.606  -2.162
  672    H2   MUB 101           H2       NAM   6  11.690  -3.677  -2.428
  673    HN2  MUB 101           HN2      NAM   6   9.579  -3.901  -3.196
  674    H81  MUB 101           H81      NAM   6   8.456  -4.346  -6.614
  675    H82  MUB 101           H82      NAM   6   8.206  -3.108  -5.385
  676    H83  MUB 101           H83      NAM   6   7.950  -4.800  -4.967
  677    H3   MUB 101           H3       NAM   6  12.288  -3.906  -5.504
  678    H9   MUB 101           H9       NAM   6  13.017  -2.427  -2.850
  679   H111  MUB 101          H111      NAM   6  10.720  -0.486  -3.186
  680   H112  MUB 101          H112      NAM   6  11.655  -0.521  -1.727
  681   H113  MUB 101          H113      NAM   6  10.866  -1.992  -2.168
  682    H4A  MUB 101           H4       NAM   6  14.519  -3.593  -3.410
  683    H5   MUB 101           H5       NAM   6  14.532  -6.016  -5.154
  684    H61  MUB 101           H61      NAM   6  15.717  -6.914  -3.761
  685    H62  MUB 101           H62      NAM   6  14.539  -6.796  -2.413
  686    HO6  MUB 101           HO6      NAM   6  16.624  -4.960  -3.386
  687    H1   NAG 102           H1       NAG   7  13.604  -3.193  -6.677
  688    H2   NAG 102           H2       NAG   7  16.607  -3.449  -7.433
  689    H3   NAG 102           H3       NAG   7  14.270  -2.723  -9.155
  690    H4   NAG 102           H4       NAG   7  15.788  -5.291  -9.412
  691    H5   NAG 102           H5       NAG   7  12.860  -4.896  -8.193
  692    H61  NAG 102           H61      NAG   7  13.214  -7.052  -9.333
  693    H62  NAG 102           H62      NAG   7  12.750  -7.098  -7.646
  694    H81  NAG 102           H81      NAG   7  16.150   0.914  -7.558
  695    H82  NAG 102           H82      NAG   7  15.486   0.683  -5.951
  696    H83  NAG 102           H83      NAG   7  14.417   1.238  -7.230
  697    HN2  NAG 102           HN2      NAG   7  16.711  -1.520  -6.754
  698    HO3  NAG 102           HO3      NAG   7  16.311  -1.970  -9.724
  699    HO4  NAG 102           HO4      NAG   7  14.755  -4.525 -11.171
  700    HO6  NAG 102           HO6      NAG   7  15.434  -7.137  -8.620
  701    H1   MUB 101           H1       NAM   6 -13.898   1.977   1.109
  702    H2   MUB 101           H2       NAM   6 -12.882   0.602  -0.255
  703    HN2  MUB 101           HN2      NAM   6 -11.050   1.504  -1.183
  704    H81  MUB 101           H81      NAM   6 -10.106   2.125  -3.527
  705    H82  MUB 101           H82      NAM   6 -10.023   3.577  -2.536
  706    H83  MUB 101           H83      NAM   6 -10.841   3.646  -4.093
  707    H3   MUB 101           H3       NAM   6 -14.236   2.116  -2.657
  708    H9   MUB 101           H9       NAM   6 -14.003  -0.585  -1.117
  709   H111  MUB 101          H111      NAM   6 -11.719  -1.554  -2.849
  710   H112  MUB 101          H112      NAM   6 -12.235  -2.464  -1.466
  711   H113  MUB 101          H113      NAM   6 -11.721  -0.841  -1.170
  712    H4A  MUB 101           H4       NAM   6 -15.838   0.200  -0.883
  713    H5   MUB 101           H5       NAM   6 -16.690   3.006  -0.749
  714    H61  MUB 101           H61      NAM   6 -16.821   2.967   1.415
  715    H62  MUB 101           H62      NAM   6 -15.600   1.668   1.676
  716    HO6  MUB 101           HO6      NAM   6 -18.167   1.437   0.225
  717    H1   NAG 102           H1       NAG   7 -15.647   1.776  -3.922
  718    H2   NAG 102           H2       NAG   7 -18.740   1.985  -3.788
  719    H3   NAG 102           H3       NAG   7 -16.948   2.753  -6.054
  720    H4   NAG 102           H4       NAG   7 -18.450   4.739  -4.391
  721    H5   NAG 102           H5       NAG   7 -15.312   4.127  -4.323
  722    H61  NAG 102           H61      NAG   7 -15.990   6.497  -3.880
  723    H62  NAG 102           H62      NAG   7 -14.971   5.661  -2.727
  724    H81  NAG 102           H81      NAG   7 -17.340  -2.041  -5.146
  725    H82  NAG 102           H82      NAG   7 -16.392  -1.703  -6.584
  726    H83  NAG 102           H83      NAG   7 -18.119  -1.384  -6.621
  727    HN2  NAG 102           HN2      NAG   7 -18.737   0.079  -4.494
  728    HO3  NAG 102           HO3      NAG   7 -19.678   3.115  -5.356
  729    HO4  NAG 102           HO4      NAG   7 -17.843   5.162  -6.516
  730    HO6  NAG 102           HO6      NAG   7 -17.331   5.149  -1.899
  731    H1   MUB 101           H1       NAM   6  13.105   7.402  -2.880
  732    H2   MUB 101           H2       NAM   6  12.767   9.385  -1.812
  733    HN2  MUB 101           HN2      NAM   6  10.669  10.100  -1.564
  734    H81  MUB 101           H81      NAM   6   9.098  11.970  -2.313
  735    H82  MUB 101           H82      NAM   6   8.260  10.545  -2.923
  736    H83  MUB 101           H83      NAM   6   8.662  11.848  -4.037
  737    H3   MUB 101           H3       NAM   6  12.175  10.589  -4.652
  738    H9   MUB 101           H9       NAM   6  14.251  10.304  -2.301
  739   H111  MUB 101          H111      NAM   6  12.414  12.285  -1.063
  740   H112  MUB 101          H112      NAM   6  13.779  11.806  -0.106
  741   H113  MUB 101          H113      NAM   6  12.743  10.537  -0.657
  742    H4A  MUB 101           H4       NAM   6  14.869   9.190  -4.120
  743    H5   MUB 101           H5       NAM   6  13.012   8.334  -6.326
  744    H61  MUB 101           H61      NAM   6  14.989   7.188  -6.055
  745    H62  MUB 101           H62      NAM   6  13.709   5.986  -5.705
  746    HO6  MUB 101           HO6      NAM   6  15.771   6.517  -4.166
  747    H1   NAG 102           H1       NAG   7  13.347  11.750  -5.708
  748    H2   NAG 102           H2       NAG   7  15.166  11.199  -8.127
  749    H3   NAG 102           H3       NAG   7  13.261  13.494  -7.690
  750    H4   NAG 102           H4       NAG   7  12.859  11.337  -9.716
  751    H5   NAG 102           H5       NAG   7  11.270  11.725  -6.972
  752    H61  NAG 102           H61      NAG   7   9.892  10.762  -8.800
  753    H62  NAG 102           H62      NAG   7  10.123   9.781  -7.357
  754    H81  NAG 102           H81      NAG   7  16.142  14.995  -4.666
  755    H82  NAG 102           H82      NAG   7  17.090  14.793  -6.128
  756    H83  NAG 102           H83      NAG   7  17.182  13.550  -4.888
  757    HN2  NAG 102           HN2      NAG   7  16.555  12.245  -6.985
  758    HO3  NAG 102           HO3      NAG   7  13.785  13.713  -9.923
  759    HO4  NAG 102           HO4      NAG   7  10.835  12.283  -9.849
  760    HO6  NAG 102           HO6      NAG   7  11.989   8.951  -8.733
  Start of MODEL   17
    1    H    ZAE   1           HN1      DPH   1   7.748 -16.725  -3.787
    2    HA   ZAE   1           HA       DPH   1   7.919 -14.853  -5.263
    3    HB2  ZAE   1           HB1      DPH   1   9.647 -14.209  -2.886
    4    HB3  ZAE   1           HB2      DPH   1   9.896 -15.673  -3.833
    5    HD1  ZAE   1           HD1      DPH   1   9.603 -14.942  -6.557
    6    HD2  ZAE   1           HD2      DPH   1  11.223 -12.649  -3.367
    7    HE1  ZAE   1           HE1      DPH   1  10.937 -13.643  -8.172
    8    HE2  ZAE   1           HE2      DPH   1  12.535 -11.367  -4.959
    9    HZ   ZAE   1           HZ       DPH   1  12.414 -11.848  -7.367
   10    H11  ZAE   1          HN11      DPH   1   7.136 -14.732  -1.710
   11    H12  ZAE   1          HN12      DPH   1   8.527 -15.816  -1.762
   12    H13  ZAE   1          HN13      DPH   1   6.905 -16.476  -1.542
   13    HN2  ZAE   1           HN2      DPH   1   6.320 -15.815  -3.755
   14    H    ILE   2           HN       ILE   2   6.136 -13.513  -5.387
   15    HA   ILE   2           HA       ILE   2   6.397 -11.017  -3.904
   16    HB   ILE   2           HB       ILE   2   4.562 -11.629  -6.253
   17   HG12  ILE   2          HG12      ILE   2   6.945 -11.945  -6.856
   18   HG13  ILE   2          HG11      ILE   2   6.183 -10.622  -7.726
   19   HG21  ILE   2          HG21      ILE   2   4.502  -9.191  -6.564
   20   HG22  ILE   2          HG22      ILE   2   5.494  -8.994  -5.120
   21   HG23  ILE   2          HG23      ILE   2   3.872  -9.673  -4.989
   22   HD11  ILE   2          HD11      ILE   2   8.395  -9.983  -7.040
   23   HD12  ILE   2          HD12      ILE   2   8.028 -10.359  -5.360
   24   HD13  ILE   2          HD13      ILE   2   7.207  -9.027  -6.165
   25    H    SER   3           HN       SER   3   5.182 -10.696  -2.159
   26    HA   SER   3           HA       SER   3   2.504 -11.914  -2.032
   27    HB2  SER   3           HB2      SER   3   4.449 -11.588   0.234
   28    HB3  SER   3           HB1      SER   3   2.752 -12.026   0.433
   29    HG   SER   3           HG       SER   3   3.605 -13.705  -1.317
   30    H    DAR   4           HN       DAR   4   1.221 -10.819  -0.182
   31    HA   DAR   4           HA       DAR   4   1.521  -7.921  -0.585
   32    HB2  DAR   4           HB1      DAR   4   0.698  -9.497   1.833
   33    HB3  DAR   4           HB2      DAR   4   0.340  -7.781   1.672
   34    HG2  DAR   4           HG1      DAR   4   3.133  -8.507   1.140
   35    HG3  DAR   4           HG2      DAR   4   2.592  -8.806   2.795
   36    HD2  DAR   4           HD1      DAR   4   1.550  -6.329   2.261
   37    HD3  DAR   4           HD2      DAR   4   3.091  -6.284   1.408
   38    HE   DAR   4           HE       DAR   4   3.647  -7.280   3.914
   39   HH11  DAR   4          HH21      DAR   4   3.930  -4.231   5.668
   40   HH12  DAR   4          HH22      DAR   4   4.300  -5.993   5.698
   41   HH21  DAR   4          HH11      DAR   4   2.818  -3.317   3.874
   42   HH22  DAR   4          HH12      DAR   4   2.364  -4.356   2.476
   43    HA   28J   5           HA       28J   5  -2.848  -8.145  -0.983
   44    H22  28J   5           HB       28J   5  -1.529  -8.011  -3.393
   45    H23  28J   5          HG21      28J   5  -3.417  -9.459  -2.776
   46    H24  28J   5          HG22      28J   5  -3.639  -8.711  -4.357
   47    H25  28J   5          HG23      28J   5  -4.509  -8.087  -2.958
   48    H26  28J   5          HG11      28J   5  -1.907  -5.516  -3.424
   49    H27  28J   5          HG12      28J   5  -3.639  -5.828  -3.385
   50    H28  28J   5          HD11      28J   5  -3.467  -6.946  -5.449
   51    H29  28J   5          HD12      28J   5  -1.798  -6.760  -5.553
   52    H30  28J   5          HD13      28J   5  -2.829  -5.327  -5.621
   53    H    ILE   6           HN       ILE   6  -4.598  -6.913  -0.881
   54    HA   ILE   6           HA       ILE   6  -4.169  -4.081  -0.249
   55    HB   ILE   6           HB       ILE   6  -6.653  -3.988  -1.167
   56   HG12  ILE   6          HG12      ILE   6  -6.481  -5.535  -3.335
   57   HG13  ILE   6          HG11      ILE   6  -5.477  -6.490  -2.236
   58   HG21  ILE   6          HG21      ILE   6  -5.723  -3.329  -3.409
   59   HG22  ILE   6          HG22      ILE   6  -4.144  -3.868  -2.832
   60   HG23  ILE   6          HG23      ILE   6  -4.976  -2.546  -2.015
   61   HD11  ILE   6          HD11      ILE   6  -7.266  -6.461  -0.599
   62   HD12  ILE   6          HD12      ILE   6  -7.723  -7.222  -2.117
   63   HD13  ILE   6          HD13      ILE   6  -8.268  -5.594  -1.753
   64    H    SER   7           HN       SER   7  -5.134  -3.309   1.642
   65    HA   SER   7           HA       SER   7  -7.403  -4.738   2.733
   66    HB2  SER   7           HB2      SER   7  -4.854  -4.590   4.344
   67    HB3  SER   7           HB1      SER   7  -6.410  -5.165   4.939
   68    HG   SER   7           HG       SER   7  -6.119  -6.620   2.927
   69    H    DTH   8           HN       DTC   8  -7.302  -3.704   5.336
   70    HA   DTH   8           HA       DTC   8  -7.113  -0.797   4.981
   71    HB   DTH   8           HB       DTC   8  -7.449  -0.566   7.368
   72   HG21  DTH   8          HG21      DTC   8  -5.217  -1.239   6.631
   73   HG22  DTH   8          HG22      DTC   8  -5.682  -2.940   6.695
   74   HG23  DTH   8          HG23      DTC   8  -5.602  -1.989   8.178
   75    H    ALA   9           HN       ALA   9  -9.235  -3.075   4.178
   76    HA   ALA   9           HA       ALA   9 -11.531  -1.389   4.138
   77    HB1  ALA   9           HB1      ALA   9 -12.710  -3.253   3.197
   78    HB2  ALA   9           HB2      ALA   9 -11.457  -4.375   3.728
   79    HB3  ALA   9           HB3      ALA   9 -11.102  -3.183   2.477
   80    H    LEU  10           HN       LEU  10 -10.812  -4.427   5.912
   81    HA   LEU  10           HA       LEU  10 -13.033  -3.868   7.718
   82    HB2  LEU  10           HB2      LEU  10 -10.992  -6.098   7.828
   83    HB3  LEU  10           HB1      LEU  10 -12.376  -5.930   8.889
   84    HG   LEU  10           HG       LEU  10 -13.910  -6.419   7.157
   85   HD11  LEU  10          HD11      LEU  10 -13.263  -6.729   4.842
   86   HD12  LEU  10          HD12      LEU  10 -11.602  -6.288   5.239
   87   HD13  LEU  10          HD13      LEU  10 -12.892  -5.096   5.393
   88   HD21  LEU  10          HD21      LEU  10 -12.951  -8.580   6.207
   89   HD22  LEU  10          HD22      LEU  10 -13.070  -8.417   7.951
   90   HD23  LEU  10          HD23      LEU  10 -11.512  -8.207   7.156
   91    H    ILE  11           HN       ILE  11  -9.569  -4.543   8.080
   92    HA   ILE  11           HA       ILE  11  -9.659  -2.788  10.484
   93    HB   ILE  11           HB       ILE  11  -7.535  -3.893  11.200
   94   HG12  ILE  11          HG12      ILE  11  -8.185  -5.932   9.061
   95   HG13  ILE  11          HG11      ILE  11  -6.945  -4.699   8.868
   96   HG21  ILE  11          HG21      ILE  11  -9.919  -5.695  10.785
   97   HG22  ILE  11          HG22      ILE  11  -9.658  -4.596  12.139
   98   HG23  ILE  11          HG23      ILE  11  -8.606  -5.996  11.923
   99   HD11  ILE  11          HD11      ILE  11  -6.980  -6.825  11.000
  100   HD12  ILE  11          HD12      ILE  11  -5.713  -5.624  10.743
  101   HD13  ILE  11          HD13      ILE  11  -6.018  -6.861   9.523
  102    H    ZAE   1           HN1      DPH   1  -8.158   5.833   4.187
  103    HA   ZAE   1           HA       DPH   1  -9.144   4.395   2.572
  104    HB2  ZAE   1           HB1      DPH   1  -9.448   3.173   5.314
  105    HB3  ZAE   1           HB2      DPH   1 -10.239   4.662   4.809
  106    HD1  ZAE   1           HD1      DPH   1 -11.383   4.173   2.235
  107    HD2  ZAE   1           HD2      DPH   1 -10.927   1.411   5.410
  108    HE1  ZAE   1           HE1      DPH   1 -13.220   2.871   1.309
  109    HE2  ZAE   1           HE2      DPH   1 -12.796   0.074   4.464
  110    HZ   ZAE   1           HZ       DPH   1 -13.947   0.824   2.405
  111    H11  ZAE   1          HN11      DPH   1  -6.519   3.531   5.015
  112    H12  ZAE   1          HN12      DPH   1  -7.786   4.293   5.979
  113    H13  ZAE   1          HN13      DPH   1  -6.336   5.202   5.554
  114    HN2  ZAE   1           HN2      DPH   1  -6.983   5.091   3.224
  115    H    ILE   2           HN       ILE   2  -7.626   3.320   1.282
  116    HA   ILE   2           HA       ILE   2  -7.488   0.515   2.111
  117    HB   ILE   2           HB       ILE   2  -7.552   1.785  -0.605
  118   HG12  ILE   2          HG12      ILE   2  -9.669   1.218   0.471
  119   HG13  ILE   2          HG11      ILE   2  -9.400   0.264  -0.981
  120   HG21  ILE   2          HG21      ILE   2  -7.064  -1.150  -0.323
  121   HG22  ILE   2          HG22      ILE   2  -5.710  -0.019  -0.356
  122   HG23  ILE   2          HG23      ILE   2  -6.825  -0.101  -1.719
  123   HD11  ILE   2          HD11      ILE   2 -10.278  -1.179   0.667
  124   HD12  ILE   2          HD12      ILE   2  -9.114  -0.637   1.870
  125   HD13  ILE   2          HD13      ILE   2  -8.576  -1.578   0.483
  126    H    SER   3           HN       SER   3  -5.739  -0.276   2.765
  127    HA   SER   3           HA       SER   3  -3.221   0.897   1.843
  128    HB2  SER   3           HB2      SER   3  -3.666  -0.173   4.601
  129    HB3  SER   3           HB1      SER   3  -2.209   0.604   3.973
  130    HG   SER   3           HG       SER   3  -4.371   2.183   3.638
  131    H    DAR   4           HN       DAR   4  -1.418  -0.538   2.519
  132    HA   DAR   4           HA       DAR   4  -2.103  -3.181   1.468
  133    HB2  DAR   4           HB1      DAR   4  -1.363  -2.722   4.148
  134    HB3  DAR   4           HB2      DAR   4   0.059  -3.385   3.360
  135    HG2  DAR   4           HG1      DAR   4  -1.629  -5.190   2.473
  136    HG3  DAR   4           HG2      DAR   4  -2.597  -4.646   3.846
  137    HD2  DAR   4           HD1      DAR   4   0.274  -5.332   4.235
  138    HD3  DAR   4           HD2      DAR   4  -0.927  -6.615   4.145
  139    HE   DAR   4           HE       DAR   4  -1.478  -4.502   6.055
  140   HH11  DAR   4          HH21      DAR   4  -1.062  -6.813   8.696
  141   HH12  DAR   4          HH22      DAR   4  -1.609  -5.153   8.265
  142   HH21  DAR   4          HH11      DAR   4  -0.223  -8.203   7.075
  143   HH22  DAR   4          HH12      DAR   4  -0.179  -7.659   5.363
  144    HA   28J   5           HA       28J   5   1.995  -2.661  -0.101
  145    H22  28J   5           HB       28J   5   0.151  -1.685  -1.723
  146    H23  28J   5          HG21      28J   5   2.455  -0.965  -1.788
  147    H24  28J   5          HG22      28J   5   1.874  -1.229  -3.433
  148    H25  28J   5          HG23      28J   5   2.912  -2.426  -2.661
  149    H26  28J   5          HG11      28J   5  -0.394  -4.034  -2.546
  150    H27  28J   5          HG12      28J   5   1.143  -3.989  -3.399
  151    H28  28J   5          HD11      28J   5  -0.808  -3.431  -4.817
  152    H29  28J   5          HD12      28J   5   0.409  -2.155  -4.757
  153    H30  28J   5          HD13      28J   5  -1.076  -2.003  -3.818
  154    H    ILE   6           HN       ILE   6   3.571  -3.853  -1.198
  155    HA   ILE   6           HA       ILE   6   2.968  -6.715  -1.466
  156    HB   ILE   6           HB       ILE   6   4.268  -6.491  -3.767
  157   HG12  ILE   6          HG12      ILE   6   3.147  -4.472  -4.974
  158   HG13  ILE   6          HG11      ILE   6   3.011  -3.803  -3.352
  159   HG21  ILE   6          HG21      ILE   6   1.289  -6.165  -3.384
  160   HG22  ILE   6          HG22      ILE   6   2.187  -7.654  -3.691
  161   HG23  ILE   6          HG23      ILE   6   2.032  -6.441  -4.960
  162   HD11  ILE   6          HD11      ILE   6   5.477  -4.105  -3.144
  163   HD12  ILE   6          HD12      ILE   6   4.938  -2.920  -4.330
  164   HD13  ILE   6          HD13      ILE   6   5.479  -4.510  -4.857
  165    H    SER   7           HN       SER   7   4.760  -8.145  -1.165
  166    HA   SER   7           HA       SER   7   7.446  -7.136  -1.218
  167    HB2  SER   7           HB2      SER   7   6.376  -7.760   1.530
  168    HB3  SER   7           HB1      SER   7   7.943  -7.067   1.111
  169    HG   SER   7           HG       SER   7   6.178  -5.481   0.062
  170    H    DTH   8           HN       DTC   8   8.774  -8.610   0.527
  171    HA   DTH   8           HA       DTC   8   7.987 -11.444   0.193
  172    HB   DTH   8           HB       DTC   8   9.237 -12.045   2.232
  173   HG21  DTH   8          HG21      DTC   8   6.895 -11.429   2.574
  174   HG22  DTH   8          HG22      DTC   8   7.331  -9.725   2.717
  175   HG23  DTH   8          HG23      DTC   8   7.869 -10.881   3.937
  176    H    ALA   9           HN       ALA   9  10.219  -9.370  -1.095
  177    HA   ALA   9           HA       ALA   9  12.215 -11.271  -1.569
  178    HB1  ALA   9           HB1      ALA   9  12.078  -9.765  -3.271
  179    HB2  ALA   9           HB2      ALA   9  13.403  -9.064  -2.342
  180    HB3  ALA   9           HB3      ALA   9  11.775  -8.409  -2.183
  181    H    LEU  10           HN       LEU  10  12.308  -8.213  -0.040
  182    HA   LEU  10           HA       LEU  10  14.849  -8.650   1.219
  183    HB2  LEU  10           HB2      LEU  10  12.803  -6.455   1.609
  184    HB3  LEU  10           HB1      LEU  10  14.356  -6.493   2.417
  185    HG   LEU  10           HG       LEU  10  15.548  -6.198   0.364
  186   HD11  LEU  10          HD11      LEU  10  13.382  -7.527  -0.726
  187   HD12  LEU  10          HD12      LEU  10  14.794  -6.906  -1.583
  188   HD13  LEU  10          HD13      LEU  10  13.338  -5.920  -1.448
  189   HD21  LEU  10          HD21      LEU  10  13.133  -4.376   0.228
  190   HD22  LEU  10          HD22      LEU  10  14.727  -4.071  -0.466
  191   HD23  LEU  10          HD23      LEU  10  14.523  -4.130   1.285
  192    H    ILE  11           HN       ILE  11  11.511  -8.862   2.197
  193    HA   ILE  11           HA       ILE  11  12.307 -10.085   4.744
  194    HB   ILE  11           HB       ILE  11  10.420  -8.700   5.904
  195   HG12  ILE  11          HG12      ILE  11  10.499  -6.258   5.075
  196   HG13  ILE  11          HG11      ILE  11  11.084  -6.911   3.551
  197   HG21  ILE  11          HG21      ILE  11  13.102  -7.502   5.261
  198   HG22  ILE  11          HG22      ILE  11  12.722  -8.606   6.583
  199   HG23  ILE  11          HG23      ILE  11  12.052  -6.973   6.575
  200   HD11  ILE  11          HD11      ILE  11   8.393  -7.193   4.824
  201   HD12  ILE  11          HD12      ILE  11   8.949  -8.385   3.650
  202   HD13  ILE  11          HD13      ILE  11   8.810  -6.690   3.187
  203    H    ZAE   1           HN1      DPH   1   7.470  -5.690   3.533
  204    HA   ZAE   1           HA       DPH   1   7.974  -4.802   1.407
  205    HB2  ZAE   1           HB1      DPH   1   9.611  -3.687   3.692
  206    HB3  ZAE   1           HB2      DPH   1   9.940  -5.102   2.697
  207    HD1  ZAE   1           HD1      DPH   1   9.781  -4.270   0.004
  208    HD2  ZAE   1           HD2      DPH   1  11.208  -2.068   3.363
  209    HE1  ZAE   1           HE1      DPH   1  11.204  -2.923  -1.487
  210    HE2  ZAE   1           HE2      DPH   1  12.632  -0.715   1.876
  211    HZ   ZAE   1           HZ       DPH   1  12.633  -1.144  -0.554
  212    H11  ZAE   1          HN11      DPH   1   7.237  -2.901   4.383
  213    H12  ZAE   1          HN12      DPH   1   8.304  -4.152   5.026
  214    H13  ZAE   1          HN13      DPH   1   6.563  -4.268   5.275
  215    HN2  ZAE   1           HN2      DPH   1   6.204  -4.697   3.014
  216    H    ILE   2           HN       ILE   2   6.646  -3.585   0.311
  217    HA   ILE   2           HA       ILE   2   6.694  -0.698   0.828
  218    HB   ILE   2           HB       ILE   2   6.154  -2.295  -1.686
  219   HG12  ILE   2          HG12      ILE   2   8.471  -1.686  -1.251
  220   HG13  ILE   2          HG11      ILE   2   7.860  -0.796  -2.643
  221   HG21  ILE   2          HG21      ILE   2   5.344   0.558  -1.156
  222   HG22  ILE   2          HG22      ILE   2   4.366  -0.760  -1.801
  223   HG23  ILE   2          HG23      ILE   2   5.644  -0.048  -2.785
  224   HD11  ILE   2          HD11      ILE   2   9.081   0.746  -1.387
  225   HD12  ILE   2          HD12      ILE   2   8.353   0.218   0.131
  226   HD13  ILE   2          HD13      ILE   2   7.388   1.088  -1.056
  227    H    SER   3           HN       SER   3   4.992   0.228   1.651
  228    HA   SER   3           HA       SER   3   2.366  -1.035   1.384
  229    HB2  SER   3           HB2      SER   3   3.311   0.399   3.844
  230    HB3  SER   3           HB1      SER   3   1.768  -0.431   3.605
  231    HG   SER   3           HG       SER   3   4.213  -1.798   3.337
  232    H    DAR   4           HN       DAR   4   0.698   0.552   2.152
  233    HA   DAR   4           HA       DAR   4   1.213   3.016   0.675
  234    HB2  DAR   4           HB1      DAR   4   0.340   2.864   3.543
  235    HB3  DAR   4           HB2      DAR   4  -0.244   4.173   2.532
  236    HG2  DAR   4           HG1      DAR   4   2.483   4.249   2.106
  237    HG3  DAR   4           HG2      DAR   4   2.354   3.800   3.804
  238    HD2  DAR   4           HD1      DAR   4   0.618   6.013   2.932
  239    HD3  DAR   4           HD2      DAR   4   2.348   6.342   2.943
  240    HE   DAR   4           HE       DAR   4   1.618   5.126   5.378
  241   HH11  DAR   4          HH21      DAR   4   1.185   8.128   7.174
  242   HH12  DAR   4          HH22      DAR   4   1.416   6.348   7.303
  243   HH21  DAR   4          HH11      DAR   4   1.081   9.134   5.117
  244   HH22  DAR   4          HH12      DAR   4   1.285   8.149   3.622
  245    HA   28J   5           HA       28J   5  -3.061   2.292  -0.016
  246    H22  28J   5           HB       28J   5  -1.595   1.042  -1.768
  247    H23  28J   5          HG21      28J   5  -3.636   0.617  -3.214
  248    H24  28J   5          HG22      28J   5  -4.462   1.824  -2.227
  249    H25  28J   5          HG23      28J   5  -3.829   0.360  -1.479
  250    H26  28J   5          HG11      28J   5  -1.022   3.168  -2.999
  251    H27  28J   5          HG12      28J   5  -2.689   3.222  -3.556
  252    H28  28J   5          HD11      28J   5  -2.401   1.140  -4.749
  253    H29  28J   5          HD12      28J   5  -0.760   0.981  -4.124
  254    H30  28J   5          HD13      28J   5  -1.157   2.294  -5.232
  255    H    ILE   6           HN       ILE   6  -4.847   3.335  -1.004
  256    HA   ILE   6           HA       ILE   6  -4.358   6.183  -1.597
  257    HB   ILE   6           HB       ILE   6  -6.201   5.859  -3.454
  258   HG12  ILE   6          HG12      ILE   6  -4.736   3.240  -3.680
  259   HG13  ILE   6          HG11      ILE   6  -6.362   3.396  -3.033
  260   HG21  ILE   6          HG21      ILE   6  -4.476   5.695  -5.202
  261   HG22  ILE   6          HG22      ILE   6  -3.284   5.242  -3.985
  262   HG23  ILE   6          HG23      ILE   6  -4.026   6.843  -3.941
  263   HD11  ILE   6          HD11      ILE   6  -5.437   3.972  -5.815
  264   HD12  ILE   6          HD12      ILE   6  -7.039   4.372  -5.200
  265   HD13  ILE   6          HD13      ILE   6  -6.511   2.691  -5.261
  266    H    SER   7           HN       SER   7  -5.896   7.611  -0.782
  267    HA   SER   7           HA       SER   7  -8.549   6.747  -0.212
  268    HB2  SER   7           HB2      SER   7  -7.335   7.493   2.333
  269    HB3  SER   7           HB1      SER   7  -8.480   6.208   1.966
  270    HG   SER   7           HG       SER   7  -6.448   5.238   0.965
  271    H    DTH   8           HN       DTC   8  -9.562   8.479   1.366
  272    HA   DTH   8           HA       DTC   8  -8.532  11.189   0.749
  273    HB   DTH   8           HB       DTC   8  -9.758  12.063   2.721
  274   HG21  DTH   8          HG21      DTC   8  -7.847   9.809   3.343
  275   HG22  DTH   8          HG22      DTC   8  -8.282  11.102   4.463
  276   HG23  DTH   8          HG23      DTC   8  -7.414  11.473   2.970
  277    H    ALA   9           HN       ALA   9 -11.048   9.099   0.154
  278    HA   ALA   9           HA       ALA   9 -12.973  10.989  -0.789
  279    HB1  ALA   9           HB1      ALA   9 -12.317   8.814  -1.757
  280    HB2  ALA   9           HB2      ALA   9 -14.036   8.989  -1.513
  281    HB3  ALA   9           HB3      ALA   9 -13.079   8.017  -0.401
  282    H    LEU  10           HN       LEU  10 -12.923   8.281   1.276
  283    HA   LEU  10           HA       LEU  10 -15.423   8.941   2.580
  284    HB2  LEU  10           HB2      LEU  10 -13.395   6.754   3.047
  285    HB3  LEU  10           HB1      LEU  10 -14.836   6.947   4.029
  286    HG   LEU  10           HG       LEU  10 -16.236   6.622   2.023
  287   HD11  LEU  10          HD11      LEU  10 -14.876   7.430   0.305
  288   HD12  LEU  10          HD12      LEU  10 -15.033   5.698   0.006
  289   HD13  LEU  10          HD13      LEU  10 -13.554   6.340   0.723
  290   HD21  LEU  10          HD21      LEU  10 -15.649   4.199   1.621
  291   HD22  LEU  10          HD22      LEU  10 -15.854   4.645   3.314
  292   HD23  LEU  10          HD23      LEU  10 -14.234   4.439   2.647
  293    H    ILE  11           HN       ILE  11 -12.030   8.892   3.377
  294    HA   ILE  11           HA       ILE  11 -12.657  10.651   5.661
  295    HB   ILE  11           HB       ILE  11 -10.625   9.465   6.834
  296   HG12  ILE  11          HG12      ILE  11 -11.026   6.882   6.447
  297   HG13  ILE  11          HG11      ILE  11 -11.548   7.403   4.848
  298   HG21  ILE  11          HG21      ILE  11 -13.397   8.293   6.754
  299   HG22  ILE  11          HG22      ILE  11 -12.848   9.630   7.765
  300   HG23  ILE  11          HG23      ILE  11 -12.213   8.006   8.029
  301   HD11  ILE  11          HD11      ILE  11  -8.838   7.599   6.105
  302   HD12  ILE  11          HD12      ILE  11  -9.287   8.631   4.748
  303   HD13  ILE  11          HD13      ILE  11  -9.301   6.877   4.565
  304    H    ZAE   1           HN1      DPH   1  -8.745  16.422  -4.194
  305    HA   ZAE   1           HA       DPH   1  -9.697  14.262  -4.592
  306    HB2  ZAE   1           HB1      DPH   1 -10.350  14.799  -1.721
  307    HB3  ZAE   1           HB2      DPH   1 -10.669  16.048  -2.913
  308    HD1  ZAE   1           HD1      DPH   1 -11.712  14.722  -5.207
  309    HD2  ZAE   1           HD2      DPH   1 -12.337  13.807  -1.086
  310    HE1  ZAE   1           HE1      DPH   1 -13.908  13.732  -5.758
  311    HE2  ZAE   1           HE2      DPH   1 -14.515  12.816  -1.641
  312    HZ   ZAE   1           HZ       DPH   1 -15.307  12.783  -3.973
  313    H11  ZAE   1          HN11      DPH   1  -7.460  15.197  -1.845
  314    H12  ZAE   1          HN12      DPH   1  -8.681  16.471  -1.831
  315    H13  ZAE   1          HN13      DPH   1  -7.083  16.791  -2.504
  316    HN2  ZAE   1           HN2      DPH   1  -7.521  15.256  -4.289
  317    H    ILE   2           HN       ILE   2  -8.227  12.565  -4.778
  318    HA   ILE   2           HA       ILE   2  -8.052  10.862  -2.418
  319    HB   ILE   2           HB       ILE   2  -7.440  10.290  -5.345
  320   HG12  ILE   2          HG12      ILE   2  -9.682   9.252  -3.586
  321   HG13  ILE   2          HG11      ILE   2  -9.834  10.480  -4.837
  322   HG21  ILE   2          HG21      ILE   2  -7.107   7.957  -4.785
  323   HG22  ILE   2          HG22      ILE   2  -7.399   8.293  -3.079
  324   HG23  ILE   2          HG23      ILE   2  -5.971   8.953  -3.873
  325   HD11  ILE   2          HD11      ILE   2 -10.606   8.413  -5.703
  326   HD12  ILE   2          HD12      ILE   2  -9.116   7.590  -5.237
  327   HD13  ILE   2          HD13      ILE   2  -9.090   8.826  -6.494
  328    H    SER   3           HN       SER   3  -6.178  10.383  -1.382
  329    HA   SER   3           HA       SER   3  -3.639  11.198  -2.584
  330    HB2  SER   3           HB2      SER   3  -4.428  11.907   0.232
  331    HB3  SER   3           HB1      SER   3  -2.852  12.188  -0.508
  332    HG   SER   3           HG       SER   3  -4.687  13.226  -2.100
  333    H    DAR   4           HN       DAR   4  -1.808  10.524  -0.975
  334    HA   DAR   4           HA       DAR   4  -2.305   7.688  -0.436
  335    HB2  DAR   4           HB1      DAR   4  -0.936   9.720   1.305
  336    HB3  DAR   4           HB2      DAR   4  -0.648   7.993   1.487
  337    HG2  DAR   4           HG1      DAR   4  -3.445   8.372   1.415
  338    HG3  DAR   4           HG2      DAR   4  -2.781   9.581   2.516
  339    HD2  DAR   4           HD1      DAR   4  -1.408   7.247   3.130
  340    HD3  DAR   4           HD2      DAR   4  -3.068   6.723   2.859
  341    HE   DAR   4           HE       DAR   4  -3.172   8.963   4.497
  342   HH11  DAR   4          HH21      DAR   4  -2.947   7.287   7.586
  343   HH12  DAR   4          HH22      DAR   4  -3.400   8.824   6.769
  344   HH21  DAR   4          HH11      DAR   4  -2.119   5.530   6.367
  345   HH22  DAR   4          HH12      DAR   4  -1.996   5.661   4.574
  346    HA   28J   5           HA       28J   5   1.765   7.474  -1.990
  347    H22  28J   5           HB       28J   5  -0.001   7.289  -3.995
  348    H23  28J   5          HG21      28J   5   2.021   8.175  -4.578
  349    H24  28J   5          HG22      28J   5   2.101   6.638  -5.440
  350    H25  28J   5          HG23      28J   5   2.931   6.828  -3.898
  351    H26  28J   5          HG11      28J   5  -0.273   4.769  -3.540
  352    H27  28J   5          HG12      28J   5   1.356   4.587  -4.182
  353    H28  28J   5          HD11      28J   5   0.622   5.541  -6.316
  354    H29  28J   5          HD12      28J   5  -1.012   5.705  -5.675
  355    H30  28J   5          HD13      28J   5  -0.304   4.103  -5.886
  356    H    ILE   6           HN       ILE   6   3.368   5.931  -2.120
  357    HA   ILE   6           HA       ILE   6   2.839   3.459  -0.635
  358    HB   ILE   6           HB       ILE   6   4.543   2.520  -2.412
  359   HG12  ILE   6          HG12      ILE   6   3.492   3.461  -4.685
  360   HG13  ILE   6          HG11      ILE   6   3.416   4.931  -3.715
  361   HG21  ILE   6          HG21      ILE   6   1.561   2.703  -2.790
  362   HG22  ILE   6          HG22      ILE   6   2.461   1.466  -1.907
  363   HG23  ILE   6          HG23      ILE   6   2.619   1.590  -3.656
  364   HD11  ILE   6          HD11      ILE   6   5.818   4.673  -3.257
  365   HD12  ILE   6          HD12      ILE   6   5.440   4.868  -4.969
  366   HD13  ILE   6          HD13      ILE   6   5.820   3.274  -4.325
  367    H    SER   7           HN       SER   7   4.260   3.171   1.026
  368    HA   SER   7           HA       SER   7   7.070   3.931   0.763
  369    HB2  SER   7           HB2      SER   7   5.875   4.952   3.263
  370    HB3  SER   7           HB1      SER   7   7.106   5.676   2.227
  371    HG   SER   7           HG       SER   7   5.233   6.050   0.758
  372    H    DTH   8           HN       DTC   8   7.898   3.731   3.340
  373    HA   DTH   8           HA       DTC   8   6.760   1.246   4.502
  374    HB   DTH   8           HB       DTC   8   7.986   1.754   6.603
  375   HG21  DTH   8          HG21      DTC   8   5.730   2.689   6.396
  376   HG22  DTH   8          HG22      DTC   8   6.378   4.145   5.633
  377   HG23  DTH   8          HG23      DTC   8   6.785   3.765   7.307
  378    H    ALA   9           HN       ALA   9   9.089   2.445   2.515
  379    HA   ALA   9           HA       ALA   9  10.855   0.378   2.697
  380    HB1  ALA   9           HB1      ALA   9  10.296   1.330   0.548
  381    HB2  ALA   9           HB2      ALA   9  12.008   1.587   0.850
  382    HB3  ALA   9           HB3      ALA   9  10.864   2.908   1.082
  383    H    LEU  10           HN       LEU  10  11.747   3.556   2.388
  384    HA   LEU  10           HA       LEU  10  13.945   3.745   4.037
  385    HB2  LEU  10           HB2      LEU  10  12.013   5.910   3.152
  386    HB3  LEU  10           HB1      LEU  10  13.508   6.239   4.001
  387    HG   LEU  10           HG       LEU  10  14.819   5.356   2.158
  388   HD11  LEU  10          HD11      LEU  10  13.403   3.587   1.463
  389   HD12  LEU  10          HD12      LEU  10  13.614   4.674   0.089
  390   HD13  LEU  10          HD13      LEU  10  12.120   4.711   1.023
  391   HD21  LEU  10          HD21      LEU  10  13.698   7.744   2.111
  392   HD22  LEU  10          HD22      LEU  10  12.817   7.065   0.743
  393   HD23  LEU  10          HD23      LEU  10  14.575   7.125   0.725
  394    H    ILE  11           HN       ILE  11  10.566   4.385   4.841
  395    HA   ILE  11           HA       ILE  11  11.313   4.541   7.692
  396    HB   ILE  11           HB       ILE  11   9.515   6.448   7.941
  397   HG12  ILE  11          HG12      ILE  11   9.963   8.130   5.955
  398   HG13  ILE  11          HG11      ILE  11  10.253   6.662   5.031
  399   HG21  ILE  11          HG21      ILE  11  12.295   7.011   6.921
  400   HG22  ILE  11          HG22      ILE  11  11.833   6.689   8.594
  401   HG23  ILE  11          HG23      ILE  11  11.275   8.157   7.791
  402   HD11  ILE  11          HD11      ILE  11   7.706   7.391   6.480
  403   HD12  ILE  11          HD12      ILE  11   7.981   5.883   5.609
  404   HD13  ILE  11          HD13      ILE  11   7.969   7.414   4.738
  405    H1   ALA   1           HN       ALA   1 -11.726 -12.432   0.919
  406    HA   ALA   1           HA       ALA   1 -13.507 -14.137  -0.483
  407    HB1  ALA   1           HB1      ALA   1 -15.004 -12.182  -0.311
  408    HB2  ALA   1           HB2      ALA   1 -14.679 -12.742  -1.973
  409    HB3  ALA   1           HB3      ALA   1 -13.853 -11.320  -1.326
  410    H    DGL   2           HN       DGL   2 -13.272 -12.659  -3.070
  411    HA   DGL   2           HA       DGL   2 -11.707 -12.066  -4.648
  412    HB2  DGL   2           HB1      DGL   2  -9.807 -13.795  -4.831
  413    HB3  DGL   2           HB2      DGL   2 -11.447 -14.385  -5.064
  414    HG2  DGL   2           HG1      DGL   2 -11.187 -15.964  -3.438
  415    HG3  DGL   2           HG2      DGL   2 -10.755 -14.765  -2.196
  416    H    LYS   3           HN       LYS   3  -8.503 -14.353  -1.902
  417    HA   LYS   3           HA       LYS   3  -6.467 -14.906  -1.498
  418    HB2  LYS   3           HB2      LYS   3  -7.667 -17.048  -0.926
  419    HB3  LYS   3           HB1      LYS   3  -6.869 -17.728  -2.359
  420    HG2  LYS   3           HG2      LYS   3  -4.976 -16.161  -0.866
  421    HG3  LYS   3           HG1      LYS   3  -5.799 -17.241   0.247
  422    HD2  LYS   3           HD2      LYS   3  -4.022 -18.642  -0.285
  423    HD3  LYS   3           HD1      LYS   3  -5.227 -19.043  -1.461
  424    HE2  LYS   3           HE2      LYS   3  -2.853 -18.945  -2.303
  425    HE3  LYS   3           HE1      LYS   3  -4.411 -18.218  -3.216
  426    HZ1  LYS   3           HZ1      LYS   3  -1.840 -17.166  -3.260
  427    HZ2  LYS   3           HZ2      LYS   3  -2.798 -16.245  -2.316
  428    HZ3  LYS   3           HZ3      LYS   3  -3.341 -16.661  -3.836
  429    H    DAL   4           HN       DAL   4  -6.784 -13.474  -3.400
  430    HA   DAL   4           HA       DAL   4  -5.427 -12.043  -5.146
  431    HB1  DAL   4           HB1      DAL   4  -5.864 -14.272  -6.975
  432    HB2  DAL   4           HB2      DAL   4  -5.325 -12.647  -7.334
  433    HB3  DAL   4           HB3      DAL   4  -7.031 -12.914  -6.729
  434    H    DAL   5           HN       DAL   5  -4.052 -12.102  -3.076
  435    HA   DAL   5           HA       DAL   5  -1.469 -11.891  -1.939
  436    HB1  DAL   5           HB1      DAL   5  -1.909 -12.162  -4.926
  437    HB2  DAL   5           HB2      DAL   5  -0.522 -12.988  -4.295
  438    HB3  DAL   5           HB3      DAL   5  -0.679 -11.250  -4.065
  439    H1   ALA   1           HN       ALA   1  15.124  -8.594  -8.289
  440    HA   ALA   1           HA       ALA   1  17.615  -8.929  -9.596
  441    HB1  ALA   1           HB1      ALA   1  18.086 -10.551  -7.871
  442    HB2  ALA   1           HB2      ALA   1  18.003 -11.297  -9.490
  443    HB3  ALA   1           HB3      ALA   1  16.652 -11.447  -8.361
  444    H    DGL   2           HN       DGL   2  17.248 -11.154 -11.191
  445    HA   DGL   2           HA       DGL   2  15.848 -12.172 -12.754
  446    HB2  DGL   2           HB1      DGL   2  14.260 -10.205 -13.743
  447    HB3  DGL   2           HB2      DGL   2  15.892 -10.518 -14.305
  448    HG2  DGL   2           HG1      DGL   2  16.535  -8.399 -13.770
  449    HG3  DGL   2           HG2      DGL   2  16.116  -8.614 -12.051
  450    H    LYS   3           HN       LYS   3  13.254  -9.005 -12.819
  451    HA   LYS   3           HA       LYS   3  11.413  -7.909 -12.976
  452    HB2  LYS   3           HB2      LYS   3  12.801  -6.661 -11.161
  453    HB3  LYS   3           HB1      LYS   3  12.559  -5.286 -12.255
  454    HG2  LYS   3           HG2      LYS   3  10.123  -6.809 -12.050
  455    HG3  LYS   3           HG1      LYS   3  10.715  -6.475 -10.431
  456    HD2  LYS   3           HD2      LYS   3   9.219  -4.672 -10.829
  457    HD3  LYS   3           HD1      LYS   3  10.836  -4.098 -11.073
  458    HE2  LYS   3           HE1      LYS   3   9.151  -3.156 -12.642
  459    HE3  LYS   3           HE2      LYS   3  10.878  -3.877 -13.184
  460    HZ1  LYS   3           HZ1      LYS   3   8.612  -3.906 -14.701
  461    HZ2  LYS   3           HZ2      LYS   3   8.786  -5.493 -14.074
  462    HZ3  LYS   3           HZ3      LYS   3  10.094  -4.697 -14.795
  463    H    DAL   4           HN       DAL   4  12.298  -8.581 -15.102
  464    HA   DAL   4           HA       DAL   4  11.795  -8.690 -17.677
  465    HB1  DAL   4           HB1      DAL   4  13.084  -6.158 -18.029
  466    HB2  DAL   4           HB2      DAL   4  12.651  -7.380 -19.208
  467    HB3  DAL   4           HB3      DAL   4  13.946  -7.740 -17.970
  468    H    DAL   5           HN       DAL   5   9.706  -9.012 -16.038
  469    HA   DAL   5           HA       DAL   5   7.086  -8.913 -15.856
  470    HB1  DAL   5           HB1      DAL   5   7.651  -7.047 -18.106
  471    HB2  DAL   5           HB2      DAL   5   6.258  -8.048 -17.887
  472    HB3  DAL   5           HB3      DAL   5   7.757  -8.789 -18.512
  473    H1   ALA   1           HN       ALA   1 -16.736   5.744  -7.694
  474    HA   ALA   1           HA       ALA   1 -18.375   6.484  -9.881
  475    HB1  ALA   1           HB1      ALA   1 -16.327   6.504 -11.169
  476    HB2  ALA   1           HB2      ALA   1 -17.459   5.241 -11.726
  477    HB3  ALA   1           HB3      ALA   1 -16.066   4.820 -10.724
  478    H    DGL   2           HN       DGL   2 -18.674   3.998 -11.223
  479    HA   DGL   2           HA       DGL   2 -19.129   1.786 -10.908
  480    HB2  DGL   2           HB1      DGL   2 -20.830   1.563  -8.825
  481    HB3  DGL   2           HB2      DGL   2 -21.359   2.273 -10.340
  482    HG2  DGL   2           HG1      DGL   2 -21.955   4.215  -9.294
  483    HG3  DGL   2           HG2      DGL   2 -20.317   4.480  -8.645
  484    H    LYS   3           HN       LYS   3 -20.023   2.661  -6.751
  485    HA   LYS   3           HA       LYS   3 -20.330   2.330  -4.645
  486    HB2  LYS   3           HB2      LYS   3 -21.080   4.773  -4.832
  487    HB3  LYS   3           HB1      LYS   3 -22.675   4.132  -4.388
  488    HG2  LYS   3           HG2      LYS   3 -20.699   2.869  -2.747
  489    HG3  LYS   3           HG1      LYS   3 -20.368   4.595  -2.737
  490    HD2  LYS   3           HD2      LYS   3 -21.746   4.292  -0.818
  491    HD3  LYS   3           HD1      LYS   3 -22.714   4.954  -2.094
  492    HE2  LYS   3           HE1      LYS   3 -23.926   3.341  -0.691
  493    HE3  LYS   3           HE2      LYS   3 -23.873   3.225  -2.637
  494    HZ1  LYS   3           HZ1      LYS   3 -24.112   1.106  -0.931
  495    HZ2  LYS   3           HZ2      LYS   3 -22.566   1.165  -1.410
  496    HZ3  LYS   3           HZ3      LYS   3 -23.769   1.260  -2.569
  497    H    DAL   4           HN       DAL   4 -20.815   0.524  -6.052
  498    HA   DAL   4           HA       DAL   4 -21.456  -2.028  -6.029
  499    HB1  DAL   4           HB1      DAL   4 -24.118  -1.221  -6.707
  500    HB2  DAL   4           HB2      DAL   4 -23.370  -2.802  -6.798
  501    HB3  DAL   4           HB3      DAL   4 -22.777  -1.460  -7.886
  502    H    DAL   5           HN       DAL   5 -20.212  -1.535  -3.843
  503    HA   DAL   5           HA       DAL   5 -19.827  -2.122  -1.312
  504    HB1  DAL   5           HB1      DAL   5 -22.570  -3.160  -1.813
  505    HB2  DAL   5           HB2      DAL   5 -21.369  -3.810  -0.753
  506    HB3  DAL   5           HB3      DAL   5 -21.246  -4.153  -2.501
  507    H1   ALA   1           HN       ALA   1  16.007   7.239  -4.418
  508    HA   ALA   1           HA       ALA   1  18.374   8.309  -5.545
  509    HB1  ALA   1           HB1      ALA   1  19.383   8.017  -3.397
  510    HB2  ALA   1           HB2      ALA   1  20.102   6.893  -4.582
  511    HB3  ALA   1           HB3      ALA   1  18.913   6.321  -3.408
  512    H    DGL   2           HN       DGL   2  15.859   6.859  -6.165
  513    HA   DGL   2           HA       DGL   2  16.745   4.153  -6.924
  514    HB2  DGL   2           HB1      DGL   2  16.329   4.777  -9.335
  515    HB3  DGL   2           HB2      DGL   2  17.657   5.683  -8.637
  516    HG2  DGL   2           HG1      DGL   2  16.705   7.633  -9.377
  517    HG3  DGL   2           HG2      DGL   2  15.297   7.402  -8.310
  518    H    LYS   3           HN       LYS   3  13.910   5.441  -9.478
  519    HA   LYS   3           HA       LYS   3  12.510   4.881 -11.014
  520    HB2  LYS   3           HB2      LYS   3  12.091   7.406 -10.510
  521    HB3  LYS   3           HB1      LYS   3  12.378   7.555 -12.255
  522    HG2  LYS   3           HG2      LYS   3  10.771   5.236 -11.808
  523    HG3  LYS   3           HG1      LYS   3  10.079   6.537 -10.853
  524    HD2  LYS   3           HD2      LYS   3   8.870   6.566 -12.939
  525    HD3  LYS   3           HD1      LYS   3   9.967   7.905 -12.847
  526    HE2  LYS   3           HE1      LYS   3   9.745   6.980 -15.114
  527    HE3  LYS   3           HE2      LYS   3  11.467   7.273 -14.252
  528    HZ1  LYS   3           HZ1      LYS   3  10.976   5.367 -16.115
  529    HZ2  LYS   3           HZ2      LYS   3  10.914   4.546 -14.612
  530    HZ3  LYS   3           HZ3      LYS   3  12.195   5.587 -14.979
  531    H    DAL   4           HN       DAL   4  14.549   3.834 -11.429
  532    HA   DAL   4           HA       DAL   4  15.700   2.060 -12.999
  533    HB1  DAL   4           HB1      DAL   4  17.006   4.285 -14.248
  534    HB2  DAL   4           HB2      DAL   4  17.366   2.576 -14.366
  535    HB3  DAL   4           HB3      DAL   4  17.578   3.432 -12.767
  536    H    DAL   5           HN       DAL   5  13.364   1.309 -13.139
  537    HA   DAL   5           HA       DAL   5  11.321   0.310 -14.463
  538    HB1  DAL   5           HB1      DAL   5  12.271  -0.216 -16.492
  539    HB2  DAL   5           HB2      DAL   5  13.742   0.118 -15.648
  540    HB3  DAL   5           HB3      DAL   5  13.143   1.312 -16.833
  541    H12  P1W 103           H12      TPL  10  -7.900  -8.954   4.988
  542    H11  P1W 103           H11      TPL  10  -7.682  -8.652   6.712
  543    H2   P1W 103           H2       TPL  10  -5.779  -9.954   5.328
  544    H43  P1W 103           H42      TPL  10  -2.814  -8.472   6.836
  545    H42  P1W 103           H41      TPL  10  -3.478  -9.964   6.172
  546    H51  P1W 103           H51      TPL  10  -5.976  -6.744   7.132
  547    H52  P1W 103           H52      TPL  10  -4.400  -6.246   6.527
  548    H53  P1W 103           H53      TPL  10  -4.508  -7.189   8.015
  549    H12  P1W 104           H12      TPL  11  -3.036  -7.512   4.497
  550    H11  P1W 104           H11      TPL  11  -1.762  -8.702   4.753
  551    H2   P1W 104           H2       TPL  11  -4.029 -10.230   3.986
  552    H43  P1W 104           H42      TPL  11  -3.611  -9.697   0.307
  553    H42  P1W 104           H41      TPL  11  -3.980 -10.946   1.498
  554    H51  P1W 104           H51      TPL  11  -3.754  -7.197   1.265
  555    H52  P1W 104           H52      TPL  11  -2.132  -7.882   1.178
  556    H53  P1W 104           H53      TPL  11  -2.672  -7.081   2.652
  557    H12  P1W 105           H12      TPL  11   7.490  -2.045  -5.013
  558    H11  P1W 105           H11      TPL  11   8.469  -0.772  -4.284
  559    H2   P1W 105           H2       TPL  11   9.867  -0.937  -6.530
  560    H43  P1W 105           H42      TPL  11   7.447  -0.260  -9.309
  561    H42  P1W 105           H41      TPL  11   8.968   0.354  -8.651
  562    H51  P1W 105           H51      TPL  11   6.023  -1.353  -8.239
  563    H52  P1W 105           H52      TPL  11   5.995  -0.928  -6.527
  564    H53  P1W 105           H53      TPL  11   6.473  -2.550  -7.025
  565    H12  P1W 106           H12      TPL  12  -6.164 -10.448   1.501
  566    H11  P1W 106           H11      TPL  12  -5.869  -8.712   1.549
  567    H2   P1W 106           H2       TPL  12  -5.772  -8.565  -0.828
  568    H43  P1W 106           H43      TPL  12  -6.095 -11.079  -3.244
  569    H41  P1W 106           H41      TPL  12  -6.477  -9.376  -2.960
  570    H42  P1W 106           H42      TPL  12  -7.735 -10.602  -2.802
  571    H51  P1W 106           H51      TPL  12  -7.514 -12.154  -0.335
  572    H52  P1W 106           H52      TPL  12  -5.833 -12.130   0.197
  573    H53  P1W 106           H53      TPL  12  -6.236 -12.708  -1.423
  574    H12  P1W 107           H12      TPL  12   9.221  -2.461  -8.922
  575    H11  P1W 107           H11      TPL  12   8.559  -1.837 -10.430
  576    H2   P1W 107           H2       TPL  12  11.225  -1.194  -9.172
  577    H43  P1W 107           H43      TPL  12  12.683  -0.720 -12.073
  578    H41  P1W 107           H41      TPL  12  12.732   0.166 -10.542
  579    H42  P1W 107           H42      TPL  12  12.088   0.938 -11.990
  580    H51  P1W 107           H51      TPL  12  10.110   0.413 -12.928
  581    H52  P1W 107           H52      TPL  12   8.816   0.048 -11.787
  582    H53  P1W 107           H53      TPL  12   9.548  -1.252 -12.733
  583    H12  P1W 103           H12      TPL  10   7.330  -5.190  -1.708
  584    H11  P1W 103           H11      TPL  10   8.307  -6.263  -2.722
  585    H2   P1W 103           H2       TPL  10   9.148  -3.394  -2.109
  586    H43  P1W 103           H42      TPL  10  10.102  -2.235  -3.783
  587    H42  P1W 103           H41      TPL  10  10.102  -2.900  -5.414
  588    H51  P1W 103           H51      TPL  10   7.491  -4.068  -5.766
  589    H52  P1W 103           H52      TPL  10   7.304  -5.358  -4.578
  590    H53  P1W 103           H53      TPL  10   8.700  -5.356  -5.657
  591    H12  P1W 103           H12      TPL  10 -11.497   4.082  -0.056
  592    H11  P1W 103           H11      TPL  10 -10.079   3.436   0.781
  593    H2   P1W 103           H2       TPL  10  -9.363   4.694  -1.756
  594    H43  P1W 103           H42      TPL  10  -9.791   3.007  -4.314
  595    H42  P1W 103           H41      TPL  10  -8.364   3.386  -3.348
  596    H51  P1W 103           H51      TPL  10 -11.902   1.907  -2.974
  597    H52  P1W 103           H52      TPL  10 -11.801   1.918  -1.219
  598    H53  P1W 103           H53      TPL  10 -10.838   0.761  -2.141
  599    H12  P1W 103           H12      TPL  10   8.731   6.693  -1.007
  600    H11  P1W 103           H11      TPL  10   9.026   7.973   0.182
  601    H2   P1W 103           H2       TPL  10   6.219   7.354   0.299
  602    H43  P1W 103           H42      TPL  10   4.530   8.323  -2.258
  603    H42  P1W 103           H41      TPL  10   4.616   8.508  -0.512
  604    H51  P1W 103           H51      TPL  10   7.778   9.595  -2.730
  605    H52  P1W 103           H52      TPL  10   6.586   8.644  -3.611
  606    H53  P1W 103           H53      TPL  10   8.018   7.855  -2.952
  607    H12  P1W 104           H12      TPL  11  -7.621   1.304  -3.623
  608    H11  P1W 104           H11      TPL  11  -9.046   0.660  -2.821
  609    H2   P1W 104           H2       TPL  11  -9.208   1.338  -5.790
  610    H43  P1W 104           H42      TPL  11  -9.759  -2.352  -6.354
  611    H42  P1W 104           H41      TPL  11 -10.625  -0.863  -6.740
  612    H51  P1W 104           H51      TPL  11  -8.153  -2.465  -4.678
  613    H52  P1W 104           H52      TPL  11  -9.594  -2.163  -3.705
  614    H53  P1W 104           H53      TPL  11  -8.121  -1.239  -3.411
  615    H12  P1W 105           H12      TPL  11   5.072  10.775  -0.631
  616    H11  P1W 105           H11      TPL  11   5.645  10.691  -2.292
  617    H2   P1W 105           H2       TPL  11   2.863  11.059  -1.355
  618    H43  P1W 105           H42      TPL  11   1.844  11.074  -5.000
  619    H42  P1W 105           H41      TPL  11   1.121  10.563  -3.469
  620    H51  P1W 105           H51      TPL  11   3.770  10.615  -5.467
  621    H52  P1W 105           H52      TPL  11   4.784   9.668  -4.377
  622    H53  P1W 105           H53      TPL  11   5.007  11.413  -4.500
  623    H12  P1W 106           H12      TPL  12  -8.871  -0.024  -8.007
  624    H11  P1W 106           H11      TPL  12  -7.676  -1.064  -7.241
  625    H2   P1W 106           H2       TPL  12  -9.802  -1.965  -9.230
  626    H43  P1W 106           H43      TPL  12  -7.853  -3.467 -11.205
  627    H41  P1W 106           H41      TPL  12  -9.192  -4.171 -10.286
  628    H42  P1W 106           H42      TPL  12  -7.553  -4.781 -10.067
  629    H51  P1W 106           H51      TPL  12  -5.914  -3.657  -9.060
  630    H52  P1W 106           H52      TPL  12  -6.604  -3.271  -7.484
  631    H53  P1W 106           H53      TPL  12  -6.038  -1.972  -8.539
  632    H12  P1W 107           H12      TPL  12   0.524  12.854  -3.825
  633    H11  P1W 107           H11      TPL  12   1.729  12.825  -2.539
  634    H2   P1W 107           H2       TPL  12   2.325  13.493  -5.455
  635    H43  P1W 107           H43      TPL  12   5.227  15.054  -4.648
  636    H41  P1W 107           H41      TPL  12   4.103  16.393  -4.372
  637    H42  P1W 107           H42      TPL  12   3.871  15.313  -5.746
  638    H51  P1W 107           H51      TPL  12   4.212  15.421  -2.175
  639    H52  P1W 107           H52      TPL  12   3.920  13.696  -1.956
  640    H53  P1W 107           H53      TPL  12   2.575  14.835  -1.864
  641    H1   MUB 101           H1       NAM   6 -10.769  -8.580   2.136
  642    H2   MUB 101           H2       NAM   6 -12.110  -9.533   3.685
  643    HN2  MUB 101           HN2      NAM   6 -11.444  -9.203   5.823
  644    H81  MUB 101           H81      NAM   6  -8.985 -11.129   7.656
  645    H82  MUB 101           H82      NAM   6 -10.696 -10.779   7.842
  646    H83  MUB 101           H83      NAM   6  -9.578  -9.441   7.607
  647    H3   MUB 101           H3       NAM   6  -9.900 -11.753   3.883
  648    H9   MUB 101           H9       NAM   6 -12.603 -11.153   2.397
  649   H111  MUB 101          H111      NAM   6 -13.820 -11.167   5.129
  650   H112  MUB 101          H112      NAM   6 -14.971 -11.169   3.820
  651   H113  MUB 101          H113      NAM   6 -13.788  -9.914   3.810
  652    H4A  MUB 101           H4       NAM   6 -11.210 -11.092   1.203
  653    H5   MUB 101           H5       NAM   6  -8.221 -10.922   1.515
  654    H61  MUB 101           H61      NAM   6  -8.626 -10.202  -0.458
  655    H62  MUB 101           H62      NAM   6  -8.735  -8.564   0.310
  656    HO6  MUB 101           HO6      NAM   6 -10.607 -10.092  -1.028
  657    H1   NAG 102           H1       NAG   7 -10.162 -13.798   2.950
  658    H2   NAG 102           H2       NAG   7  -8.263 -14.430   0.557
  659    H3   NAG 102           H3       NAG   7  -8.762 -16.055   3.059
  660    H4   NAG 102           H4       NAG   7  -6.182 -14.646   2.475
  661    H5   NAG 102           H5       NAG   7  -8.405 -13.762   4.605
  662    H61  NAG 102           H61      NAG   7  -6.042 -13.233   5.213
  663    H62  NAG 102           H62      NAG   7  -7.217 -11.931   5.147
  664    H81  NAG 102           H81      NAG   7 -12.425 -15.939  -0.038
  665    H82  NAG 102           H82      NAG   7 -12.670 -17.114   1.251
  666    H83  NAG 102           H83      NAG   7 -11.505 -17.465  -0.024
  667    HN2  NAG 102           HN2      NAG   7 -10.010 -15.174  -0.234
  668    HO3  NAG 102           HO3      NAG   7  -8.087 -17.035   1.103
  669    HO4  NAG 102           HO4      NAG   7  -6.307 -16.469   3.812
  670    HO6  NAG 102           HO6      NAG   7  -6.297 -11.346   3.175
  671    H1   MUB 101           H1       NAM   6  11.556  -8.467  -5.260
  672    H2   MUB 101           H2       NAM   6  13.565  -8.068  -4.379
  673    HN2  MUB 101           HN2      NAM   6  13.716  -6.454  -2.818
  674    H81  MUB 101           H81      NAM   6  12.985  -3.888  -2.206
  675    H82  MUB 101           H82      NAM   6  13.828  -2.865  -3.360
  676    H83  MUB 101           H83      NAM   6  14.743  -4.086  -2.484
  677    H3   MUB 101           H3       NAM   6  13.631  -5.508  -6.224
  678    H9   MUB 101           H9       NAM   6  15.022  -8.369  -6.454
  679   H111  MUB 101          H111      NAM   6  15.596  -7.802  -3.600
  680   H112  MUB 101          H112      NAM   6  16.523  -9.133  -4.232
  681   H113  MUB 101          H113      NAM   6  14.812  -9.224  -4.422
  682    H4A  MUB 101           H4       NAM   6  13.671  -8.281  -7.481
  683    H5   MUB 101           H5       NAM   6  11.412  -6.487  -8.186
  684    H61  MUB 101           H61      NAM   6  11.477  -8.797  -8.675
  685    H62  MUB 101           H62      NAM   6   9.933  -8.452  -7.819
  686    HO6  MUB 101           HO6      NAM   6  10.838  -9.861  -6.275
  687    H1   NAG 102           H1       NAG   7  15.041  -5.229  -7.828
  688    H2   NAG 102           H2       NAG   7  13.650  -4.954 -10.589
  689    H3   NAG 102           H3       NAG   7  15.605  -3.093  -9.195
  690    H4   NAG 102           H4       NAG   7  12.720  -2.436  -9.686
  691    H5   NAG 102           H5       NAG   7  14.071  -3.216  -6.903
  692    H61  NAG 102           H61      NAG   7  12.032  -1.618  -6.985
  693    H62  NAG 102           H62      NAG   7  12.194  -2.931  -5.825
  694    H81  NAG 102           H81      NAG   7  18.704  -6.179 -10.157
  695    H82  NAG 102           H82      NAG   7  17.925  -5.839 -11.699
  696    H83  NAG 102           H83      NAG   7  17.475  -7.294 -10.810
  697    HN2  NAG 102           HN2      NAG   7  15.262  -6.030 -11.263
  698    HO3  NAG 102           HO3      NAG   7  15.485  -3.175 -11.432
  699    HO4  NAG 102           HO4      NAG   7  14.303  -0.796  -9.446
  700    HO6  NAG 102           HO6      NAG   7  10.846  -4.133  -7.200
  701    H1   MUB 101           H1       NAM   6 -14.137   5.034  -3.766
  702    H2   MUB 101           H2       NAM   6 -13.704   6.295  -5.520
  703    HN2  MUB 101           HN2      NAM   6 -12.394   8.060  -4.934
  704    H81  MUB 101           H81      NAM   6 -12.048   9.983  -3.281
  705    H82  MUB 101           H82      NAM   6 -13.387  11.115  -3.385
  706    H83  MUB 101           H83      NAM   6 -12.511  10.704  -4.865
  707    H3   MUB 101           H3       NAM   6 -15.989   8.154  -4.439
  708    H9   MUB 101           H9       NAM   6 -15.348   6.712  -7.205
  709   H111  MUB 101          H111      NAM   6 -12.875   8.463  -7.325
  710   H112  MUB 101          H112      NAM   6 -13.203   7.421  -8.680
  711   H113  MUB 101          H113      NAM   6 -13.100   6.667  -7.133
  712    H4A  MUB 101           H4       NAM   6 -16.284   5.697  -6.228
  713    H5   MUB 101           H5       NAM   6 -17.620   5.662  -3.594
  714    H61  MUB 101           H61      NAM   6 -17.200   3.723  -4.868
  715    H62  MUB 101           H62      NAM   6 -16.468   3.479  -3.225
  716    HO6  MUB 101           HO6      NAM   6 -15.135   3.020  -5.329
  717    H1   NAG 102           H1       NAG   7 -18.224   8.667  -5.790
  718    H2   NAG 102           H2       NAG   7 -20.313   6.594  -4.739
  719    H3   NAG 102           H3       NAG   7 -20.586   9.608  -4.989
  720    H4   NAG 102           H4       NAG   7 -20.429   8.170  -2.367
  721    H5   NAG 102           H5       NAG   7 -18.137   9.918  -3.735
  722    H61  NAG 102           H61      NAG   7 -18.196   9.939  -1.221
  723    H62  NAG 102           H62      NAG   7 -16.751   9.551  -2.117
  724    H81  NAG 102           H81      NAG   7 -20.438   8.604  -9.542
  725    H82  NAG 102           H82      NAG   7 -21.877   7.923  -8.791
  726    H83  NAG 102           H83      NAG   7 -20.512   6.867  -9.145
  727    HN2  NAG 102           HN2      NAG   7 -20.988   6.506  -6.652
  728    HO3  NAG 102           HO3      NAG   7 -22.382   8.993  -3.632
  729    HO4  NAG 102           HO4      NAG   7 -20.217  10.896  -3.087
  730    HO6  NAG 102           HO6      NAG   7 -17.173   7.324  -1.572
  731    H1   MUB 101           H1       NAM   6  12.950   5.245  -1.937
  732    H2   MUB 101           H2       NAM   6  13.855   7.182  -1.169
  733    HN2  MUB 101           HN2      NAM   6  12.467   8.552  -0.099
  734    H81  MUB 101           H81      NAM   6  11.351  10.854  -0.362
  735    H82  MUB 101           H82      NAM   6  10.057   9.687  -0.153
  736    H83  MUB 101           H83      NAM   6  10.005  10.769  -1.540
  737    H3   MUB 101           H3       NAM   6  12.495   8.560  -3.651
  738    H9   MUB 101           H9       NAM   6  15.402   7.789  -2.685
  739   H111  MUB 101          H111      NAM   6  16.169   8.111  -0.393
  740   H112  MUB 101          H112      NAM   6  14.519   8.662  -0.476
  741   H113  MUB 101          H113      NAM   6  15.743   9.876  -0.503
  742    H4A  MUB 101           H4       NAM   6  14.861   6.643  -3.988
  743    H5   MUB 101           H5       NAM   6  12.308   6.015  -5.343
  744    H61  MUB 101           H61      NAM   6  14.071   4.459  -5.192
  745    H62  MUB 101           H62      NAM   6  12.576   3.703  -4.498
  746    HO6  MUB 101           HO6      NAM   6  14.560   3.502  -3.137
  747    H1   NAG 102           H1       NAG   7  13.581   9.535  -5.205
  748    H2   NAG 102           H2       NAG   7  13.643   8.233  -8.012
  749    H3   NAG 102           H3       NAG   7  12.857  11.068  -7.324
  750    H4   NAG 102           H4       NAG   7  10.892   9.003  -8.243
  751    H5   NAG 102           H5       NAG   7  11.235  10.111  -5.261
  752    H61  NAG 102           H61      NAG   7   8.919   9.596  -5.774
  753    H62  NAG 102           H62      NAG   7   9.657   8.589  -4.540
  754    H81  NAG 102           H81      NAG   7  17.343  11.297  -6.040
  755    H82  NAG 102           H82      NAG   7  17.103  11.269  -7.783
  756    H83  NAG 102           H83      NAG   7  17.585   9.789  -6.958
  757    HN2  NAG 102           HN2      NAG   7  15.540   8.963  -8.106
  758    HO3  NAG 102           HO3      NAG   7  12.112  10.814  -9.500
  759    HO4  NAG 102           HO4      NAG   7   9.443  10.542  -7.743
  760    HO6  NAG 102           HO6      NAG   7   9.930   7.025  -6.252
  Start of MODEL   18
    1    H    ZAE   1           HN1      DPH   1   9.132 -15.364  -2.597
    2    HA   ZAE   1           HA       DPH   1   7.708 -14.400  -4.152
    3    HB2  ZAE   1           HB1      DPH   1  10.090 -12.542  -4.011
    4    HB3  ZAE   1           HB2      DPH   1  10.140 -14.170  -4.676
    5    HD1  ZAE   1           HD1      DPH   1   8.364 -14.646  -6.565
    6    HD2  ZAE   1           HD2      DPH   1   9.708 -10.767  -5.436
    7    HE1  ZAE   1           HE1      DPH   1   7.685 -13.773  -8.764
    8    HE2  ZAE   1           HE2      DPH   1   9.031  -9.893  -7.630
    9    HZ   ZAE   1           HZ       DPH   1   8.020 -11.395  -9.299
   10    H11  ZAE   1          HN11      DPH   1   9.629 -12.686  -1.481
   11    H12  ZAE   1          HN12      DPH   1  10.770 -13.642  -2.427
   12    H13  ZAE   1          HN13      DPH   1  10.248 -14.211  -0.841
   13    HN2  ZAE   1           HN2      DPH   1   8.012 -14.478  -1.689
   14    H    ILE   2           HN       ILE   2   5.922 -13.264  -4.167
   15    HA   ILE   2           HA       ILE   2   5.981 -10.526  -3.122
   16    HB   ILE   2           HB       ILE   2   4.917 -11.633  -5.531
   17   HG12  ILE   2          HG12      ILE   2   4.233  -9.210  -5.938
   18   HG13  ILE   2          HG11      ILE   2   4.837  -8.873  -4.318
   19   HG21  ILE   2          HG21      ILE   2   2.595 -10.915  -5.514
   20   HG22  ILE   2          HG22      ILE   2   2.734 -10.436  -3.823
   21   HG23  ILE   2          HG23      ILE   2   2.868 -12.136  -4.270
   22   HD11  ILE   2          HD11      ILE   2   7.045  -9.577  -4.937
   23   HD12  ILE   2          HD12      ILE   2   6.474  -8.373  -6.097
   24   HD13  ILE   2          HD13      ILE   2   6.471 -10.086  -6.522
   25    H    SER   3           HN       SER   3   4.904 -10.068  -1.314
   26    HA   SER   3           HA       SER   3   2.625 -11.725  -0.514
   27    HB2  SER   3           HB2      SER   3   4.833 -10.953   1.386
   28    HB3  SER   3           HB1      SER   3   3.362 -11.832   1.795
   29    HG   SER   3           HG       SER   3   4.443 -13.168  -0.157
   30    H    DAR   4           HN       DAR   4   1.178 -10.728   0.927
   31    HA   DAR   4           HA       DAR   4   1.336  -7.794   0.834
   32    HB2  DAR   4           HB1      DAR   4   0.385  -9.608   3.039
   33    HB3  DAR   4           HB2      DAR   4   0.008  -7.889   2.990
   34    HG2  DAR   4           HG1      DAR   4   2.841  -8.824   2.795
   35    HG3  DAR   4           HG2      DAR   4   2.041  -8.710   4.366
   36    HD2  DAR   4           HD1      DAR   4   3.072  -6.638   4.121
   37    HD3  DAR   4           HD2      DAR   4   1.405  -6.333   3.645
   38    HE   DAR   4           HE       DAR   4   2.854  -6.980   1.350
   39   HH11  DAR   4          HH21      DAR   4   3.837  -3.688   0.548
   40   HH12  DAR   4          HH22      DAR   4   3.650  -5.365  -0.076
   41   HH21  DAR   4          HH11      DAR   4   3.275  -3.197   2.725
   42   HH22  DAR   4          HH12      DAR   4   2.590  -4.483   3.783
   43    HA   28J   5           HA       28J   5  -2.804  -8.346  -0.382
   44    H22  28J   5           HB       28J   5  -2.764  -7.200  -2.902
   45    H23  28J   5          HG21      28J   5  -0.711  -8.048  -3.956
   46    H24  28J   5          HG22      28J   5  -0.090  -8.489  -2.364
   47    H25  28J   5          HG23      28J   5  -0.377  -6.791  -2.763
   48    H26  28J   5          HG11      28J   5  -3.653  -9.460  -2.214
   49    H27  28J   5          HG12      28J   5  -2.000 -10.065  -2.255
   50    H28  28J   5          HD11      28J   5  -1.851  -9.639  -4.619
   51    H29  28J   5          HD12      28J   5  -3.458  -8.912  -4.621
   52    H30  28J   5          HD13      28J   5  -3.268 -10.631  -4.277
   53    H    ILE   6           HN       ILE   6  -4.562  -7.020  -0.991
   54    HA   ILE   6           HA       ILE   6  -4.147  -4.187  -0.360
   55    HB   ILE   6           HB       ILE   6  -6.272  -3.866  -1.723
   56   HG12  ILE   6          HG12      ILE   6  -5.552  -6.644  -2.675
   57   HG13  ILE   6          HG11      ILE   6  -6.964  -6.199  -1.710
   58   HG21  ILE   6          HG21      ILE   6  -4.117  -3.133  -2.579
   59   HG22  ILE   6          HG22      ILE   6  -5.080  -3.823  -3.885
   60   HG23  ILE   6          HG23      ILE   6  -3.771  -4.760  -3.167
   61   HD11  ILE   6          HD11      ILE   6  -7.812  -4.840  -3.454
   62   HD12  ILE   6          HD12      ILE   6  -7.429  -6.438  -4.097
   63   HD13  ILE   6          HD13      ILE   6  -6.350  -5.085  -4.399
   64    H    SER   7           HN       SER   7  -5.224  -3.365   1.426
   65    HA   SER   7           HA       SER   7  -7.810  -4.376   2.117
   66    HB2  SER   7           HB2      SER   7  -5.486  -5.034   3.905
   67    HB3  SER   7           HB1      SER   7  -7.136  -4.943   4.514
   68    HG   SER   7           HG       SER   7  -6.874  -6.463   2.259
   69    H    DTH   8           HN       DTC   8  -8.705  -3.277   4.099
   70    HA   DTH   8           HA       DTC   8  -7.814  -0.483   4.012
   71    HB   DTH   8           HB       DTC   8  -8.049  -0.192   6.457
   72   HG21  DTH   8          HG21      DTC   8  -5.857  -0.679   5.458
   73   HG22  DTH   8          HG22      DTC   8  -6.157  -2.411   5.612
   74   HG23  DTH   8          HG23      DTC   8  -5.999  -1.409   7.056
   75    H    ALA   9           HN       ALA   9 -10.229  -2.828   3.995
   76    HA   ALA   9           HA       ALA   9 -12.365  -0.865   4.291
   77    HB1  ALA   9           HB1      ALA   9 -12.639  -3.791   3.625
   78    HB2  ALA   9           HB2      ALA   9 -12.367  -2.533   2.419
   79    HB3  ALA   9           HB3      ALA   9 -13.833  -2.514   3.399
   80    H    LEU  10           HN       LEU  10 -11.797  -4.195   5.545
   81    HA   LEU  10           HA       LEU  10 -13.534  -3.703   7.789
   82    HB2  LEU  10           HB2      LEU  10 -11.506  -5.925   7.528
   83    HB3  LEU  10           HB1      LEU  10 -12.852  -5.855   8.642
   84    HG   LEU  10           HG       LEU  10 -14.416  -6.371   7.022
   85   HD11  LEU  10          HD11      LEU  10 -13.372  -4.596   5.457
   86   HD12  LEU  10          HD12      LEU  10 -14.319  -5.921   4.782
   87   HD13  LEU  10          HD13      LEU  10 -12.558  -5.980   4.730
   88   HD21  LEU  10          HD21      LEU  10 -13.577  -8.432   7.087
   89   HD22  LEU  10          HD22      LEU  10 -11.931  -7.865   6.856
   90   HD23  LEU  10          HD23      LEU  10 -12.990  -8.076   5.462
   91    H    ILE  11           HN       ILE  11 -10.075  -3.921   7.227
   92    HA   ILE  11           HA       ILE  11  -9.723  -2.546   9.844
   93    HB   ILE  11           HB       ILE  11  -7.626  -4.390   8.697
   94   HG12  ILE  11          HG12      ILE  11  -9.632  -5.064  10.863
   95   HG13  ILE  11          HG11      ILE  11  -9.751  -5.639   9.203
   96   HG21  ILE  11          HG21      ILE  11  -8.085  -3.279  11.464
   97   HG22  ILE  11          HG22      ILE  11  -6.895  -2.688  10.304
   98   HG23  ILE  11          HG23      ILE  11  -6.744  -4.313  10.974
   99   HD11  ILE  11          HD11      ILE  11  -7.490  -6.227  11.102
  100   HD12  ILE  11          HD12      ILE  11  -7.656  -6.841   9.457
  101   HD13  ILE  11          HD13      ILE  11  -8.812  -7.322  10.698
  102    H    ZAE   1           HN1      DPH   1  -9.918   4.334   2.355
  103    HA   ZAE   1           HA       DPH   1  -8.976   3.695   0.347
  104    HB2  ZAE   1           HB1      DPH   1 -11.506   2.261   1.060
  105    HB3  ZAE   1           HB2      DPH   1 -11.267   3.639  -0.009
  106    HD1  ZAE   1           HD1      DPH   1 -10.136   3.238  -2.245
  107    HD2  ZAE   1           HD2      DPH   1 -11.564   0.084   0.225
  108    HE1  ZAE   1           HE1      DPH   1 -10.143   1.734  -4.190
  109    HE2  ZAE   1           HE2      DPH   1 -11.558  -1.439  -1.718
  110    HZ   ZAE   1           HZ       DPH   1 -10.851  -0.609  -3.935
  111    H11  ZAE   1          HN11      DPH   1 -10.307   1.478   2.880
  112    H12  ZAE   1          HN12      DPH   1 -11.516   2.764   2.823
  113    H13  ZAE   1          HN13      DPH   1 -10.358   2.705   4.150
  114    HN2  ZAE   1           HN2      DPH   1  -8.613   3.330   2.749
  115    H    ILE   2           HN       ILE   2  -7.525   2.501  -0.609
  116    HA   ILE   2           HA       ILE   2  -7.332  -0.300   0.198
  117    HB   ILE   2           HB       ILE   2  -7.560   0.592  -2.313
  118   HG12  ILE   2          HG12      ILE   2  -6.472  -1.512  -3.036
  119   HG13  ILE   2          HG11      ILE   2  -5.843  -1.708  -1.404
  120   HG21  ILE   2          HG21      ILE   2  -5.404   0.639  -3.450
  121   HG22  ILE   2          HG22      ILE   2  -4.574   0.480  -1.903
  122   HG23  ILE   2          HG23      ILE   2  -5.513   1.929  -2.253
  123   HD11  ILE   2          HD11      ILE   2  -8.774  -1.394  -1.875
  124   HD12  ILE   2          HD12      ILE   2  -7.938  -2.155  -0.518
  125   HD13  ILE   2          HD13      ILE   2  -7.981  -2.951  -2.092
  126    H    SER   3           HN       SER   3  -5.522  -1.134   0.985
  127    HA   SER   3           HA       SER   3  -3.100   0.440   1.102
  128    HB2  SER   3           HB2      SER   3  -4.425  -0.557   3.612
  129    HB3  SER   3           HB1      SER   3  -2.830   0.185   3.507
  130    HG   SER   3           HG       SER   3  -4.772   1.701   2.357
  131    H    DAR   4           HN       DAR   4  -1.321  -0.708   1.534
  132    HA   DAR   4           HA       DAR   4  -1.637  -3.607   1.237
  133    HB2  DAR   4           HB1      DAR   4   0.548  -2.378   2.902
  134    HB3  DAR   4           HB2      DAR   4   0.069  -4.065   2.818
  135    HG2  DAR   4           HG1      DAR   4  -1.985  -2.176   3.791
  136    HG3  DAR   4           HG2      DAR   4  -0.589  -2.442   4.838
  137    HD2  DAR   4           HD1      DAR   4  -2.395  -3.988   5.363
  138    HD3  DAR   4           HD2      DAR   4  -0.967  -4.837   4.779
  139    HE   DAR   4           HE       DAR   4  -2.949  -4.271   2.757
  140   HH11  DAR   4          HH21      DAR   4  -3.760  -7.702   2.542
  141   HH12  DAR   4          HH22      DAR   4  -3.986  -6.085   1.784
  142   HH21  DAR   4          HH11      DAR   4  -2.479  -7.915   4.442
  143   HH22  DAR   4          HH12      DAR   4  -1.674  -6.469   5.145
  144    HA   28J   5           HA       28J   5   1.933  -2.856  -1.219
  145    H22  28J   5           HB       28J   5   1.048  -3.642  -3.638
  146    H23  28J   5          HG21      28J   5  -1.445  -3.101  -2.045
  147    H24  28J   5          HG22      28J   5  -1.029  -4.582  -2.906
  148    H25  28J   5          HG23      28J   5  -1.365  -3.103  -3.805
  149    H26  28J   5          HG11      28J   5   1.603  -1.279  -2.574
  150    H27  28J   5          HG12      28J   5  -0.148  -1.107  -2.588
  151    H28  28J   5          HD11      28J   5  -0.181  -1.478  -4.997
  152    H29  28J   5          HD12      28J   5   1.572  -1.670  -4.996
  153    H30  28J   5          HD13      28J   5   0.855  -0.117  -4.569
  154    H    ILE   6           HN       ILE   6   3.561  -4.020  -2.181
  155    HA   ILE   6           HA       ILE   6   3.214  -6.940  -2.076
  156    HB   ILE   6           HB       ILE   6   4.625  -6.858  -4.304
  157   HG12  ILE   6          HG12      ILE   6   2.914  -4.395  -4.601
  158   HG13  ILE   6          HG11      ILE   6   4.663  -4.385  -4.411
  159   HG21  ILE   6          HG21      ILE   6   2.562  -7.156  -5.629
  160   HG22  ILE   6          HG22      ILE   6   1.619  -6.663  -4.229
  161   HG23  ILE   6          HG23      ILE   6   2.597  -8.127  -4.158
  162   HD11  ILE   6          HD11      ILE   6   4.219  -4.127  -6.702
  163   HD12  ILE   6          HD12      ILE   6   3.050  -5.449  -6.689
  164   HD13  ILE   6          HD13      ILE   6   4.765  -5.787  -6.477
  165    H    SER   7           HN       SER   7   4.712  -7.850  -0.831
  166    HA   SER   7           HA       SER   7   7.476  -7.083  -1.073
  167    HB2  SER   7           HB2      SER   7   6.087  -6.541   1.540
  168    HB3  SER   7           HB1      SER   7   7.765  -6.202   1.133
  169    HG   SER   7           HG       SER   7   6.210  -5.013  -0.647
  170    H    DTH   8           HN       DTC   8   8.914  -8.390   0.024
  171    HA   DTH   8           HA       DTC   8   7.923 -10.980   0.907
  172    HB   DTH   8           HB       DTC   8   9.211 -11.076   3.000
  173   HG21  DTH   8          HG21      DTC   8   6.892 -10.249   3.112
  174   HG22  DTH   8          HG22      DTC   8   7.453  -8.592   2.889
  175   HG23  DTH   8          HG23      DTC   8   7.901  -9.491   4.339
  176    H    ALA   9           HN       ALA   9  10.721  -9.582  -0.710
  177    HA   ALA   9           HA       ALA   9  12.376 -11.862  -0.137
  178    HB1  ALA   9           HB1      ALA   9  12.083 -10.740  -2.385
  179    HB2  ALA   9           HB2      ALA   9  13.742 -11.036  -1.868
  180    HB3  ALA   9           HB3      ALA   9  13.051  -9.422  -1.728
  181    H    LEU  10           HN       LEU  10  12.696  -8.470  -0.178
  182    HA   LEU  10           HA       LEU  10  15.089  -8.342   1.342
  183    HB2  LEU  10           HB2      LEU  10  13.011  -6.236   0.731
  184    HB3  LEU  10           HB1      LEU  10  14.485  -5.902   1.615
  185    HG   LEU  10           HG       LEU  10  15.183  -5.256  -0.443
  186   HD11  LEU  10          HD11      LEU  10  15.578  -8.173  -0.927
  187   HD12  LEU  10          HD12      LEU  10  16.441  -7.310   0.344
  188   HD13  LEU  10          HD13      LEU  10  16.636  -6.825  -1.339
  189   HD21  LEU  10          HD21      LEU  10  13.555  -7.404  -1.796
  190   HD22  LEU  10          HD22      LEU  10  14.415  -6.074  -2.571
  191   HD23  LEU  10          HD23      LEU  10  13.011  -5.745  -1.555
  192    H    ILE  11           HN       ILE  11  11.724  -8.445   2.145
  193    HA   ILE  11           HA       ILE  11  12.358  -8.656   4.965
  194    HB   ILE  11           HB       ILE  11  10.519  -6.384   4.119
  195   HG12  ILE  11          HG12      ILE  11  13.238  -6.216   5.463
  196   HG13  ILE  11          HG11      ILE  11  12.906  -5.754   3.797
  197   HG21  ILE  11          HG21      ILE  11  11.469  -7.258   6.838
  198   HG22  ILE  11          HG22      ILE  11   9.868  -7.562   6.164
  199   HG23  ILE  11          HG23      ILE  11  10.387  -5.909   6.498
  200   HD11  ILE  11          HD11      ILE  11  11.804  -4.445   6.279
  201   HD12  ILE  11          HD12      ILE  11  11.382  -3.996   4.627
  202   HD13  ILE  11          HD13      ILE  11  13.038  -3.794   5.201
  203    H    ZAE   1           HN1      DPH   1   8.550  -4.824   1.458
  204    HA   ZAE   1           HA       DPH   1   8.285  -4.137  -0.621
  205    HB2  ZAE   1           HB1      DPH   1  10.545  -2.463   0.450
  206    HB3  ZAE   1           HB2      DPH   1  10.629  -3.966  -0.457
  207    HD1  ZAE   1           HD1      DPH   1   9.668  -3.850  -2.897
  208    HD2  ZAE   1           HD2      DPH   1  10.932  -0.471  -0.638
  209    HE1  ZAE   1           HE1      DPH   1  10.040  -2.600  -4.986
  210    HE2  ZAE   1           HE2      DPH   1  11.279   0.799  -2.727
  211    HZ   ZAE   1           HZ       DPH   1  10.840  -0.273  -4.908
  212    H11  ZAE   1          HN11      DPH   1   9.748  -2.234   2.168
  213    H12  ZAE   1          HN12      DPH   1  10.605  -3.744   1.853
  214    H13  ZAE   1          HN13      DPH   1   9.556  -3.608   3.259
  215    HN2  ZAE   1           HN2      DPH   1   7.648  -3.440   1.833
  216    H    ILE   2           HN       ILE   2   6.586  -3.177  -1.425
  217    HA   ILE   2           HA       ILE   2   6.357  -0.296  -1.005
  218    HB   ILE   2           HB       ILE   2   6.251  -1.751  -3.362
  219   HG12  ILE   2          HG12      ILE   2   5.611   0.391  -4.368
  220   HG13  ILE   2          HG11      ILE   2   5.157   0.991  -2.780
  221   HG21  ILE   2          HG21      ILE   2   3.874  -1.151  -4.145
  222   HG22  ILE   2          HG22      ILE   2   3.474  -1.120  -2.427
  223   HG23  ILE   2          HG23      ILE   2   4.090  -2.597  -3.160
  224   HD11  ILE   2          HD11      ILE   2   7.363   1.786  -3.511
  225   HD12  ILE   2          HD12      ILE   2   7.932   0.115  -3.549
  226   HD13  ILE   2          HD13      ILE   2   7.433   0.845  -2.023
  227    H    SER   3           HN       SER   3   4.818   0.519   0.120
  228    HA   SER   3           HA       SER   3   2.351  -0.970   0.564
  229    HB2  SER   3           HB2      SER   3   3.930   0.240   2.818
  230    HB3  SER   3           HB1      SER   3   2.379  -0.591   2.940
  231    HG   SER   3           HG       SER   3   4.870  -1.701   2.193
  232    H    DAR   4           HN       DAR   4   0.774   0.332   1.658
  233    HA   DAR   4           HA       DAR   4   0.997   3.120   0.780
  234    HB2  DAR   4           HB1      DAR   4  -0.260   2.128   3.341
  235    HB3  DAR   4           HB2      DAR   4  -0.396   3.770   2.735
  236    HG2  DAR   4           HG1      DAR   4   2.358   2.779   3.035
  237    HG3  DAR   4           HG2      DAR   4   1.442   2.939   4.532
  238    HD2  DAR   4           HD1      DAR   4   2.371   5.029   4.374
  239    HD3  DAR   4           HD2      DAR   4   0.823   5.291   3.571
  240    HE   DAR   4           HE       DAR   4   2.681   4.522   1.638
  241   HH11  DAR   4          HH21      DAR   4   3.759   7.736   0.719
  242   HH12  DAR   4          HH22      DAR   4   3.725   5.994   0.265
  243   HH21  DAR   4          HH11      DAR   4   2.839   8.429   2.687
  244   HH22  DAR   4          HH12      DAR   4   2.050   7.241   3.789
  245    HA   28J   5           HA       28J   5  -3.194   2.317  -0.258
  246    H22  28J   5           HB       28J   5  -3.258   2.235  -2.805
  247    H23  28J   5          HG21      28J   5  -0.279   2.564  -2.481
  248    H24  28J   5          HG22      28J   5  -1.374   3.703  -3.266
  249    H25  28J   5          HG23      28J   5  -1.109   2.106  -3.967
  250    H26  28J   5          HG11      28J   5  -2.806   0.291  -1.172
  251    H27  28J   5          HG12      28J   5  -1.123   0.442  -1.660
  252    H28  28J   5          HD11      28J   5  -3.394  -0.068  -3.569
  253    H29  28J   5          HD12      28J   5  -2.360  -1.318  -2.878
  254    H30  28J   5          HD13      28J   5  -1.669  -0.086  -3.933
  255    H    ILE   6           HN       ILE   6  -4.972   3.410  -1.271
  256    HA   ILE   6           HA       ILE   6  -4.447   6.282  -1.622
  257    HB   ILE   6           HB       ILE   6  -6.056   6.151  -3.627
  258   HG12  ILE   6          HG12      ILE   6  -4.972   3.347  -3.775
  259   HG13  ILE   6          HG11      ILE   6  -6.618   3.741  -3.302
  260   HG21  ILE   6          HG21      ILE   6  -3.219   5.181  -3.931
  261   HG22  ILE   6          HG22      ILE   6  -3.740   6.863  -3.839
  262   HG23  ILE   6          HG23      ILE   6  -4.215   5.865  -5.215
  263   HD11  ILE   6          HD11      ILE   6  -5.319   4.184  -5.970
  264   HD12  ILE   6          HD12      ILE   6  -6.911   4.804  -5.525
  265   HD13  ILE   6          HD13      ILE   6  -6.619   3.067  -5.560
  266    H    SER   7           HN       SER   7  -5.767   7.535  -0.486
  267    HA   SER   7           HA       SER   7  -8.584   6.958  -0.204
  268    HB2  SER   7           HB2      SER   7  -6.824   6.815   2.250
  269    HB3  SER   7           HB1      SER   7  -8.574   6.606   2.194
  270    HG   SER   7           HG       SER   7  -7.544   4.910   0.475
  271    H    DTH   8           HN       DTC   8  -9.728   8.578   1.063
  272    HA   DTH   8           HA       DTC   8  -8.529  11.206   1.203
  273    HB   DTH   8           HB       DTC   8  -9.004  11.671   3.577
  274   HG21  DTH   8          HG21      DTC   8  -6.781  10.727   3.084
  275   HG22  DTH   8          HG22      DTC   8  -7.412   9.095   3.320
  276   HG23  DTH   8          HG23      DTC   8  -7.360  10.229   4.671
  277    H    ALA   9           HN       ALA   9 -11.083   9.350   0.443
  278    HA   ALA   9           HA       ALA   9 -13.016  11.192   0.379
  279    HB1  ALA   9           HB1      ALA   9 -13.235   8.200   0.281
  280    HB2  ALA   9           HB2      ALA   9 -12.971   9.257  -1.101
  281    HB3  ALA   9           HB3      ALA   9 -14.503   9.311  -0.230
  282    H    LEU  10           HN       LEU  10 -13.482   8.295   1.946
  283    HA   LEU  10           HA       LEU  10 -15.070   9.054   4.070
  284    HB2  LEU  10           HB2      LEU  10 -13.186   6.680   3.896
  285    HB3  LEU  10           HB1      LEU  10 -14.455   6.868   5.086
  286    HG   LEU  10           HG       LEU  10 -16.170   6.661   3.416
  287   HD11  LEU  10          HD11      LEU  10 -15.095   7.927   1.686
  288   HD12  LEU  10          HD12      LEU  10 -15.581   6.351   1.059
  289   HD13  LEU  10          HD13      LEU  10 -13.893   6.658   1.466
  290   HD21  LEU  10          HD21      LEU  10 -14.750   4.573   4.202
  291   HD22  LEU  10          HD22      LEU  10 -14.291   4.533   2.500
  292   HD23  LEU  10          HD23      LEU  10 -15.986   4.430   2.962
  293    H    ILE  11           HN       ILE  11 -11.612   8.151   4.242
  294    HA   ILE  11           HA       ILE  11 -11.445   9.719   6.769
  295    HB   ILE  11           HB       ILE  11  -9.600   7.382   6.195
  296   HG12  ILE  11          HG12      ILE  11 -12.025   7.274   8.012
  297   HG13  ILE  11          HG11      ILE  11 -11.992   6.568   6.402
  298   HG21  ILE  11          HG21      ILE  11  -9.056   7.535   8.525
  299   HG22  ILE  11          HG22      ILE  11 -10.313   8.744   8.785
  300   HG23  ILE  11          HG23      ILE  11  -8.903   9.135   7.802
  301   HD11  ILE  11          HD11      ILE  11 -11.606   4.804   7.928
  302   HD12  ILE  11          HD12      ILE  11 -10.409   5.738   8.823
  303   HD13  ILE  11          HD13      ILE  11 -10.043   5.164   7.197
  304    H    ZAE   1           HN1      DPH   1  -9.706  15.638  -1.327
  305    HA   ZAE   1           HA       DPH   1  -8.799  14.497  -3.160
  306    HB2  ZAE   1           HB1      DPH   1 -11.222  12.953  -2.212
  307    HB3  ZAE   1           HB2      DPH   1 -11.267  14.503  -3.045
  308    HD1  ZAE   1           HD1      DPH   1  -9.427  14.270  -5.221
  309    HD2  ZAE   1           HD2      DPH   1 -12.030  11.302  -3.603
  310    HE1  ZAE   1           HE1      DPH   1  -9.464  13.114  -7.400
  311    HE2  ZAE   1           HE2      DPH   1 -12.070  10.148  -5.776
  312    HZ   ZAE   1           HZ       DPH   1 -10.787  11.051  -7.679
  313    H11  ZAE   1          HN11      DPH   1  -9.961  13.011  -0.029
  314    H12  ZAE   1          HN12      DPH   1 -11.256  14.134  -0.452
  315    H13  ZAE   1          HN13      DPH   1 -10.104  14.555   0.817
  316    HN2  ZAE   1           HN2      DPH   1  -8.371  14.766  -0.762
  317    H    ILE   2           HN       ILE   2  -7.114  13.250  -3.483
  318    HA   ILE   2           HA       ILE   2  -7.157  10.524  -2.405
  319    HB   ILE   2           HB       ILE   2  -6.159  11.714  -4.944
  320   HG12  ILE   2          HG12      ILE   2  -8.071  10.267  -5.034
  321   HG13  ILE   2          HG11      ILE   2  -6.721   9.438  -5.805
  322   HG21  ILE   2          HG21      ILE   2  -4.027  11.075  -4.021
  323   HG22  ILE   2          HG22      ILE   2  -4.476   9.946  -5.300
  324   HG23  ILE   2          HG23      ILE   2  -4.644   9.475  -3.610
  325   HD11  ILE   2          HD11      ILE   2  -7.966   8.890  -3.137
  326   HD12  ILE   2          HD12      ILE   2  -6.364   8.282  -3.561
  327   HD13  ILE   2          HD13      ILE   2  -7.770   7.811  -4.516
  328    H    SER   3           HN       SER   3  -5.570   9.856  -1.040
  329    HA   SER   3           HA       SER   3  -3.128  11.411  -0.752
  330    HB2  SER   3           HB2      SER   3  -4.916  10.820   1.596
  331    HB3  SER   3           HB1      SER   3  -3.304  11.526   1.682
  332    HG   SER   3           HG       SER   3  -4.774  12.943  -0.029
  333    H    DAR   4           HN       DAR   4  -1.469  10.333   0.400
  334    HA   DAR   4           HA       DAR   4  -1.824   7.425   0.305
  335    HB2  DAR   4           HB1      DAR   4  -0.404   9.087   2.371
  336    HB3  DAR   4           HB2      DAR   4  -0.169   7.350   2.211
  337    HG2  DAR   4           HG1      DAR   4  -2.962   8.309   2.408
  338    HG3  DAR   4           HG2      DAR   4  -1.967   8.433   3.861
  339    HD2  DAR   4           HD1      DAR   4  -2.315   6.278   4.252
  340    HD3  DAR   4           HD2      DAR   4  -1.473   5.890   2.753
  341    HE   DAR   4           HE       DAR   4  -4.084   6.570   2.086
  342   HH11  DAR   4          HH21      DAR   4  -5.517   3.368   2.464
  343   HH12  DAR   4          HH22      DAR   4  -5.742   5.012   1.769
  344   HH21  DAR   4          HH11      DAR   4  -3.600   2.858   3.627
  345   HH22  DAR   4          HH12      DAR   4  -2.307   4.096   3.812
  346    HA   28J   5           HA       28J   5   2.085   7.680  -1.586
  347    H22  28J   5           HB       28J   5   1.759   6.588  -3.985
  348    H23  28J   5          HG21      28J   5  -1.064   7.293  -3.186
  349    H24  28J   5          HG22      28J   5  -0.455   5.667  -3.488
  350    H25  28J   5          HG23      28J   5  -0.530   6.839  -4.804
  351    H26  28J   5          HG11      28J   5   2.147   9.037  -3.403
  352    H27  28J   5          HG12      28J   5   0.397   9.223  -3.359
  353    H28  28J   5          HD11      28J   5   1.362   9.960  -5.483
  354    H29  28J   5          HD12      28J   5   0.238   8.618  -5.693
  355    H30  28J   5          HD13      28J   5   1.976   8.330  -5.763
  356    H    ILE   6           HN       ILE   6   3.599   6.178  -2.500
  357    HA   ILE   6           HA       ILE   6   3.235   3.415  -1.555
  358    HB   ILE   6           HB       ILE   6   5.334   3.204  -3.163
  359   HG12  ILE   6          HG12      ILE   6   3.922   5.667  -4.156
  360   HG13  ILE   6          HG11      ILE   6   5.632   5.469  -3.759
  361   HG21  ILE   6          HG21      ILE   6   3.906   2.510  -4.999
  362   HG22  ILE   6          HG22      ILE   6   2.531   3.354  -4.285
  363   HG23  ILE   6          HG23      ILE   6   3.239   1.965  -3.460
  364   HD11  ILE   6          HD11      ILE   6   5.533   5.419  -6.055
  365   HD12  ILE   6          HD12      ILE   6   4.114   4.371  -6.050
  366   HD13  ILE   6          HD13      ILE   6   5.679   3.740  -5.557
  367    H    SER   7           HN       SER   7   4.394   2.937   0.374
  368    HA   SER   7           HA       SER   7   7.165   3.768   0.473
  369    HB2  SER   7           HB2      SER   7   5.210   4.851   2.468
  370    HB3  SER   7           HB1      SER   7   6.901   4.628   2.883
  371    HG   SER   7           HG       SER   7   6.577   5.938   0.534
  372    H    DTH   8           HN       DTC   8   8.389   2.743   2.211
  373    HA   DTH   8           HA       DTC   8   7.227   0.092   2.621
  374    HB   DTH   8           HB       DTC   8   7.972  -0.094   4.956
  375   HG21  DTH   8          HG21      DTC   8   6.292   1.489   5.879
  376   HG22  DTH   8          HG22      DTC   8   5.699   0.629   4.458
  377   HG23  DTH   8          HG23      DTC   8   6.228   2.307   4.319
  378    H    ALA   9           HN       ALA   9   9.863   1.859   1.592
  379    HA   ALA   9           HA       ALA   9  11.662  -0.374   1.640
  380    HB1  ALA   9           HB1      ALA   9  13.197   1.129   0.488
  381    HB2  ALA   9           HB2      ALA   9  12.159   2.505   0.863
  382    HB3  ALA   9           HB3      ALA   9  11.591   1.242  -0.226
  383    H    LEU  10           HN       LEU  10  11.753   2.912   2.879
  384    HA   LEU  10           HA       LEU  10  13.957   2.366   4.641
  385    HB2  LEU  10           HB2      LEU  10  12.207   4.822   4.422
  386    HB3  LEU  10           HB1      LEU  10  13.736   4.712   5.265
  387    HG   LEU  10           HG       LEU  10  14.966   4.536   3.229
  388   HD11  LEU  10          HD11      LEU  10  13.900   4.508   1.041
  389   HD12  LEU  10          HD12      LEU  10  12.333   4.319   1.822
  390   HD13  LEU  10          HD13      LEU  10  13.555   3.059   1.985
  391   HD21  LEU  10          HD21      LEU  10  14.713   6.769   3.472
  392   HD22  LEU  10          HD22      LEU  10  12.959   6.696   3.351
  393   HD23  LEU  10          HD23      LEU  10  13.946   6.558   1.897
  394    H    ILE  11           HN       ILE  11  10.610   3.456   5.065
  395    HA   ILE  11           HA       ILE  11  10.599   2.275   7.768
  396    HB   ILE  11           HB       ILE  11   8.612   4.302   6.728
  397   HG12  ILE  11          HG12      ILE  11  11.001   4.946   8.455
  398   HG13  ILE  11          HG11      ILE  11  11.035   5.112   6.704
  399   HG21  ILE  11          HG21      ILE  11   8.151   4.685   9.089
  400   HG22  ILE  11          HG22      ILE  11   9.389   3.511   9.536
  401   HG23  ILE  11          HG23      ILE  11   7.938   2.981   8.685
  402   HD11  ILE  11          HD11      ILE  11  10.597   7.250   7.650
  403   HD12  ILE  11          HD12      ILE  11   9.294   6.605   8.647
  404   HD13  ILE  11          HD13      ILE  11   9.109   6.681   6.895
  405    H1   ALA   1           HN       ALA   1 -11.326 -12.663   3.260
  406    HA   ALA   1           HA       ALA   1 -13.698 -14.035   2.792
  407    HB1  ALA   1           HB1      ALA   1 -14.659 -11.730   2.839
  408    HB2  ALA   1           HB2      ALA   1 -14.962 -12.617   1.340
  409    HB3  ALA   1           HB3      ALA   1 -13.712 -11.371   1.397
  410    H    DGL   2           HN       DGL   2 -13.938 -12.885  -0.111
  411    HA   DGL   2           HA       DGL   2 -12.777 -12.831  -1.989
  412    HB2  DGL   2           HB1      DGL   2 -11.258 -15.192  -2.166
  413    HB3  DGL   2           HB2      DGL   2 -13.006 -15.238  -2.379
  414    HG2  DGL   2           HG1      DGL   2 -13.197 -16.683  -0.624
  415    HG3  DGL   2           HG2      DGL   2 -12.465 -15.548   0.487
  416    H    LYS   3           HN       LYS   3 -10.047 -15.499   0.381
  417    HA   LYS   3           HA       LYS   3  -8.150 -16.435   0.876
  418    HB2  LYS   3           HB2      LYS   3  -9.828 -18.129   1.888
  419    HB3  LYS   3           HB1      LYS   3  -9.115 -19.245   0.709
  420    HG2  LYS   3           HG2      LYS   3  -7.158 -17.544   2.095
  421    HG3  LYS   3           HG1      LYS   3  -8.067 -18.574   3.179
  422    HD2  LYS   3           HD2      LYS   3  -6.600 -20.254   2.830
  423    HD3  LYS   3           HD1      LYS   3  -7.340 -20.341   1.271
  424    HE2  LYS   3           HE2      LYS   3  -4.698 -19.145   1.944
  425    HE3  LYS   3           HE1      LYS   3  -5.314 -20.345   0.561
  426    HZ1  LYS   3           HZ1      LYS   3  -4.179 -18.599  -0.532
  427    HZ2  LYS   3           HZ2      LYS   3  -4.992 -17.502   0.445
  428    HZ3  LYS   3           HZ3      LYS   3  -5.839 -18.383  -0.696
  429    H    DAL   4           HN       DAL   4  -8.518 -15.450  -1.381
  430    HA   DAL   4           HA       DAL   4  -7.309 -14.808  -3.513
  431    HB1  DAL   4           HB1      DAL   4  -7.907 -17.389  -4.612
  432    HB2  DAL   4           HB2      DAL   4  -7.415 -15.918  -5.430
  433    HB3  DAL   4           HB3      DAL   4  -9.007 -16.001  -4.671
  434    H    DAL   5           HN       DAL   5  -5.579 -14.141  -1.985
  435    HA   DAL   5           HA       DAL   5  -3.055 -13.830  -1.173
  436    HB1  DAL   5           HB1      DAL   5  -2.777 -14.324  -3.625
  437    HB2  DAL   5           HB2      DAL   5  -3.534 -15.895  -3.397
  438    HB3  DAL   5           HB3      DAL   5  -1.886 -15.626  -2.831
  439    H1   ALA   1           HN       ALA   1  16.030 -12.877  -5.899
  440    HA   ALA   1           HA       ALA   1  17.397 -15.175  -5.142
  441    HB1  ALA   1           HB1      ALA   1  16.037 -15.039  -3.096
  442    HB2  ALA   1           HB2      ALA   1  15.703 -16.507  -4.021
  443    HB3  ALA   1           HB3      ALA   1  14.579 -15.147  -4.079
  444    H    DGL   2           HN       DGL   2  17.125 -16.884  -6.606
  445    HA   DGL   2           HA       DGL   2  15.926 -18.205  -7.957
  446    HB2  DGL   2           HB1      DGL   2  15.070 -16.644 -10.102
  447    HB3  DGL   2           HB2      DGL   2  16.793 -16.935  -9.884
  448    HG2  DGL   2           HG1      DGL   2  17.226 -14.712  -9.535
  449    HG3  DGL   2           HG2      DGL   2  15.901 -14.488  -8.419
  450    H    LYS   3           HN       LYS   3  13.712 -14.876  -9.850
  451    HA   LYS   3           HA       LYS   3  12.234 -13.866 -11.083
  452    HB2  LYS   3           HB2      LYS   3  13.679 -11.874 -10.282
  453    HB3  LYS   3           HB1      LYS   3  14.031 -11.679 -12.008
  454    HG2  LYS   3           HG2      LYS   3  11.282 -11.893 -10.761
  455    HG3  LYS   3           HG1      LYS   3  12.037 -10.405 -11.289
  456    HD2  LYS   3           HD2      LYS   3  11.809 -10.847 -13.619
  457    HD3  LYS   3           HD1      LYS   3  11.600 -12.530 -13.286
  458    HE2  LYS   3           HE1      LYS   3   9.411 -11.112 -12.079
  459    HE3  LYS   3           HE2      LYS   3   9.674 -10.881 -13.977
  460    HZ1  LYS   3           HZ1      LYS   3   7.739 -12.216 -13.689
  461    HZ2  LYS   3           HZ2      LYS   3   8.585 -13.228 -12.588
  462    HZ3  LYS   3           HZ3      LYS   3   9.030 -13.151 -14.217
  463    H    DAL   4           HN       DAL   4  11.704 -15.330 -12.204
  464    HA   DAL   4           HA       DAL   4  11.970 -17.039 -14.380
  465    HB1  DAL   4           HB1      DAL   4  12.555 -14.830 -16.088
  466    HB2  DAL   4           HB2      DAL   4  12.315 -16.521 -16.487
  467    HB3  DAL   4           HB3      DAL   4  13.742 -16.038 -15.568
  468    H    DAL   5           HN       DAL   5  10.135 -17.193 -12.650
  469    HA   DAL   5           HA       DAL   5   7.622 -17.417 -11.945
  470    HB1  DAL   5           HB1      DAL   5   7.539 -18.232 -14.302
  471    HB2  DAL   5           HB2      DAL   5   8.198 -16.719 -14.901
  472    HB3  DAL   5           HB3      DAL   5   6.506 -16.808 -14.415
  473    H1   ALA   1           HN       ALA   1 -18.154   4.357  -2.186
  474    HA   ALA   1           HA       ALA   1 -20.132   6.307  -2.327
  475    HB1  ALA   1           HB1      ALA   1 -18.476   7.611  -0.985
  476    HB2  ALA   1           HB2      ALA   1 -18.950   8.376  -2.507
  477    HB3  ALA   1           HB3      ALA   1 -17.394   7.549  -2.375
  478    H    DGL   2           HN       DGL   2 -18.750   8.150  -4.256
  479    HA   DGL   2           HA       DGL   2 -17.692   8.133  -6.209
  480    HB2  DGL   2           HB1      DGL   2 -18.975   6.500  -7.970
  481    HB3  DGL   2           HB2      DGL   2 -19.954   7.753  -7.212
  482    HG2  DGL   2           HG1      DGL   2 -21.301   6.223  -6.149
  483    HG3  DGL   2           HG2      DGL   2 -19.994   5.156  -5.696
  484    H    LYS   3           HN       LYS   3 -18.986   4.506  -8.169
  485    HA   LYS   3           HA       LYS   3 -19.125   3.115  -9.829
  486    HB2  LYS   3           HB2      LYS   3 -20.362   1.937  -7.781
  487    HB3  LYS   3           HB1      LYS   3 -21.607   1.753  -9.030
  488    HG2  LYS   3           HG2      LYS   3 -18.710   1.182  -9.613
  489    HG3  LYS   3           HG1      LYS   3 -19.703  -0.018  -8.819
  490    HD2  LYS   3           HD2      LYS   3 -20.231  -0.860 -10.853
  491    HD3  LYS   3           HD1      LYS   3 -21.262   0.526 -10.916
  492    HE2  LYS   3           HE1      LYS   3 -18.511   0.929 -11.940
  493    HE3  LYS   3           HE2      LYS   3 -19.912   0.016 -12.907
  494    HZ1  LYS   3           HZ1      LYS   3 -20.728   2.609 -12.682
  495    HZ2  LYS   3           HZ2      LYS   3 -20.198   1.697 -13.979
  496    HZ3  LYS   3           HZ3      LYS   3 -19.118   2.676 -13.158
  497    H    DAL   4           HN       DAL   4 -20.119   5.622  -9.986
  498    HA   DAL   4           HA       DAL   4 -20.813   7.357 -11.714
  499    HB1  DAL   4           HB1      DAL   4 -23.386   6.153 -11.916
  500    HB2  DAL   4           HB2      DAL   4 -22.852   7.745 -12.425
  501    HB3  DAL   4           HB3      DAL   4 -22.936   7.364 -10.704
  502    H    DAL   5           HN       DAL   5 -18.700   6.726 -12.676
  503    HA   DAL   5           HA       DAL   5 -17.032   6.140 -14.609
  504    HB1  DAL   5           HB1      DAL   5 -18.886   7.269 -15.865
  505    HB2  DAL   5           HB2      DAL   5 -20.043   6.061 -15.327
  506    HB3  DAL   5           HB3      DAL   5 -18.887   5.664 -16.598
  507    H1   ALA   1           HN       ALA   1  13.734  11.671   1.568
  508    HA   ALA   1           HA       ALA   1  16.408  12.227   2.166
  509    HB1  ALA   1           HB1      ALA   1  16.142   9.788   0.414
  510    HB2  ALA   1           HB2      ALA   1  16.689   9.780   2.095
  511    HB3  ALA   1           HB3      ALA   1  17.626  10.623   0.862
  512    H    DGL   2           HN       DGL   2  14.610  10.820  -0.591
  513    HA   DGL   2           HA       DGL   2  13.671  12.459  -2.055
  514    HB2  DGL   2           HB1      DGL   2  15.475  10.438  -2.816
  515    HB3  DGL   2           HB2      DGL   2  16.300  11.791  -3.599
  516    HG2  DGL   2           HG1      DGL   2  14.784  11.863  -5.350
  517    HG3  DGL   2           HG2      DGL   2  13.401  11.438  -4.377
  518    H    LYS   3           HN       LYS   3  12.754   9.327  -4.317
  519    HA   LYS   3           HA       LYS   3  12.416   7.266  -4.912
  520    HB2  LYS   3           HB2      LYS   3  12.217   8.157  -7.084
  521    HB3  LYS   3           HB1      LYS   3  13.960   8.032  -7.381
  522    HG2  LYS   3           HG2      LYS   3  13.043   5.497  -6.449
  523    HG3  LYS   3           HG1      LYS   3  11.905   6.041  -7.663
  524    HD2  LYS   3           HD2      LYS   3  13.336   4.818  -9.040
  525    HD3  LYS   3           HD1      LYS   3  13.896   6.449  -9.156
  526    HE2  LYS   3           HE1      LYS   3  15.825   5.040  -9.106
  527    HE3  LYS   3           HE2      LYS   3  15.588   6.024  -7.458
  528    HZ1  LYS   3           HZ1      LYS   3  15.196   3.168  -7.282
  529    HZ2  LYS   3           HZ2      LYS   3  15.873   4.352  -6.234
  530    HZ3  LYS   3           HZ3      LYS   3  16.768   3.709  -7.514
  531    H    DAL   4           HN       DAL   4  13.049   6.409  -3.274
  532    HA   DAL   4           HA       DAL   4  14.013   4.622  -1.748
  533    HB1  DAL   4           HB1      DAL   4  15.389   6.231  -0.910
  534    HB2  DAL   4           HB2      DAL   4  16.673   5.758  -2.009
  535    HB3  DAL   4           HB3      DAL   4  16.064   4.594  -0.830
  536    H    DAL   5           HN       DAL   5  12.840   3.085  -3.108
  537    HA   DAL   5           HA       DAL   5  12.438   0.925  -4.535
  538    HB1  DAL   5           HB1      DAL   5  14.433   0.174  -3.285
  539    HB2  DAL   5           HB2      DAL   5  15.332   1.614  -3.737
  540    HB3  DAL   5           HB3      DAL   5  15.161   0.289  -4.887
  541    H12  P1W 103           H12      TPL  10  -8.395  -6.805   0.855
  542    H11  P1W 103           H11      TPL  10  -9.020  -5.242   0.327
  543    H2   P1W 103           H2       TPL  10 -10.830  -6.641  -0.942
  544    H43  P1W 103           H42      TPL  10 -10.616  -9.316  -2.291
  545    H42  P1W 103           H41      TPL  10 -10.431  -7.761  -3.097
  546    H51  P1W 103           H51      TPL  10  -7.986  -8.689   0.246
  547    H52  P1W 103           H52      TPL  10  -7.151  -8.236  -1.241
  548    H53  P1W 103           H53      TPL  10  -8.049  -9.753  -1.162
  549    H12  P1W 104           H12      TPL  11  -8.011  -8.518  -3.514
  550    H11  P1W 104           H11      TPL  11  -8.588 -10.137  -3.121
  551    H2   P1W 104           H2       TPL  11 -10.326  -8.754  -5.081
  552    H43  P1W 104           H42      TPL  11  -9.994  -9.178  -7.511
  553    H42  P1W 104           H41      TPL  11  -8.443  -9.821  -8.054
  554    H51  P1W 104           H51      TPL  11  -7.255 -11.149  -5.145
  555    H52  P1W 104           H52      TPL  11  -6.657  -9.502  -5.357
  556    H53  P1W 104           H53      TPL  11  -6.863 -10.556  -6.755
  557    H12  P1W 105           H12      TPL  11   8.889  -6.354  -8.356
  558    H11  P1W 105           H11      TPL  11   7.494  -6.389  -9.438
  559    H2   P1W 105           H2       TPL  11   9.206  -4.036  -8.667
  560    H43  P1W 105           H42      TPL  11   9.204  -2.349 -10.579
  561    H42  P1W 105           H41      TPL  11   7.834  -2.345 -11.690
  562    H51  P1W 105           H51      TPL  11   5.889  -4.854 -10.431
  563    H52  P1W 105           H52      TPL  11   7.133  -5.413 -11.551
  564    H53  P1W 105           H53      TPL  11   6.347  -3.856 -11.809
  565    H12  P1W 106           H12      TPL  12  -9.224 -12.068  -7.156
  566    H11  P1W 106           H11      TPL  12 -10.826 -11.346  -7.017
  567    H2   P1W 106           H2       TPL  12 -10.902 -10.961  -9.439
  568    H43  P1W 106           H43      TPL  12 -10.447 -11.924 -11.577
  569    H41  P1W 106           H41      TPL  12 -10.029 -13.629 -11.408
  570    H42  P1W 106           H42      TPL  12  -8.780 -12.453 -11.824
  571    H51  P1W 106           H51      TPL  12  -7.503 -12.513  -8.760
  572    H52  P1W 106           H52      TPL  12  -7.704 -13.679 -10.066
  573    H53  P1W 106           H53      TPL  12  -8.533 -13.929  -8.529
  574    H12  P1W 107           H12      TPL  12   7.309  -1.814  -8.800
  575    H11  P1W 107           H11      TPL  12   8.060  -0.538  -9.756
  576    H2   P1W 107           H2       TPL  12   5.405  -1.890 -10.406
  577    H43  P1W 107           H43      TPL  12   3.947  -0.504 -11.844
  578    H41  P1W 107           H41      TPL  12   4.485   1.104 -12.329
  579    H42  P1W 107           H42      TPL  12   3.787   0.854 -10.727
  580    H51  P1W 107           H51      TPL  12   6.275   2.127 -11.480
  581    H52  P1W 107           H52      TPL  12   7.590   0.973 -11.698
  582    H53  P1W 107           H53      TPL  12   7.168   1.529 -10.078
  583    H12  P1W 103           H12      TPL  10  10.539  -6.011  -4.496
  584    H11  P1W 103           H11      TPL  10   9.742  -4.437  -4.483
  585    H2   P1W 103           H2       TPL  10   9.169  -6.739  -6.217
  586    H43  P1W 103           H42      TPL  10   6.709  -6.758  -7.193
  587    H42  P1W 103           H41      TPL  10   6.215  -5.141  -7.679
  588    H51  P1W 103           H51      TPL  10   6.915  -3.869  -4.782
  589    H52  P1W 103           H52      TPL  10   6.482  -3.491  -6.450
  590    H53  P1W 103           H53      TPL  10   8.091  -3.090  -5.845
  591    H12  P1W 103           H12      TPL  10 -10.215   8.512  -3.814
  592    H11  P1W 103           H11      TPL  10 -11.776   8.528  -4.642
  593    H2   P1W 103           H2       TPL  10 -10.796   5.797  -4.059
  594    H43  P1W 103           H42      TPL  10  -8.814   4.916  -6.518
  595    H42  P1W 103           H41      TPL  10 -10.216   4.379  -5.596
  596    H51  P1W 103           H51      TPL  10  -9.516   8.523  -6.244
  597    H52  P1W 103           H52      TPL  10 -10.185   7.706  -7.657
  598    H53  P1W 103           H53      TPL  10  -8.545   7.338  -7.121
  599    H12  P1W 103           H12      TPL  10  10.857   5.701  -2.412
  600    H11  P1W 103           H11      TPL  10   9.372   6.652  -2.360
  601    H2   P1W 103           H2       TPL  10   8.944   3.747  -2.796
  602    H43  P1W 103           H42      TPL  10   7.518   3.571  -4.994
  603    H42  P1W 103           H41      TPL  10   8.217   4.370  -6.400
  604    H51  P1W 103           H51      TPL  10  10.843   5.744  -5.498
  605    H52  P1W 103           H52      TPL  10   9.810   6.903  -4.656
  606    H53  P1W 103           H53      TPL  10   9.309   6.234  -6.212
  607    H12  P1W 104           H12      TPL  11 -11.502   5.348  -7.701
  608    H11  P1W 104           H11      TPL  11  -9.978   4.975  -8.497
  609    H2   P1W 104           H2       TPL  11 -11.560   2.926  -6.881
  610    H43  P1W 104           H42      TPL  11 -11.097   0.708  -9.914
  611    H42  P1W 104           H41      TPL  11 -10.702   0.514  -8.204
  612    H51  P1W 104           H51      TPL  11 -10.624   2.403 -10.963
  613    H52  P1W 104           H52      TPL  11  -9.316   3.235 -10.120
  614    H53  P1W 104           H53      TPL  11 -10.859   4.047 -10.382
  615    H12  P1W 105           H12      TPL  11  10.144   2.663  -5.073
  616    H11  P1W 105           H11      TPL  11   8.718   1.763  -5.579
  617    H2   P1W 105           H2       TPL  11  10.337   3.559  -7.435
  618    H43  P1W 105           H42      TPL  11  10.401   0.549  -9.726
  619    H42  P1W 105           H41      TPL  11   9.817   2.201  -9.942
  620    H51  P1W 105           H51      TPL  11   9.644   0.140  -6.330
  621    H52  P1W 105           H52      TPL  11  10.210  -0.571  -7.842
  622    H53  P1W 105           H53      TPL  11   8.529  -0.072  -7.675
  623    H12  P1W 106           H12      TPL  12 -12.977  -0.153  -8.473
  624    H11  P1W 106           H11      TPL  12 -13.003   1.424  -7.686
  625    H2   P1W 106           H2       TPL  12 -13.499   0.929 -10.658
  626    H43  P1W 106           H43      TPL  12 -15.417   4.059 -10.716
  627    H41  P1W 106           H41      TPL  12 -16.304   2.533 -10.740
  628    H42  P1W 106           H42      TPL  12 -14.835   2.713 -11.701
  629    H51  P1W 106           H51      TPL  12 -15.556   3.880  -8.403
  630    H52  P1W 106           H52      TPL  12 -13.819   3.847  -8.104
  631    H53  P1W 106           H53      TPL  12 -14.842   2.551  -7.485
  632    H12  P1W 107           H12      TPL  12  11.890   3.123  -9.220
  633    H11  P1W 107           H11      TPL  12  12.459   1.560  -8.637
  634    H2   P1W 107           H2       TPL  12  12.217   2.493 -11.501
  635    H43  P1W 107           H43      TPL  12  13.958  -0.617 -12.573
  636    H41  P1W 107           H41      TPL  12  14.789   0.937 -12.515
  637    H42  P1W 107           H42      TPL  12  13.154   0.837 -13.173
  638    H51  P1W 107           H51      TPL  12  12.672  -0.696  -9.529
  639    H52  P1W 107           H52      TPL  12  14.250   0.047  -9.280
  640    H53  P1W 107           H53      TPL  12  14.051  -1.208 -10.503
  641    H1   MUB 101           H1       NAM   6 -10.945  -7.689   2.981
  642    H2   MUB 101           H2       NAM   6 -11.320  -8.763   4.828
  643    HN2  MUB 101           HN2      NAM   6  -9.956  -8.176   6.496
  644    H81  MUB 101           H81      NAM   6  -7.489  -7.669   7.260
  645    H82  MUB 101           H82      NAM   6  -6.522  -9.130   7.098
  646    H83  MUB 101           H83      NAM   6  -8.035  -9.197   7.996
  647    H3   MUB 101           H3       NAM   6  -8.884 -10.627   4.034
  648    H9   MUB 101           H9       NAM   6 -11.888 -10.558   4.825
  649   H111  MUB 101          H111      NAM   6 -11.586 -11.459   7.707
  650   H112  MUB 101          H112      NAM   6 -13.133 -11.034   7.049
  651   H113  MUB 101          H113      NAM   6 -11.915  -9.810   7.000
  652    H4A  MUB 101           H4       NAM   6 -11.587 -11.142   2.786
  653    H5   MUB 101           H5       NAM   6  -9.641 -10.116   0.904
  654    H61  MUB 101           H61      NAM   6 -10.948  -8.200   0.506
  655    H62  MUB 101           H62      NAM   6 -12.064  -8.602   1.856
  656    HO6  MUB 101           HO6      NAM   6 -11.454 -10.647  -0.109
  657    H1   NAG 102           H1       NAG   7  -8.736 -12.485   3.860
  658    H2   NAG 102           H2       NAG   7  -8.375 -13.864   1.108
  659    H3   NAG 102           H3       NAG   7  -6.662 -14.206   3.543
  660    H4   NAG 102           H4       NAG   7  -5.736 -12.764   1.091
  661    H5   NAG 102           H5       NAG   7  -6.526 -11.467   3.911
  662    H61  NAG 102           H61      NAG   7  -4.680 -10.303   2.721
  663    H62  NAG 102           H62      NAG   7  -6.131  -9.383   3.096
  664    H81  NAG 102           H81      NAG   7  -9.845 -17.079   3.789
  665    H82  NAG 102           H82      NAG   7 -11.175 -15.943   3.945
  666    H83  NAG 102           H83      NAG   7 -10.171 -16.262   5.352
  667    HN2  NAG 102           HN2      NAG   7  -9.681 -15.190   1.931
  668    HO3  NAG 102           HO3      NAG   7  -5.371 -15.073   1.759
  669    HO4  NAG 102           HO4      NAG   7  -4.170 -13.615   2.244
  670    HO6  NAG 102           HO6      NAG   7  -6.713  -9.651   0.909
  671    H1   MUB 101           H1       NAM   6  12.353 -10.642  -4.961
  672    H2   MUB 101           H2       NAM   6  14.220 -10.227  -3.815
  673    HN2  MUB 101           HN2      NAM   6  14.643  -8.081  -3.374
  674    H81  MUB 101           H81      NAM   6  16.267  -5.660  -5.535
  675    H82  MUB 101           H82      NAM   6  16.344  -6.240  -3.873
  676    H83  MUB 101           H83      NAM   6  14.829  -5.581  -4.485
  677    H3   MUB 101           H3       NAM   6  15.512  -9.360  -6.555
  678    H9   MUB 101           H9       NAM   6  15.525 -11.434  -4.202
  679   H111  MUB 101          H111      NAM   6  16.453 -10.949  -1.823
  680   H112  MUB 101          H112      NAM   6  15.734  -9.642  -2.711
  681   H113  MUB 101          H113      NAM   6  17.463  -9.698  -2.682
  682    H4A  MUB 101           H4       NAM   6  14.780 -12.308  -6.022
  683    H5   MUB 101           H5       NAM   6  13.453 -10.931  -8.290
  684    H61  MUB 101           H61      NAM   6  12.730 -13.011  -7.498
  685    H62  MUB 101           H62      NAM   6  11.323 -11.899  -7.439
  686    HO6  MUB 101           HO6      NAM   6  12.347 -13.398  -5.473
  687    H1   NAG 102           H1       NAG   7  17.043 -10.265  -7.664
  688    H2   NAG 102           H2       NAG   7  16.359 -11.863 -10.233
  689    H3   NAG 102           H3       NAG   7  18.363  -9.653  -9.861
  690    H4   NAG 102           H4       NAG   7  15.837  -9.348 -11.441
  691    H5   NAG 102           H5       NAG   7  16.468  -8.089  -8.567
  692    H61  NAG 102           H61      NAG   7  14.953  -6.773 -10.144
  693    H62  NAG 102           H62      NAG   7  14.482  -7.114  -8.479
  694    H81  NAG 102           H81      NAG   7  20.484 -12.731  -7.181
  695    H82  NAG 102           H82      NAG   7  20.411 -13.309  -8.838
  696    H83  NAG 102           H83      NAG   7  19.288 -13.976  -7.662
  697    HN2  NAG 102           HN2      NAG   7  17.846 -13.117  -9.629
  698    HO3  NAG 102           HO3      NAG   7  18.319 -11.455 -11.495
  699    HO4  NAG 102           HO4      NAG   7  17.630  -8.107 -11.899
  700    HO6  NAG 102           HO6      NAG   7  13.475  -9.056  -9.587
  701    H1   MUB 101           H1       NAM   6 -14.144   5.874  -0.072
  702    H2   MUB 101           H2       NAM   6 -15.508   4.527   1.190
  703    HN2  MUB 101           HN2      NAM   6 -14.488   2.821   2.224
  704    H81  MUB 101           H81      NAM   6 -12.865   0.717   1.940
  705    H82  MUB 101           H82      NAM   6 -13.637  -0.386   0.809
  706    H83  MUB 101           H83      NAM   6 -14.561   0.224   2.176
  707    H3   MUB 101           H3       NAM   6 -15.307   2.449  -1.151
  708    H9   MUB 101           H9       NAM   6 -16.979   4.612   0.293
  709   H111  MUB 101          H111      NAM   6 -18.886   2.949   2.012
  710   H112  MUB 101          H112      NAM   6 -18.204   4.504   2.364
  711   H113  MUB 101          H113      NAM   6 -17.097   3.180   2.280
  712    H4A  MUB 101           H4       NAM   6 -16.395   5.299  -1.616
  713    H5   MUB 101           H5       NAM   6 -14.063   4.179  -3.186
  714    H61  MUB 101           H61      NAM   6 -14.809   6.345  -3.628
  715    H62  MUB 101           H62      NAM   6 -13.123   6.489  -3.034
  716    HO6  MUB 101           HO6      NAM   6 -15.001   7.903  -2.088
  717    H1   NAG 102           H1       NAG   7 -16.676   2.064  -2.408
  718    H2   NAG 102           H2       NAG   7 -17.511   2.845  -5.268
  719    H3   NAG 102           H3       NAG   7 -17.523   0.127  -3.976
  720    H4   NAG 102           H4       NAG   7 -15.617   0.917  -6.144
  721    H5   NAG 102           H5       NAG   7 -14.926   0.489  -3.048
  722    H61  NAG 102           H61      NAG   7 -13.139  -0.095  -4.752
  723    H62  NAG 102           H62      NAG   7 -12.786   0.987  -3.400
  724    H81  NAG 102           H81      NAG   7 -21.359   2.069  -3.298
  725    H82  NAG 102           H82      NAG   7 -20.736   3.110  -2.029
  726    H83  NAG 102           H83      NAG   7 -20.986   1.407  -1.674
  727    HN2  NAG 102           HN2      NAG   7 -19.275   3.250  -4.277
  728    HO3  NAG 102           HO3      NAG   7 -18.929   0.725  -5.717
  729    HO4  NAG 102           HO4      NAG   7 -16.270  -1.225  -5.786
  730    HO6  NAG 102           HO6      NAG   7 -13.685   2.482  -5.351
  731    H1   MUB 101           H1       NAM   6  11.859   6.731   1.144
  732    H2   MUB 101           H2       NAM   6  11.680   7.877   3.031
  733    HN2  MUB 101           HN2      NAM   6   9.642   8.083   3.913
  734    H81  MUB 101           H81      NAM   6   7.046   8.460   3.411
  735    H82  MUB 101           H82      NAM   6   6.844  10.095   2.786
  736    H83  MUB 101           H83      NAM   6   7.729   9.853   4.289
  737    H3   MUB 101           H3       NAM   6  10.565  10.250   1.291
  738    H9   MUB 101           H9       NAM   6  13.126   9.360   2.856
  739   H111  MUB 101          H111      NAM   6  12.058  10.153   5.585
  740   H112  MUB 101          H112      NAM   6  13.577   9.337   5.406
  741   H113  MUB 101          H113      NAM   6  12.187   8.519   4.785
  742    H4A  MUB 101           H4       NAM   6  13.537   9.499   1.053
  743    H5   MUB 101           H5       NAM   6  11.911   9.211  -1.383
  744    H61  MUB 101           H61      NAM   6  14.071   8.117  -0.384
  745    H62  MUB 101           H62      NAM   6  13.312   7.373  -1.875
  746    HO6  MUB 101           HO6      NAM   6  12.947   5.640  -0.429
  747    H1   NAG 102           H1       NAG   7  11.150  11.985   0.561
  748    H2   NAG 102           H2       NAG   7  12.992  12.676  -1.813
  749    H3   NAG 102           H3       NAG   7  10.478  14.207  -1.115
  750    H4   NAG 102           H4       NAG   7  10.676  12.458  -3.528
  751    H5   NAG 102           H5       NAG   7   9.136  11.842  -0.793
  752    H61  NAG 102           H61      NAG   7   7.975  10.986  -2.829
  753    H62  NAG 102           H62      NAG   7   8.416   9.853  -1.552
  754    H81  NAG 102           H81      NAG   7  12.876  15.118   2.796
  755    H82  NAG 102           H82      NAG   7  13.417  16.001   1.379
  756    H83  NAG 102           H83      NAG   7  14.336  14.594   1.895
  757    HN2  NAG 102           HN2      NAG   7  13.868  14.002  -0.493
  758    HO3  NAG 102           HO3      NAG   7  12.552  14.759  -2.452
  759    HO4  NAG 102           HO4      NAG   7   9.246  14.227  -3.349
  760    HO6  NAG 102           HO6      NAG   7   9.568   8.876  -3.025
  Start of MODEL   19
    1    H    ZAE   1           HN1      DPH   1   7.315 -16.827  -3.037
    2    HA   ZAE   1           HA       DPH   1   7.414 -14.907  -4.445
    3    HB2  ZAE   1           HB1      DPH   1   9.279 -14.213  -2.200
    4    HB3  ZAE   1           HB2      DPH   1   9.468 -15.744  -3.047
    5    HD1  ZAE   1           HD1      DPH   1  10.884 -15.789  -4.873
    6    HD2  ZAE   1           HD2      DPH   1   9.028 -12.107  -3.808
    7    HE1  ZAE   1           HE1      DPH   1  12.153 -14.636  -6.640
    8    HE2  ZAE   1           HE2      DPH   1  10.292 -10.958  -5.572
    9    HZ   ZAE   1           HZ       DPH   1  11.857 -12.217  -6.990
   10    H11  ZAE   1          HN11      DPH   1   6.854 -14.954  -0.814
   11    H12  ZAE   1          HN12      DPH   1   8.278 -15.968  -1.048
   12    H13  ZAE   1          HN13      DPH   1   6.710 -16.712  -0.727
   13    HN2  ZAE   1           HN2      DPH   1   5.903 -15.914  -2.842
   14    H    ILE   2           HN       ILE   2   5.581 -13.553  -4.397
   15    HA   ILE   2           HA       ILE   2   6.060 -11.056  -3.012
   16    HB   ILE   2           HB       ILE   2   5.347 -10.944  -5.349
   17   HG12  ILE   2          HG12      ILE   2   3.134  -9.965  -3.533
   18   HG13  ILE   2          HG11      ILE   2   4.647  -9.126  -3.833
   19   HG21  ILE   2          HG21      ILE   2   3.130 -11.672  -6.081
   20   HG22  ILE   2          HG22      ILE   2   2.815 -12.331  -4.473
   21   HG23  ILE   2          HG23      ILE   2   4.095 -13.016  -5.473
   22   HD11  ILE   2          HD11      ILE   2   4.062  -8.778  -6.126
   23   HD12  ILE   2          HD12      ILE   2   2.757  -8.208  -5.086
   24   HD13  ILE   2          HD13      ILE   2   2.596  -9.744  -5.936
   25    H    SER   3           HN       SER   3   5.038 -10.401  -1.225
   26    HA   SER   3           HA       SER   3   2.599 -11.794  -0.389
   27    HB2  SER   3           HB2      SER   3   4.889 -11.145   1.475
   28    HB3  SER   3           HB1      SER   3   3.306 -11.709   1.987
   29    HG   SER   3           HG       SER   3   4.214 -13.396   0.168
   30    H    DAR   4           HN       DAR   4   1.395 -10.629   1.278
   31    HA   DAR   4           HA       DAR   4   1.455  -7.752   0.692
   32    HB2  DAR   4           HB1      DAR   4   0.827  -9.151   3.276
   33    HB3  DAR   4           HB2      DAR   4   0.525  -7.443   2.977
   34    HG2  DAR   4           HG1      DAR   4   2.892  -7.086   2.594
   35    HG3  DAR   4           HG2      DAR   4   3.195  -8.803   2.881
   36    HD2  DAR   4           HD1      DAR   4   3.501  -8.206   5.014
   37    HD3  DAR   4           HD2      DAR   4   1.742  -8.084   5.081
   38    HE   DAR   4           HE       DAR   4   2.565  -5.669   4.144
   39   HH11  DAR   4          HH21      DAR   4   3.550  -4.092   7.132
   40   HH12  DAR   4          HH22      DAR   4   3.080  -3.841   5.412
   41   HH21  DAR   4          HH11      DAR   4   3.621  -6.205   8.013
   42   HH22  DAR   4          HH12      DAR   4   3.155  -7.621   7.004
   43    HA   28J   5           HA       28J   5  -2.911  -8.155   0.840
   44    H22  28J   5           HB       28J   5  -2.070  -9.063  -1.465
   45    H23  28J   5          HG21      28J   5  -4.630  -8.556  -0.334
   46    H24  28J   5          HG22      28J   5  -4.150  -9.858  -1.423
   47    H25  28J   5          HG23      28J   5  -4.742  -8.330  -2.077
   48    H26  28J   5          HG11      28J   5  -1.769  -6.590  -2.266
   49    H27  28J   5          HG12      28J   5  -3.514  -6.628  -2.489
   50    H28  28J   5          HD11      28J   5  -2.256  -7.106  -4.551
   51    H29  28J   5          HD12      28J   5  -3.332  -8.419  -4.075
   52    H30  28J   5          HD13      28J   5  -1.598  -8.551  -3.783
   53    H    ILE   6           HN       ILE   6  -4.772  -6.881   0.462
   54    HA   ILE   6           HA       ILE   6  -4.332  -3.972   0.574
   55    HB   ILE   6           HB       ILE   6  -4.911  -4.018  -1.612
   56   HG12  ILE   6          HG12      ILE   6  -7.150  -3.487   0.011
   57   HG13  ILE   6          HG11      ILE   6  -6.898  -2.956  -1.643
   58   HG21  ILE   6          HG21      ILE   6  -5.075  -6.647  -1.345
   59   HG22  ILE   6          HG22      ILE   6  -5.667  -5.833  -2.795
   60   HG23  ILE   6          HG23      ILE   6  -6.799  -6.319  -1.532
   61   HD11  ILE   6          HD11      ILE   6  -8.219  -5.540  -0.872
   62   HD12  ILE   6          HD12      ILE   6  -8.148  -4.817  -2.480
   63   HD13  ILE   6          HD13      ILE   6  -9.077  -4.052  -1.212
   64    H    SER   7           HN       SER   7  -5.225  -3.427   2.571
   65    HA   SER   7           HA       SER   7  -8.064  -3.890   2.924
   66    HB2  SER   7           HB2      SER   7  -7.814  -4.723   5.294
   67    HB3  SER   7           HB1      SER   7  -7.332  -5.884   4.054
   68    HG   SER   7           HG       SER   7  -5.154  -4.762   4.472
   69    H    DTH   8           HN       DTC   8  -8.398  -3.164   5.460
   70    HA   DTH   8           HA       DTC   8  -7.166  -0.489   5.752
   71    HB   DTH   8           HB       DTC   8  -7.703  -0.550   8.140
   72   HG21  DTH   8          HG21      DTC   8  -5.601  -1.624   7.461
   73   HG22  DTH   8          HG22      DTC   8  -6.441  -3.151   7.185
   74   HG23  DTH   8          HG23      DTC   8  -6.319  -2.491   8.817
   75    H    ALA   9           HN       ALA   9  -9.816  -1.896   4.517
   76    HA   ALA   9           HA       ALA   9 -11.651   0.217   4.662
   77    HB1  ALA   9           HB1      ALA   9 -11.627  -1.343   2.813
   78    HB2  ALA   9           HB2      ALA   9 -13.173  -1.473   3.638
   79    HB3  ALA   9           HB3      ALA   9 -11.927  -2.693   3.898
   80    H    LEU  10           HN       LEU  10 -11.638  -2.959   5.754
   81    HA   LEU  10           HA       LEU  10 -13.914  -2.684   7.530
   82    HB2  LEU  10           HB2      LEU  10 -12.395  -4.881   6.308
   83    HB3  LEU  10           HB1      LEU  10 -12.834  -5.191   7.976
   84    HG   LEU  10           HG       LEU  10 -15.117  -5.214   7.529
   85   HD11  LEU  10          HD11      LEU  10 -15.978  -3.558   6.382
   86   HD12  LEU  10          HD12      LEU  10 -15.423  -4.313   4.887
   87   HD13  LEU  10          HD13      LEU  10 -14.392  -3.154   5.726
   88   HD21  LEU  10          HD21      LEU  10 -13.645  -6.367   5.158
   89   HD22  LEU  10          HD22      LEU  10 -15.406  -6.426   5.240
   90   HD23  LEU  10          HD23      LEU  10 -14.438  -7.208   6.490
   91    H    ILE  11           HN       ILE  11 -10.546  -3.660   7.809
   92    HA   ILE  11           HA       ILE  11 -10.627  -2.720  10.623
   93    HB   ILE  11           HB       ILE  11  -8.962  -4.503  11.215
   94   HG12  ILE  11          HG12      ILE  11  -9.825  -5.851   8.639
   95   HG13  ILE  11          HG11      ILE  11  -8.286  -5.014   8.813
   96   HG21  ILE  11          HG21      ILE  11 -11.640  -5.456  10.223
   97   HG22  ILE  11          HG22      ILE  11 -11.301  -4.737  11.798
   98   HG23  ILE  11          HG23      ILE  11 -10.617  -6.309  11.380
   99   HD11  ILE  11          HD11      ILE  11  -9.189  -7.418  10.394
  100   HD12  ILE  11          HD12      ILE  11  -7.646  -6.584  10.584
  101   HD13  ILE  11          HD13      ILE  11  -8.020  -7.415   9.074
  102    H    ZAE   1           HN1      DPH   1  -8.304   5.410   3.439
  103    HA   ZAE   1           HA       DPH   1  -9.242   3.864   1.949
  104    HB2  ZAE   1           HB1      DPH   1  -9.426   2.412   4.551
  105    HB3  ZAE   1           HB2      DPH   1  -9.967   4.089   4.513
  106    HD1  ZAE   1           HD1      DPH   1 -12.172   4.308   4.260
  107    HD2  ZAE   1           HD2      DPH   1 -10.233   1.103   2.295
  108    HE1  ZAE   1           HE1      DPH   1 -14.319   3.634   3.269
  109    HE2  ZAE   1           HE2      DPH   1 -12.387   0.395   1.321
  110    HZ   ZAE   1           HZ       DPH   1 -14.428   1.672   1.804
  111    H11  ZAE   1          HN11      DPH   1  -6.499   4.888   4.905
  112    H12  ZAE   1          HN12      DPH   1  -6.804   3.184   4.567
  113    H13  ZAE   1          HN13      DPH   1  -8.041   4.154   5.357
  114    HN2  ZAE   1           HN2      DPH   1  -7.037   4.646   2.624
  115    H    ILE   2           HN       ILE   2  -7.608   2.761   0.617
  116    HA   ILE   2           HA       ILE   2  -7.292   0.042   1.656
  117    HB   ILE   2           HB       ILE   2  -6.573  -0.622  -0.580
  118   HG12  ILE   2          HG12      ILE   2  -6.987   2.291  -1.262
  119   HG13  ILE   2          HG11      ILE   2  -5.459   1.427  -1.266
  120   HG21  ILE   2          HG21      ILE   2  -9.170   0.872  -0.360
  121   HG22  ILE   2          HG22      ILE   2  -8.881  -0.866  -0.233
  122   HG23  ILE   2          HG23      ILE   2  -8.727  -0.056  -1.790
  123   HD11  ILE   2          HD11      ILE   2  -7.770   1.001  -3.125
  124   HD12  ILE   2          HD12      ILE   2  -6.302   0.025  -3.099
  125   HD13  ILE   2          HD13      ILE   2  -6.213   1.738  -3.508
  126    H    SER   3           HN       SER   3  -5.635  -0.562   2.620
  127    HA   SER   3           HA       SER   3  -3.035   0.609   1.986
  128    HB2  SER   3           HB2      SER   3  -3.614  -0.409   4.732
  129    HB3  SER   3           HB1      SER   3  -2.375   0.727   4.207
  130    HG   SER   3           HG       SER   3  -5.079   1.430   3.946
  131    H    DAR   4           HN       DAR   4  -1.312  -0.602   2.260
  132    HA   DAR   4           HA       DAR   4  -1.740  -3.469   1.913
  133    HB2  DAR   4           HB1      DAR   4  -0.898  -2.576   4.345
  134    HB3  DAR   4           HB2      DAR   4   0.633  -2.736   3.510
  135    HG2  DAR   4           HG1      DAR   4   0.628  -4.963   3.680
  136    HG3  DAR   4           HG2      DAR   4  -1.070  -5.067   3.210
  137    HD2  DAR   4           HD1      DAR   4  -1.765  -4.481   5.451
  138    HD3  DAR   4           HD2      DAR   4  -0.085  -4.317   5.953
  139    HE   DAR   4           HE       DAR   4  -0.879  -6.908   4.904
  140   HH11  DAR   4          HH21      DAR   4  -0.282  -8.394   8.046
  141   HH12  DAR   4          HH22      DAR   4  -0.649  -8.704   6.312
  142   HH21  DAR   4          HH11      DAR   4  -0.076  -6.245   8.819
  143   HH22  DAR   4          HH12      DAR   4  -0.258  -4.859   7.688
  144    HA   28J   5           HA       28J   5   1.947  -2.734  -0.335
  145    H22  28J   5           HB       28J   5   0.211  -1.619  -1.699
  146    H23  28J   5          HG21      28J   5   2.404  -3.198  -2.962
  147    H24  28J   5          HG22      28J   5   2.247  -1.450  -2.779
  148    H25  28J   5          HG23      28J   5   1.298  -2.300  -4.000
  149    H26  28J   5          HG11      28J   5  -1.291  -3.585  -1.923
  150    H27  28J   5          HG12      28J   5  -0.105  -4.338  -2.980
  151    H28  28J   5          HD11      28J   5  -1.973  -3.340  -4.212
  152    H29  28J   5          HD12      28J   5  -0.419  -2.623  -4.641
  153    H30  28J   5          HD13      28J   5  -1.525  -1.761  -3.570
  154    H    ILE   6           HN       ILE   6   3.474  -3.855  -1.436
  155    HA   ILE   6           HA       ILE   6   3.087  -6.743  -1.585
  156    HB   ILE   6           HB       ILE   6   3.702  -6.950  -3.894
  157   HG12  ILE   6          HG12      ILE   6   3.319  -4.129  -4.633
  158   HG13  ILE   6          HG11      ILE   6   4.800  -4.462  -3.745
  159   HG21  ILE   6          HG21      ILE   6   1.669  -6.474  -4.908
  160   HG22  ILE   6          HG22      ILE   6   1.415  -5.003  -3.978
  161   HG23  ILE   6          HG23      ILE   6   1.246  -6.574  -3.198
  162   HD11  ILE   6          HD11      ILE   6   4.214  -6.272  -5.966
  163   HD12  ILE   6          HD12      ILE   6   5.732  -5.517  -5.475
  164   HD13  ILE   6          HD13      ILE   6   4.542  -4.599  -6.406
  165    H    SER   7           HN       SER   7   4.951  -8.010  -1.468
  166    HA   SER   7           HA       SER   7   7.550  -6.804  -1.813
  167    HB2  SER   7           HB2      SER   7   7.933  -7.742   0.718
  168    HB3  SER   7           HB1      SER   7   7.662  -6.046   0.303
  169    HG   SER   7           HG       SER   7   5.337  -7.292   0.439
  170    H    DTH   8           HN       DTC   8   9.178  -8.294  -0.541
  171    HA   DTH   8           HA       DTC   8   8.532 -11.150  -0.839
  172    HB   DTH   8           HB       DTC   8  10.203 -11.727   0.825
  173   HG21  DTH   8          HG21      DTC   8   7.999 -10.910   1.689
  174   HG22  DTH   8          HG22      DTC   8   8.685  -9.293   1.852
  175   HG23  DTH   8          HG23      DTC   8   9.328 -10.628   2.811
  176    H    ALA   9           HN       ALA   9  10.786  -8.952  -2.399
  177    HA   ALA   9           HA       ALA   9  12.068 -11.177  -3.655
  178    HB1  ALA   9           HB1      ALA   9  13.050  -8.374  -3.844
  179    HB2  ALA   9           HB2      ALA   9  11.516  -8.826  -4.584
  180    HB3  ALA   9           HB3      ALA   9  13.004  -9.630  -5.077
  181    H    LEU  10           HN       LEU  10  13.391  -8.393  -2.335
  182    HA   LEU  10           HA       LEU  10  15.884  -9.559  -1.608
  183    HB2  LEU  10           HB2      LEU  10  16.096  -7.297  -0.305
  184    HB3  LEU  10           HB1      LEU  10  16.138  -7.324  -2.055
  185    HG   LEU  10           HG       LEU  10  13.735  -6.685  -2.078
  186   HD11  LEU  10          HD11      LEU  10  13.209  -5.564   0.297
  187   HD12  LEU  10          HD12      LEU  10  14.134  -6.978   0.802
  188   HD13  LEU  10          HD13      LEU  10  12.680  -7.178  -0.174
  189   HD21  LEU  10          HD21      LEU  10  15.512  -4.982  -2.289
  190   HD22  LEU  10          HD22      LEU  10  15.450  -4.743  -0.544
  191   HD23  LEU  10          HD23      LEU  10  14.044  -4.362  -1.538
  192    H    ILE  11           HN       ILE  11  12.888  -8.877  -0.006
  193    HA   ILE  11           HA       ILE  11  14.005 -10.062   2.500
  194    HB   ILE  11           HB       ILE  11  12.685  -8.533   3.902
  195   HG12  ILE  11          HG12      ILE  11  12.186  -6.558   1.743
  196   HG13  ILE  11          HG11      ILE  11  11.135  -7.970   1.728
  197   HG21  ILE  11          HG21      ILE  11  14.933  -7.783   2.318
  198   HG22  ILE  11          HG22      ILE  11  14.551  -7.350   3.984
  199   HG23  ILE  11          HG23      ILE  11  13.950  -6.359   2.654
  200   HD11  ILE  11          HD11      ILE  11  11.437  -5.877   3.861
  201   HD12  ILE  11          HD12      ILE  11  10.682  -7.436   4.189
  202   HD13  ILE  11          HD13      ILE  11   9.986  -6.356   2.980
  203    H    ZAE   1           HN1      DPH   1   7.632  -5.759   2.656
  204    HA   ZAE   1           HA       DPH   1   8.367  -4.378   0.923
  205    HB2  ZAE   1           HB1      DPH   1   9.063  -2.961   3.494
  206    HB3  ZAE   1           HB2      DPH   1   9.711  -4.546   3.088
  207    HD1  ZAE   1           HD1      DPH   1  11.808  -4.549   2.261
  208    HD2  ZAE   1           HD2      DPH   1   9.262  -1.256   1.384
  209    HE1  ZAE   1           HE1      DPH   1  13.632  -3.485   1.000
  210    HE2  ZAE   1           HE2      DPH   1  11.076  -0.178   0.111
  211    HZ   ZAE   1           HZ       DPH   1  13.270  -1.296  -0.079
  212    H11  ZAE   1          HN11      DPH   1   6.601  -3.312   3.890
  213    H12  ZAE   1          HN12      DPH   1   7.885  -4.363   4.500
  214    H13  ZAE   1          HN13      DPH   1   6.223  -4.954   4.425
  215    HN2  ZAE   1           HN2      DPH   1   6.288  -4.918   2.061
  216    H    ILE   2           HN       ILE   2   6.724  -3.304  -0.210
  217    HA   ILE   2           HA       ILE   2   6.552  -0.493   0.527
  218    HB   ILE   2           HB       ILE   2   7.034  -1.364  -1.859
  219   HG12  ILE   2          HG12      ILE   2   4.922   0.735  -1.427
  220   HG13  ILE   2          HG11      ILE   2   6.652   0.983  -1.251
  221   HG21  ILE   2          HG21      ILE   2   5.058  -1.650  -3.294
  222   HG22  ILE   2          HG22      ILE   2   4.031  -1.640  -1.858
  223   HG23  ILE   2          HG23      ILE   2   5.211  -2.929  -2.090
  224   HD11  ILE   2          HD11      ILE   2   6.935   0.485  -3.640
  225   HD12  ILE   2          HD12      ILE   2   5.877   1.866  -3.358
  226   HD13  ILE   2          HD13      ILE   2   5.184   0.303  -3.785
  227    H    SER   3           HN       SER   3   5.032   0.267   1.674
  228    HA   SER   3           HA       SER   3   2.393  -1.013   1.582
  229    HB2  SER   3           HB2      SER   3   3.611   0.228   4.024
  230    HB3  SER   3           HB1      SER   3   2.047  -0.577   3.904
  231    HG   SER   3           HG       SER   3   4.270  -2.027   3.108
  232    H    DAR   4           HN       DAR   4   0.719   0.322   2.402
  233    HA   DAR   4           HA       DAR   4   1.021   3.044   1.345
  234    HB2  DAR   4           HB1      DAR   4  -0.023   2.150   3.960
  235    HB3  DAR   4           HB2      DAR   4  -1.003   3.337   3.117
  236    HG2  DAR   4           HG1      DAR   4   1.071   4.752   2.919
  237    HG3  DAR   4           HG2      DAR   4   1.843   3.608   4.025
  238    HD2  DAR   4           HD1      DAR   4   0.450   4.156   5.780
  239    HD3  DAR   4           HD2      DAR   4  -0.788   4.833   4.728
  240    HE   DAR   4           HE       DAR   4   1.381   6.469   4.413
  241   HH11  DAR   4          HH21      DAR   4   0.928   8.538   7.222
  242   HH12  DAR   4          HH22      DAR   4   1.667   8.405   5.585
  243   HH21  DAR   4          HH11      DAR   4  -0.377   6.803   8.034
  244   HH22  DAR   4          HH12      DAR   4  -0.578   5.305   7.058
  245    HA   28J   5           HA       28J   5  -3.015   2.185  -0.190
  246    H22  28J   5           HB       28J   5  -1.305   1.206  -1.823
  247    H23  28J   5          HG21      28J   5  -3.957   2.273  -2.733
  248    H24  28J   5          HG22      28J   5  -3.553   0.647  -2.176
  249    H25  28J   5          HG23      28J   5  -2.958   1.219  -3.734
  250    H26  28J   5          HG11      28J   5  -0.743   3.791  -2.432
  251    H27  28J   5          HG12      28J   5  -1.877   3.405  -3.719
  252    H28  28J   5          HD11      28J   5   0.378   3.022  -4.470
  253    H29  28J   5          HD12      28J   5  -0.471   1.481  -4.349
  254    H30  28J   5          HD13      28J   5   0.686   1.951  -3.103
  255    H    ILE   6           HN       ILE   6  -4.686   3.369  -0.996
  256    HA   ILE   6           HA       ILE   6  -4.200   6.219  -1.347
  257    HB   ILE   6           HB       ILE   6  -5.363   6.286  -3.578
  258   HG12  ILE   6          HG12      ILE   6  -4.439   3.472  -4.082
  259   HG13  ILE   6          HG11      ILE   6  -6.042   3.739  -3.422
  260   HG21  ILE   6          HG21      ILE   6  -3.305   5.720  -4.897
  261   HG22  ILE   6          HG22      ILE   6  -2.589   5.147  -3.390
  262   HG23  ILE   6          HG23      ILE   6  -3.079   6.835  -3.548
  263   HD11  ILE   6          HD11      ILE   6  -6.166   3.409  -5.805
  264   HD12  ILE   6          HD12      ILE   6  -4.975   4.684  -6.084
  265   HD13  ILE   6          HD13      ILE   6  -6.569   5.077  -5.435
  266    H    SER   7           HN       SER   7  -6.014   7.488  -1.016
  267    HA   SER   7           HA       SER   7  -8.633   6.317  -0.759
  268    HB2  SER   7           HB2      SER   7  -8.456   7.228   1.759
  269    HB3  SER   7           HB1      SER   7  -8.183   5.533   1.341
  270    HG   SER   7           HG       SER   7  -5.943   6.961   0.985
  271    H    DTH   8           HN       DTC   8  -9.794   8.032   1.000
  272    HA   DTH   8           HA       DTC   8  -8.730  10.729   0.474
  273    HB   DTH   8           HB       DTC   8 -10.464  11.559   2.097
  274   HG21  DTH   8          HG21      DTC   8  -8.209  10.949   2.884
  275   HG22  DTH   8          HG22      DTC   8  -8.744   9.291   3.172
  276   HG23  DTH   8          HG23      DTC   8  -9.439  10.620   4.102
  277    H    ALA   9           HN       ALA   9 -11.086   8.654  -0.801
  278    HA   ALA   9           HA       ALA   9 -12.343  10.768  -2.278
  279    HB1  ALA   9           HB1      ALA   9 -13.808   8.577  -2.810
  280    HB2  ALA   9           HB2      ALA   9 -12.286   7.856  -2.291
  281    HB3  ALA   9           HB3      ALA   9 -12.297   8.998  -3.629
  282    H    LEU  10           HN       LEU  10 -13.726   8.064  -0.343
  283    HA   LEU  10           HA       LEU  10 -16.036   9.703   0.394
  284    HB2  LEU  10           HB2      LEU  10 -15.252   6.864   1.123
  285    HB3  LEU  10           HB1      LEU  10 -16.641   7.663   1.827
  286    HG   LEU  10           HG       LEU  10 -17.886   7.548  -0.093
  287   HD11  LEU  10          HD11      LEU  10 -16.856   8.711  -1.689
  288   HD12  LEU  10          HD12      LEU  10 -16.452   7.112  -2.319
  289   HD13  LEU  10          HD13      LEU  10 -15.278   8.006  -1.352
  290   HD21  LEU  10          HD21      LEU  10 -17.780   5.280   0.229
  291   HD22  LEU  10          HD22      LEU  10 -16.031   5.226   0.028
  292   HD23  LEU  10          HD23      LEU  10 -17.075   5.375  -1.386
  293    H    ILE  11           HN       ILE  11 -13.354   8.175   2.075
  294    HA   ILE  11           HA       ILE  11 -13.946   9.974   4.369
  295    HB   ILE  11           HB       ILE  11 -12.598   8.568   5.811
  296   HG12  ILE  11          HG12      ILE  11 -12.235   6.472   3.715
  297   HG13  ILE  11          HG11      ILE  11 -11.145   7.853   3.673
  298   HG21  ILE  11          HG21      ILE  11 -14.516   6.948   4.133
  299   HG22  ILE  11          HG22      ILE  11 -14.927   7.936   5.536
  300   HG23  ILE  11          HG23      ILE  11 -13.933   6.494   5.735
  301   HD11  ILE  11          HD11      ILE  11 -11.539   5.923   5.949
  302   HD12  ILE  11          HD12      ILE  11 -10.536   7.371   6.026
  303   HD13  ILE  11          HD13      ILE  11 -10.125   6.072   4.906
  304    H    ZAE   1           HN1      DPH   1  -9.043  15.944  -2.548
  305    HA   ZAE   1           HA       DPH   1  -8.890  14.152  -4.141
  306    HB2  ZAE   1           HB1      DPH   1 -10.695  13.076  -2.003
  307    HB3  ZAE   1           HB2      DPH   1 -11.035  14.652  -2.713
  308    HD1  ZAE   1           HD1      DPH   1 -12.520  14.683  -4.450
  309    HD2  ZAE   1           HD2      DPH   1 -10.090  11.218  -3.910
  310    HE1  ZAE   1           HE1      DPH   1 -13.623  13.599  -6.347
  311    HE2  ZAE   1           HE2      DPH   1 -11.213  10.129  -5.821
  312    HZ   ZAE   1           HZ       DPH   1 -12.986  11.328  -7.045
  313    H11  ZAE   1          HN11      DPH   1  -8.225  13.951  -0.541
  314    H12  ZAE   1          HN12      DPH   1  -9.786  14.770  -0.621
  315    H13  ZAE   1          HN13      DPH   1  -8.321  15.695  -0.287
  316    HN2  ZAE   1           HN2      DPH   1  -7.518  15.211  -2.495
  317    H    ILE   2           HN       ILE   2  -6.934  13.007  -4.174
  318    HA   ILE   2           HA       ILE   2  -7.152  10.374  -2.985
  319    HB   ILE   2           HB       ILE   2  -6.452  10.776  -5.414
  320   HG12  ILE   2          HG12      ILE   2  -4.477   9.152  -3.809
  321   HG13  ILE   2          HG11      ILE   2  -6.122   8.624  -4.138
  322   HG21  ILE   2          HG21      ILE   2  -4.170  11.327  -5.922
  323   HG22  ILE   2          HG22      ILE   2  -3.773  11.444  -4.206
  324   HG23  ILE   2          HG23      ILE   2  -4.866  12.617  -4.940
  325   HD11  ILE   2          HD11      ILE   2  -5.620   8.737  -6.561
  326   HD12  ILE   2          HD12      ILE   2  -4.625   7.573  -5.692
  327   HD13  ILE   2          HD13      ILE   2  -3.948   9.131  -6.158
  328    H    SER   3           HN       SER   3  -5.927   9.622  -1.353
  329    HA   SER   3           HA       SER   3  -3.622  11.164  -0.450
  330    HB2  SER   3           HB2      SER   3  -5.854  10.365   1.404
  331    HB3  SER   3           HB1      SER   3  -4.341  11.141   1.867
  332    HG   SER   3           HG       SER   3  -5.444  12.603  -0.046
  333    H    DAR   4           HN       DAR   4  -2.188  10.055   0.855
  334    HA   DAR   4           HA       DAR   4  -2.294   7.167   0.430
  335    HB2  DAR   4           HB1      DAR   4  -2.564   8.493   2.938
  336    HB3  DAR   4           HB2      DAR   4  -1.028   7.630   2.917
  337    HG2  DAR   4           HG1      DAR   4  -2.054   5.567   2.607
  338    HG3  DAR   4           HG2      DAR   4  -3.564   6.298   2.054
  339    HD2  DAR   4           HD1      DAR   4  -4.184   6.936   4.203
  340    HD3  DAR   4           HD2      DAR   4  -2.538   6.794   4.824
  341    HE   DAR   4           HE       DAR   4  -3.588   4.303   3.908
  342   HH11  DAR   4          HH21      DAR   4  -4.326   3.181   7.166
  343   HH12  DAR   4          HH22      DAR   4  -4.101   2.685   5.452
  344   HH21  DAR   4          HH11      DAR   4  -3.989   5.357   7.796
  345   HH22  DAR   4          HH12      DAR   4  -3.451   6.570   6.579
  346    HA   28J   5           HA       28J   5   2.005   7.798   0.095
  347    H22  28J   5           HB       28J   5   1.111   8.663  -2.112
  348    H23  28J   5          HG21      28J   5   3.608   8.281  -1.314
  349    H24  28J   5          HG22      28J   5   3.233   8.886  -2.925
  350    H25  28J   5          HG23      28J   5   3.621   7.181  -2.695
  351    H26  28J   5          HG11      28J   5   0.213   6.342  -2.776
  352    H27  28J   5          HG12      28J   5   1.876   5.946  -3.192
  353    H28  28J   5          HD11      28J   5   1.925   7.703  -4.843
  354    H29  28J   5          HD12      28J   5   0.298   8.211  -4.385
  355    H30  28J   5          HD13      28J   5   0.552   6.636  -5.136
  356    H    ILE   6           HN       ILE   6   3.833   6.537  -0.309
  357    HA   ILE   6           HA       ILE   6   3.358   3.660  -0.032
  358    HB   ILE   6           HB       ILE   6   5.413   3.368  -1.531
  359   HG12  ILE   6          HG12      ILE   6   5.103   5.491  -3.283
  360   HG13  ILE   6          HG11      ILE   6   5.009   6.244  -1.689
  361   HG21  ILE   6          HG21      ILE   6   4.066   3.387  -3.616
  362   HG22  ILE   6          HG22      ILE   6   2.792   4.249  -2.752
  363   HG23  ILE   6          HG23      ILE   6   3.241   2.619  -2.257
  364   HD11  ILE   6          HD11      ILE   6   7.195   4.458  -2.666
  365   HD12  ILE   6          HD12      ILE   6   7.091   5.202  -1.070
  366   HD13  ILE   6          HD13      ILE   6   7.260   6.202  -2.513
  367    H    SER   7           HN       SER   7   4.651   2.668   1.549
  368    HA   SER   7           HA       SER   7   7.211   3.822   2.189
  369    HB2  SER   7           HB2      SER   7   6.880   4.162   4.558
  370    HB3  SER   7           HB1      SER   7   5.747   5.173   3.663
  371    HG   SER   7           HG       SER   7   4.435   4.262   5.063
  372    H    DTH   8           HN       DTC   8   7.616   2.564   4.679
  373    HA   DTH   8           HA       DTC   8   7.109  -0.270   4.059
  374    HB   DTH   8           HB       DTC   8   7.593  -0.798   6.392
  375   HG21  DTH   8          HG21      DTC   8   5.332  -0.056   5.819
  376   HG22  DTH   8          HG22      DTC   8   5.796   1.628   6.059
  377   HG23  DTH   8          HG23      DTC   8   5.772   0.515   7.426
  378    H    ALA   9           HN       ALA   9   9.352   1.917   3.353
  379    HA   ALA   9           HA       ALA   9  11.559   0.103   3.218
  380    HB1  ALA   9           HB1      ALA   9  11.024   2.856   2.374
  381    HB2  ALA   9           HB2      ALA   9  11.966   1.592   1.587
  382    HB3  ALA   9           HB3      ALA   9  12.694   2.564   2.865
  383    H    LEU  10           HN       LEU  10  10.976   3.070   5.179
  384    HA   LEU  10           HA       LEU  10  13.228   2.402   6.895
  385    HB2  LEU  10           HB2      LEU  10  11.151   4.586   7.095
  386    HB3  LEU  10           HB1      LEU  10  12.435   4.349   8.262
  387    HG   LEU  10           HG       LEU  10  14.098   5.017   6.768
  388   HD11  LEU  10          HD11      LEU  10  14.024   4.268   4.703
  389   HD12  LEU  10          HD12      LEU  10  12.908   5.579   4.330
  390   HD13  LEU  10          HD13      LEU  10  12.285   3.993   4.788
  391   HD21  LEU  10          HD21      LEU  10  13.412   7.199   5.994
  392   HD22  LEU  10          HD22      LEU  10  12.731   6.861   7.580
  393   HD23  LEU  10          HD23      LEU  10  11.715   6.744   6.144
  394    H    ILE  11           HN       ILE  11   9.792   3.017   7.408
  395    HA   ILE  11           HA       ILE  11   9.940   1.048   9.630
  396    HB   ILE  11           HB       ILE  11   7.886   2.140  10.552
  397   HG12  ILE  11          HG12      ILE  11   8.535   4.317   8.545
  398   HG13  ILE  11          HG11      ILE  11   7.184   3.201   8.387
  399   HG21  ILE  11          HG21      ILE  11  10.291   3.929  10.211
  400   HG22  ILE  11          HG22      ILE  11  10.127   2.641  11.405
  401   HG23  ILE  11          HG23      ILE  11   9.079   4.058  11.486
  402   HD11  ILE  11          HD11      ILE  11   7.588   5.262  10.541
  403   HD12  ILE  11          HD12      ILE  11   6.279   4.080  10.516
  404   HD13  ILE  11          HD13      ILE  11   6.396   5.293   9.241
  405    H1   ALA   1           HN       ALA   1  -8.979  -9.687  -2.537
  406    HA   ALA   1           HA       ALA   1  -7.742 -10.669  -4.869
  407    HB1  ALA   1           HB1      ALA   1  -5.613  -9.828  -4.946
  408    HB2  ALA   1           HB2      ALA   1  -5.652  -9.245  -3.265
  409    HB3  ALA   1           HB3      ALA   1  -6.554  -8.395  -4.524
  410    H    DGL   2           HN       DGL   2  -5.067 -10.908  -3.107
  411    HA   DGL   2           HA       DGL   2  -4.518 -11.903  -1.138
  412    HB2  DGL   2           HB1      DGL   2  -5.727 -14.370  -1.115
  413    HB3  DGL   2           HB2      DGL   2  -4.369 -14.019  -2.129
  414    HG2  DGL   2           HG1      DGL   2  -5.597 -14.479  -4.062
  415    HG3  DGL   2           HG2      DGL   2  -6.938 -13.425  -3.609
  416    H    LYS   3           HN       LYS   3  -7.306 -15.034  -1.099
  417    HA   LYS   3           HA       LYS   3  -8.318 -16.765  -0.299
  418    HB2  LYS   3           HB2      LYS   3  -9.957 -15.399  -1.791
  419    HB3  LYS   3           HB1      LYS   3 -10.158 -16.964  -2.602
  420    HG2  LYS   3           HG2      LYS   3 -10.192 -16.759   0.404
  421    HG3  LYS   3           HG1      LYS   3 -11.631 -16.355  -0.519
  422    HD2  LYS   3           HD2      LYS   3 -12.248 -18.542  -0.358
  423    HD3  LYS   3           HD1      LYS   3 -11.007 -18.758  -1.545
  424    HE2  LYS   3           HE2      LYS   3 -10.792 -20.515   0.026
  425    HE3  LYS   3           HE1      LYS   3  -9.342 -19.231   0.037
  426    HZ1  LYS   3           HZ1      LYS   3 -10.846 -19.081   2.382
  427    HZ2  LYS   3           HZ2      LYS   3  -9.257 -19.257   2.076
  428    HZ3  LYS   3           HZ3      LYS   3 -10.230 -20.630   2.079
  429    H    DAL   4           HN       DAL   4  -6.225 -17.545  -0.664
  430    HA   DAL   4           HA       DAL   4  -4.507 -19.479  -0.880
  431    HB1  DAL   4           HB1      DAL   4  -5.901 -20.608  -3.148
  432    HB2  DAL   4           HB2      DAL   4  -4.362 -21.106  -2.444
  433    HB3  DAL   4           HB3      DAL   4  -4.508 -19.477  -3.261
  434    H    DAL   5           HN       DAL   5  -4.834 -19.765   1.397
  435    HA   DAL   5           HA       DAL   5  -5.526 -20.902   3.623
  436    HB1  DAL   5           HB1      DAL   5  -6.360 -22.657   1.356
  437    HB2  DAL   5           HB2      DAL   5  -6.325 -23.195   3.028
  438    HB3  DAL   5           HB3      DAL   5  -4.808 -22.885   2.148
  439    H1   ALA   1           HN       ALA   1  16.121  -5.956  -9.490
  440    HA   ALA   1           HA       ALA   1  16.441  -8.363 -10.908
  441    HB1  ALA   1           HB1      ALA   1  15.031  -9.369  -9.205
  442    HB2  ALA   1           HB2      ALA   1  14.228  -9.384 -10.794
  443    HB3  ALA   1           HB3      ALA   1  13.759  -8.202  -9.566
  444    H    DGL   2           HN       DGL   2  14.085  -8.528 -12.444
  445    HA   DGL   2           HA       DGL   2  12.728  -7.284 -13.704
  446    HB2  DGL   2           HB1      DGL   2  14.160  -5.336 -14.965
  447    HB3  DGL   2           HB2      DGL   2  14.316  -7.022 -15.411
  448    HG2  DGL   2           HG1      DGL   2  16.540  -7.150 -14.628
  449    HG3  DGL   2           HG2      DGL   2  16.274  -6.122 -13.219
  450    H    LYS   3           HN       LYS   3  15.312  -3.837 -14.667
  451    HA   LYS   3           HA       LYS   3  15.897  -2.052 -15.742
  452    HB2  LYS   3           HB2      LYS   3  17.575  -2.422 -13.771
  453    HB3  LYS   3           HB1      LYS   3  18.760  -2.292 -15.083
  454    HG2  LYS   3           HG2      LYS   3  16.465  -0.353 -14.859
  455    HG3  LYS   3           HG1      LYS   3  17.905  -0.134 -13.879
  456    HD2  LYS   3           HD2      LYS   3  18.676   1.181 -15.590
  457    HD3  LYS   3           HD1      LYS   3  19.043  -0.375 -16.256
  458    HE2  LYS   3           HE1      LYS   3  18.243   0.831 -18.062
  459    HE3  LYS   3           HE2      LYS   3  16.939  -0.449 -17.421
  460    HZ1  LYS   3           HZ1      LYS   3  16.200   2.252 -16.998
  461    HZ2  LYS   3           HZ2      LYS   3  15.325   0.908 -17.602
  462    HZ3  LYS   3           HZ3      LYS   3  16.377   1.764 -18.610
  463    H    DAL   4           HN       DAL   4  15.215  -3.614 -17.343
  464    HA   DAL   4           HA       DAL   4  15.097  -4.438 -19.833
  465    HB1  DAL   4           HB1      DAL   4  17.889  -3.917 -20.320
  466    HB2  DAL   4           HB2      DAL   4  16.690  -4.660 -21.382
  467    HB3  DAL   4           HB3      DAL   4  17.221  -5.523 -19.860
  468    H    DAL   5           HN       DAL   5  13.405  -2.691 -18.888
  469    HA   DAL   5           HA       DAL   5  11.900  -0.630 -19.361
  470    HB1  DAL   5           HB1      DAL   5  13.931  -0.770 -21.543
  471    HB2  DAL   5           HB2      DAL   5  12.512   0.262 -21.605
  472    HB3  DAL   5           HB3      DAL   5  12.349  -1.504 -21.747
  473    H1   ALA   1           HN       ALA   1 -18.817   3.098  -4.991
  474    HA   ALA   1           HA       ALA   1 -20.778   4.963  -5.775
  475    HB1  ALA   1           HB1      ALA   1 -19.628   6.562  -4.366
  476    HB2  ALA   1           HB2      ALA   1 -19.469   7.009  -6.082
  477    HB3  ALA   1           HB3      ALA   1 -18.122   6.245  -5.228
  478    H    DGL   2           HN       DGL   2 -17.859   6.189  -7.066
  479    HA   DGL   2           HA       DGL   2 -16.689   5.685  -8.927
  480    HB2  DGL   2           HB1      DGL   2 -18.936   3.810  -9.756
  481    HB3  DGL   2           HB2      DGL   2 -17.872   4.685 -10.810
  482    HG2  DGL   2           HG1      DGL   2 -20.089   6.032  -9.162
  483    HG3  DGL   2           HG2      DGL   2 -20.401   5.569 -10.837
  484    H    LYS   3           HN       LYS   3 -17.254   6.779  -9.973
  485    HA   LYS   3           HA       LYS   3 -16.073   8.473 -10.606
  486    HB2  LYS   3           HB2      LYS   3 -16.644   8.108 -12.791
  487    HB3  LYS   3           HB1      LYS   3 -18.252   8.834 -12.621
  488    HG2  LYS   3           HG2      LYS   3 -17.041  10.997 -11.967
  489    HG3  LYS   3           HG1      LYS   3 -15.557  10.211 -12.483
  490    HD2  LYS   3           HD2      LYS   3 -16.418  10.039 -14.834
  491    HD3  LYS   3           HD1      LYS   3 -17.899  10.727 -14.256
  492    HE2  LYS   3           HE1      LYS   3 -16.651  12.326 -15.605
  493    HE3  LYS   3           HE2      LYS   3 -17.053  12.786 -13.770
  494    HZ1  LYS   3           HZ1      LYS   3 -14.464  12.902 -15.127
  495    HZ2  LYS   3           HZ2      LYS   3 -14.648  12.606 -13.529
  496    HZ3  LYS   3           HZ3      LYS   3 -15.360  14.001 -14.199
  497    H    DAL   4           HN       DAL   4 -15.666   9.367  -8.999
  498    HA   DAL   4           HA       DAL   4 -15.349  11.092  -7.075
  499    HB1  DAL   4           HB1      DAL   4 -18.127  11.701  -6.986
  500    HB2  DAL   4           HB2      DAL   4 -16.827  12.194  -5.897
  501    HB3  DAL   4           HB3      DAL   4 -17.318  10.436  -5.998
  502    H    DAL   5           HN       DAL   5 -13.615  11.613  -8.762
  503    HA   DAL   5           HA       DAL   5 -12.321  13.129 -10.279
  504    HB1  DAL   5           HB1      DAL   5 -12.972  14.581  -8.435
  505    HB2  DAL   5           HB2      DAL   5 -14.543  14.914  -9.141
  506    HB3  DAL   5           HB3      DAL   5 -13.064  15.607  -9.852
  507    H1   ALA   1           HN       ALA   1  11.801  11.494  -0.956
  508    HA   ALA   1           HA       ALA   1  12.400  11.590  -3.699
  509    HB1  ALA   1           HB1      ALA   1  12.965   9.209  -3.410
  510    HB2  ALA   1           HB2      ALA   1  11.641   9.476  -4.570
  511    HB3  ALA   1           HB3      ALA   1  11.295   8.904  -2.931
  512    H    DGL   2           HN       DGL   2   9.915  10.025  -4.532
  513    HA   DGL   2           HA       DGL   2   7.705  10.188  -4.201
  514    HB2  DGL   2           HB1      DGL   2   6.874  12.712  -4.298
  515    HB3  DGL   2           HB2      DGL   2   7.693  12.040  -5.693
  516    HG2  DGL   2           HG1      DGL   2   9.467  13.572  -5.520
  517    HG3  DGL   2           HG2      DGL   2   9.618  13.428  -3.767
  518    H    LYS   3           HN       LYS   3   6.854  14.230  -3.260
  519    HA   LYS   3           HA       LYS   3   5.622  15.948  -2.836
  520    HB2  LYS   3           HB2      LYS   3   8.180  16.636  -2.212
  521    HB3  LYS   3           HB1      LYS   3   7.541  18.099  -2.986
  522    HG2  LYS   3           HG2      LYS   3   5.946  16.553  -0.945
  523    HG3  LYS   3           HG1      LYS   3   7.143  17.735  -0.444
  524    HD2  LYS   3           HD2      LYS   3   5.432  19.256  -0.437
  525    HD3  LYS   3           HD1      LYS   3   5.740  19.217  -2.140
  526    HE2  LYS   3           HE1      LYS   3   3.696  17.288  -1.298
  527    HE3  LYS   3           HE2      LYS   3   3.366  19.169  -1.378
  528    HZ1  LYS   3           HZ1      LYS   3   2.799  17.259  -3.375
  529    HZ2  LYS   3           HZ2      LYS   3   3.997  18.349  -3.941
  530    HZ3  LYS   3           HZ3      LYS   3   2.569  18.938  -3.254
  531    H    DAL   4           HN       DAL   4   6.169  15.100  -5.494
  532    HA   DAL   4           HA       DAL   4   5.057  15.158  -7.815
  533    HB1  DAL   4           HB1      DAL   4   5.922  17.913  -8.111
  534    HB2  DAL   4           HB2      DAL   4   5.322  16.798  -9.339
  535    HB3  DAL   4           HB3      DAL   4   6.942  16.494  -8.546
  536    H    DAL   5           HN       DAL   5   3.320  14.297  -6.297
  537    HA   DAL   5           HA       DAL   5   0.640  14.005  -5.630
  538    HB1  DAL   5           HB1      DAL   5   1.522  15.881  -7.844
  539    HB2  DAL   5           HB2      DAL   5   0.174  16.462  -6.891
  540    HB3  DAL   5           HB3      DAL   5   0.040  14.937  -7.779
  541    H12  P1W 103           H12      TPL  10 -12.805  -3.697   2.463
  542    H11  P1W 103           H11      TPL  10 -13.417  -3.580   4.112
  543    H2   P1W 103           H2       TPL  10 -14.509  -6.025   3.268
  544    H43  P1W 103           H42      TPL  10 -17.057  -5.958   2.848
  545    H42  P1W 103           H41      TPL  10 -17.686  -4.567   1.962
  546    H51  P1W 103           H51      TPL  10 -14.993  -2.447   1.828
  547    H52  P1W 103           H52      TPL  10 -15.740  -2.467   3.422
  548    H53  P1W 103           H53      TPL  10 -16.743  -2.650   1.979
  549    H12  P1W 104           H12      TPL  11 -17.542  -6.350   0.407
  550    H11  P1W 104           H11      TPL  11 -16.193  -5.285   0.020
  551    H2   P1W 104           H2       TPL  11 -14.736  -6.864   1.486
  552    H43  P1W 104           H42      TPL  11 -15.432 -10.457   0.671
  553    H42  P1W 104           H41      TPL  11 -14.101  -9.348   0.308
  554    H51  P1W 104           H51      TPL  11 -17.398  -8.642  -0.835
  555    H52  P1W 104           H52      TPL  11 -18.101  -8.336   0.753
  556    H53  P1W 104           H53      TPL  11 -17.424  -9.922   0.379
  557    H12  P1W 105           H12      TPL  11   5.970  -1.502  -5.338
  558    H11  P1W 105           H11      TPL  11   6.767  -0.966  -6.819
  559    H2   P1W 105           H2       TPL  11   4.613  -2.931  -7.340
  560    H43  P1W 105           H42      TPL  11   2.391  -0.238  -8.492
  561    H42  P1W 105           H41      TPL  11   2.758  -1.956  -8.681
  562    H51  P1W 105           H51      TPL  11   3.183   0.961  -6.669
  563    H52  P1W 105           H52      TPL  11   4.843   1.009  -7.260
  564    H53  P1W 105           H53      TPL  11   4.500   0.393  -5.643
  565    H12  P1W 106           H12      TPL  12 -14.298 -10.554   2.660
  566    H11  P1W 106           H11      TPL  12 -13.672  -8.916   2.513
  567    H2   P1W 106           H2       TPL  12 -16.076  -8.103   2.975
  568    H43  P1W 106           H43      TPL  12 -17.627  -8.205   4.822
  569    H41  P1W 106           H41      TPL  12 -16.810  -8.861   6.247
  570    H42  P1W 106           H42      TPL  12 -18.000  -9.834   5.383
  571    H51  P1W 106           H51      TPL  12 -14.610 -10.905   5.277
  572    H52  P1W 106           H52      TPL  12 -15.501 -11.676   3.967
  573    H53  P1W 106           H53      TPL  12 -16.262 -11.470   5.547
  574    H12  P1W 107           H12      TPL  12   1.973  -1.726  -6.023
  575    H11  P1W 107           H11      TPL  12   0.873  -0.651  -6.882
  576    H2   P1W 107           H2       TPL  12   1.312  -3.592  -7.545
  577    H43  P1W 107           H43      TPL  12  -1.067  -4.717  -7.753
  578    H41  P1W 107           H41      TPL  12  -0.973  -4.114  -9.412
  579    H42  P1W 107           H42      TPL  12  -2.342  -3.679  -8.390
  580    H51  P1W 107           H51      TPL  12  -0.738  -0.562  -8.406
  581    H52  P1W 107           H52      TPL  12  -1.623  -1.063  -6.968
  582    H53  P1W 107           H53      TPL  12  -2.232  -1.494  -8.567
  583    H12  P1W 103           H12      TPL  10   9.386  -3.184  -3.017
  584    H11  P1W 103           H11      TPL  10   7.948  -2.971  -2.016
  585    H2   P1W 103           H2       TPL  10   6.576  -3.873  -3.996
  586    H43  P1W 103           H42      TPL  10   7.456  -3.142  -7.360
  587    H42  P1W 103           H41      TPL  10   6.262  -3.873  -6.292
  588    H51  P1W 103           H51      TPL  10   9.598  -1.820  -5.816
  589    H52  P1W 103           H52      TPL  10   9.631  -3.377  -6.640
  590    H53  P1W 103           H53      TPL  10  10.093  -3.277  -4.941
  591    H12  P1W 103           H12      TPL  10  -9.653   2.639  -0.973
  592    H11  P1W 103           H11      TPL  10  -8.354   3.280  -1.986
  593    H2   P1W 103           H2       TPL  10 -10.886   2.583  -2.948
  594    H43  P1W 103           H42      TPL  10 -12.136   4.738  -4.678
  595    H42  P1W 103           H41      TPL  10 -10.811   4.811  -5.835
  596    H51  P1W 103           H51      TPL  10  -8.580   5.268  -4.870
  597    H52  P1W 103           H52      TPL  10  -8.470   5.329  -3.114
  598    H53  P1W 103           H53      TPL  10  -9.601   6.388  -3.954
  599    H12  P1W 103           H12      TPL  10   7.331   5.641   2.861
  600    H11  P1W 103           H11      TPL  10   8.469   6.478   1.804
  601    H2   P1W 103           H2       TPL  10   7.771   8.568   2.585
  602    H43  P1W 103           H42      TPL  10   6.176   9.505   5.675
  603    H42  P1W 103           H41      TPL  10   6.930  10.120   4.204
  604    H51  P1W 103           H51      TPL  10   6.416   6.038   5.122
  605    H52  P1W 103           H52      TPL  10   6.038   7.362   6.220
  606    H53  P1W 103           H53      TPL  10   7.715   6.883   5.977
  607    H12  P1W 104           H12      TPL  11 -10.584   2.308  -5.474
  608    H11  P1W 104           H11      TPL  11 -12.149   2.376  -4.658
  609    H2   P1W 104           H2       TPL  11 -12.999   3.575  -6.809
  610    H43  P1W 104           H42      TPL  11 -12.918   3.341  -9.274
  611    H42  P1W 104           H41      TPL  11 -11.656   2.328  -9.984
  612    H51  P1W 104           H51      TPL  11 -10.374   0.776  -7.210
  613    H52  P1W 104           H52      TPL  11  -9.545   2.291  -7.570
  614    H53  P1W 104           H53      TPL  11 -10.131   1.273  -8.885
  615    H12  P1W 105           H12      TPL  11   4.326   8.618   4.190
  616    H11  P1W 105           H11      TPL  11   4.390  10.371   4.366
  617    H2   P1W 105           H2       TPL  11   4.960   8.727   1.923
  618    H43  P1W 105           H42      TPL  11   5.464  11.928   0.097
  619    H42  P1W 105           H41      TPL  11   5.716  10.187  -0.047
  620    H51  P1W 105           H51      TPL  11   5.194  12.090   3.528
  621    H52  P1W 105           H52      TPL  11   3.665  12.326   2.685
  622    H53  P1W 105           H53      TPL  11   5.161  12.944   1.986
  623    H12  P1W 106           H12      TPL  12 -12.885   0.325  -9.042
  624    H11  P1W 106           H11      TPL  12 -14.211   1.418  -8.647
  625    H2   P1W 106           H2       TPL  12 -14.408   2.018 -11.069
  626    H43  P1W 106           H43      TPL  12 -13.947   0.795 -13.508
  627    H41  P1W 106           H41      TPL  12 -15.452   0.093 -12.897
  628    H42  P1W 106           H42      TPL  12 -14.116  -0.955 -13.370
  629    H51  P1W 106           H51      TPL  12 -13.554  -2.075 -11.616
  630    H52  P1W 106           H52      TPL  12 -13.432  -1.422  -9.984
  631    H53  P1W 106           H53      TPL  12 -12.100  -1.201 -11.120
  632    H12  P1W 107           H12      TPL  12   3.838  10.389  -1.335
  633    H11  P1W 107           H11      TPL  12   3.064  10.163   0.233
  634    H2   P1W 107           H2       TPL  12   3.608  12.976  -0.114
  635    H43  P1W 107           H43      TPL  12   1.973  14.519  -1.098
  636    H41  P1W 107           H41      TPL  12   0.507  13.911  -0.318
  637    H42  P1W 107           H42      TPL  12   0.662  13.856  -2.074
  638    H51  P1W 107           H51      TPL  12  -0.015  11.648  -1.871
  639    H52  P1W 107           H52      TPL  12   0.866  10.463  -0.910
  640    H53  P1W 107           H53      TPL  12   1.422  10.862  -2.536
  641    H1   MUB 101           H1       NAM   6  -9.270  -5.714   0.821
  642    H2   MUB 101           H2       NAM   6  -9.922  -5.751  -1.313
  643    HN2  MUB 101           HN2      NAM   6 -11.931  -4.780  -1.610
  644    H81  MUB 101           H81      NAM   6 -15.129  -6.466  -1.603
  645    H82  MUB 101           H82      NAM   6 -14.204  -5.429  -2.678
  646    H83  MUB 101           H83      NAM   6 -14.509  -4.885  -1.034
  647    H3   MUB 101           H3       NAM   6 -11.695  -8.223  -0.576
  648    H9   MUB 101           H9       NAM   6  -9.324  -7.340  -2.496
  649   H111  MUB 101          H111      NAM   6 -11.483  -5.805  -3.985
  650   H112  MUB 101          H112      NAM   6  -9.868  -5.780  -4.635
  651   H113  MUB 101          H113      NAM   6 -10.045  -5.270  -3.001
  652    H4A  MUB 101           H4       NAM   6  -8.618  -8.232  -1.006
  653    H5   MUB 101           H5       NAM   6  -9.780  -9.240   1.521
  654    H61  MUB 101           H61      NAM   6  -8.136  -8.273   2.609
  655    H62  MUB 101           H62      NAM   6  -7.881  -6.852   1.532
  656    HO6  MUB 101           HO6      NAM   6  -7.417  -9.707   0.791
  657    H1   NAG 102           H1       NAG   7 -11.544  -9.983  -0.985
  658    H2   NAG 102           H2       NAG   7  -9.821 -12.586  -0.996
  659    H3   NAG 102           H3       NAG   7 -12.865 -12.189  -1.289
  660    H4   NAG 102           H4       NAG   7 -11.515 -13.490   1.051
  661    H5   NAG 102           H5       NAG   7 -12.868 -10.610   0.925
  662    H61  NAG 102           H61      NAG   7 -13.000 -11.822   3.136
  663    H62  NAG 102           H62      NAG   7 -12.402 -10.174   3.030
  664    H81  NAG 102           H81      NAG   7 -12.004 -10.817  -5.425
  665    H82  NAG 102           H82      NAG   7 -11.045 -12.286  -5.315
  666    H83  NAG 102           H83      NAG   7 -10.250 -10.729  -5.097
  667    HN2  NAG 102           HN2      NAG   7  -9.636 -12.099  -2.991
  668    HO3  NAG 102           HO3      NAG   7 -11.734 -13.958  -2.243
  669    HO4  NAG 102           HO4      NAG   7 -13.656 -13.972   0.458
  670    HO6  NAG 102           HO6      NAG   7 -10.283 -11.550   2.764
  671    H1   MUB 101           H1       NAM   6  13.398  -6.808  -5.433
  672    H2   MUB 101           H2       NAM   6  15.607  -6.357  -4.964
  673    HN2  MUB 101           HN2      NAM   6  16.179  -4.748  -3.524
  674    H81  MUB 101           H81      NAM   6  17.065  -2.161  -3.600
  675    H82  MUB 101           H82      NAM   6  15.674  -2.424  -2.557
  676    H83  MUB 101           H83      NAM   6  15.579  -1.182  -3.800
  677    H3   MUB 101           H3       NAM   6  15.267  -3.791  -6.697
  678    H9   MUB 101           H9       NAM   6  16.001  -6.789  -6.707
  679   H111  MUB 101          H111      NAM   6  18.956  -6.370  -5.953
  680   H112  MUB 101          H112      NAM   6  18.233  -7.952  -6.061
  681   H113  MUB 101          H113      NAM   6  17.495  -6.844  -4.970
  682    H4A  MUB 101           H4       NAM   6  14.456  -6.421  -7.975
  683    H5   MUB 101           H5       NAM   6  12.409  -4.216  -7.703
  684    H61  MUB 101           H61      NAM   6  10.838  -5.804  -7.424
  685    H62  MUB 101           H62      NAM   6  11.943  -7.107  -6.842
  686    HO6  MUB 101           HO6      NAM   6  12.279  -5.884  -9.485
  687    H1   NAG 102           H1       NAG   7  15.563  -3.263  -8.277
  688    H2   NAG 102           H2       NAG   7  14.599  -3.328 -11.231
  689    H3   NAG 102           H3       NAG   7  16.213  -1.140  -9.788
  690    H4   NAG 102           H4       NAG   7  13.364  -0.843 -10.692
  691    H5   NAG 102           H5       NAG   7  14.463  -1.129  -7.697
  692    H61  NAG 102           H61      NAG   7  11.568  -0.963  -8.526
  693    H62  NAG 102           H62      NAG   7  12.567   0.371  -7.973
  694    H81  NAG 102           H81      NAG   7  19.572  -4.061  -9.697
  695    H82  NAG 102           H82      NAG   7  19.057  -3.993 -11.378
  696    H83  NAG 102           H83      NAG   7  18.563  -5.362 -10.386
  697    HN2  NAG 102           HN2      NAG   7  16.404  -4.284 -11.464
  698    HO3  NAG 102           HO3      NAG   7  16.327  -1.539 -12.059
  699    HO4  NAG 102           HO4      NAG   7  14.769   0.922 -10.535
  700    HO6  NAG 102           HO6      NAG   7  12.464  -2.092  -6.609
  701    H1   MUB 101           H1       NAM   6 -15.665   4.861  -2.302
  702    H2   MUB 101           H2       NAM   6 -16.945   3.350  -0.978
  703    HN2  MUB 101           HN2      NAM   6 -15.836   1.831   0.195
  704    H81  MUB 101           H81      NAM   6 -15.597  -0.688   0.287
  705    H82  MUB 101           H82      NAM   6 -13.941  -0.141   0.066
  706    H83  MUB 101           H83      NAM   6 -14.595  -1.335  -1.047
  707    H3   MUB 101           H3       NAM   6 -16.413   1.274  -3.207
  708    H9   MUB 101           H9       NAM   6 -18.130   3.688  -2.376
  709   H111  MUB 101          H111      NAM   6 -19.995   3.900  -0.563
  710   H112  MUB 101          H112      NAM   6 -18.663   2.812  -0.254
  711   H113  MUB 101          H113      NAM   6 -20.158   2.102  -0.741
  712    H4A  MUB 101           H4       NAM   6 -17.267   4.039  -4.161
  713    H5   MUB 101           H5       NAM   6 -14.609   2.874  -5.031
  714    H61  MUB 101           H61      NAM   6 -13.794   5.009  -5.236
  715    H62  MUB 101           H62      NAM   6 -15.096   5.741  -4.197
  716    HO6  MUB 101           HO6      NAM   6 -15.684   4.245  -6.652
  717    H1   NAG 102           H1       NAG   7 -17.357   0.716  -4.783
  718    H2   NAG 102           H2       NAG   7 -17.060   1.495  -7.826
  719    H3   NAG 102           H3       NAG   7 -17.536  -1.240  -6.514
  720    H4   NAG 102           H4       NAG   7 -15.005  -0.425  -7.910
  721    H5   NAG 102           H5       NAG   7 -15.453  -0.843  -4.769
  722    H61  NAG 102           H61      NAG   7 -12.975   0.120  -6.174
  723    H62  NAG 102           H62      NAG   7 -13.267  -1.466  -5.501
  724    H81  NAG 102           H81      NAG   7 -21.418   0.536  -7.308
  725    H82  NAG 102           H82      NAG   7 -21.246   1.999  -6.348
  726    H83  NAG 102           H83      NAG   7 -21.659   0.489  -5.539
  727    HN2  NAG 102           HN2      NAG   7 -19.063   1.757  -7.739
  728    HO3  NAG 102           HO3      NAG   7 -17.912  -0.219  -8.852
  729    HO4  NAG 102           HO4      NAG   7 -15.700  -2.587  -7.784
  730    HO6  NAG 102           HO6      NAG   7 -13.944   0.455  -3.736
  731    H1   MUB 101           H1       NAM   6  11.909   7.683   0.831
  732    H2   MUB 101           H2       NAM   6  13.790   8.776   1.691
  733    HN2  MUB 101           HN2      NAM   6  14.051   8.777   3.937
  734    H81  MUB 101           H81      NAM   6  14.053  10.493   5.841
  735    H82  MUB 101           H82      NAM   6  12.860   9.286   6.295
  736    H83  MUB 101           H83      NAM   6  12.381  10.978   6.274
  737    H3   MUB 101           H3       NAM   6  11.801  11.018   2.494
  738    H9   MUB 101           H9       NAM   6  13.441   9.751   0.200
  739   H111  MUB 101          H111      NAM   6  16.090  11.130   0.986
  740   H112  MUB 101          H112      NAM   6  15.986   9.848  -0.189
  741   H113  MUB 101          H113      NAM   6  15.404   9.490   1.391
  742    H4A  MUB 101           H4       NAM   6  11.464   9.792  -0.280
  743    H5   MUB 101           H5       NAM   6   9.224   9.796   1.812
  744    H61  MUB 101           H61      NAM   6   8.151   8.533   0.498
  745    H62  MUB 101           H62      NAM   6   9.424   7.286   0.299
  746    HO6  MUB 101           HO6      NAM   6   8.819   9.765  -1.148
  747    H1   NAG 102           H1       NAG   7  11.315  12.536   1.575
  748    H2   NAG 102           H2       NAG   7   9.000  13.496  -0.296
  749    H3   NAG 102           H3       NAG   7  10.444  15.077   1.920
  750    H4   NAG 102           H4       NAG   7   7.587  14.152   2.035
  751    H5   NAG 102           H5       NAG   7  10.099  13.037   3.682
  752    H61  NAG 102           H61      NAG   7   7.256  12.033   3.775
  753    H62  NAG 102           H62      NAG   7   8.057  13.057   4.948
  754    H81  NAG 102           H81      NAG   7  12.618  15.680  -1.793
  755    H82  NAG 102           H82      NAG   7  13.180  14.025  -1.991
  756    H83  NAG 102           H83      NAG   7  13.991  15.070  -0.827
  757    HN2  NAG 102           HN2      NAG   7  10.574  14.024  -1.507
  758    HO3  NAG 102           HO3      NAG   7   9.434  16.003   0.001
  759    HO4  NAG 102           HO4      NAG   7   8.310  16.004   3.123
  760    HO6  NAG 102           HO6      NAG   7   9.466  10.813   4.132
  Start of MODEL   20
    1    H    ZAE   1           HN1      DPH   1   8.837 -17.112   3.461
    2    HA   ZAE   1           HA       DPH   1   9.114 -16.152   1.233
    3    HB2  ZAE   1           HB1      DPH   1  10.439 -14.032   2.271
    4    HB3  ZAE   1           HB2      DPH   1  10.186 -14.986   3.728
    5    HD1  ZAE   1           HD1      DPH   1  11.192 -17.211   3.959
    6    HD2  ZAE   1           HD2      DPH   1  11.943 -14.770   0.550
    7    HE1  ZAE   1           HE1      DPH   1  13.140 -18.612   3.388
    8    HE2  ZAE   1           HE2      DPH   1  13.890 -16.158  -0.013
    9    HZ   ZAE   1           HZ       DPH   1  14.488 -18.081   1.398
   10    H11  ZAE   1          HN11      DPH   1   8.670 -15.242   4.829
   11    H12  ZAE   1          HN12      DPH   1   7.154 -16.139   4.924
   12    H13  ZAE   1          HN13      DPH   1   7.253 -14.678   3.940
   13    HN2  ZAE   1           HN2      DPH   1   7.367 -16.817   2.674
   14    H    ILE   2           HN       ILE   2   6.939 -15.536   0.498
   15    HA   ILE   2           HA       ILE   2   6.778 -12.670   0.131
   16    HB   ILE   2           HB       ILE   2   5.285 -15.023  -1.050
   17   HG12  ILE   2          HG12      ILE   2   6.982 -12.817  -2.243
   18   HG13  ILE   2          HG11      ILE   2   7.396 -14.520  -2.113
   19   HG21  ILE   2          HG21      ILE   2   3.850 -13.507  -2.318
   20   HG22  ILE   2          HG22      ILE   2   4.553 -12.126  -1.472
   21   HG23  ILE   2          HG23      ILE   2   3.604 -13.313  -0.582
   22   HD11  ILE   2          HD11      ILE   2   5.543 -15.040  -3.653
   23   HD12  ILE   2          HD12      ILE   2   6.798 -14.025  -4.366
   24   HD13  ILE   2          HD13      ILE   2   5.270 -13.310  -3.851
   25    H    SER   3           HN       SER   3   5.603 -11.381   1.369
   26    HA   SER   3           HA       SER   3   3.084 -12.272   2.486
   27    HB2  SER   3           HB2      SER   3   3.785 -11.137   4.728
   28    HB3  SER   3           HB1      SER   3   4.207 -12.816   4.424
   29    HG   SER   3           HG       SER   3   6.217 -11.551   3.492
   30    H    DAR   4           HN       DAR   4   1.939 -10.472   3.565
   31    HA   DAR   4           HA       DAR   4   2.206  -8.099   1.883
   32    HB2  DAR   4           HB1      DAR   4   2.328  -8.242   4.854
   33    HB3  DAR   4           HB2      DAR   4   1.603  -6.833   4.084
   34    HG2  DAR   4           HG1      DAR   4   3.950  -7.233   2.693
   35    HG3  DAR   4           HG2      DAR   4   4.375  -7.572   4.373
   36    HD2  DAR   4           HD1      DAR   4   2.777  -5.151   3.644
   37    HD3  DAR   4           HD2      DAR   4   4.537  -5.142   3.509
   38    HE   DAR   4           HE       DAR   4   3.624  -6.096   6.036
   39   HH11  DAR   4          HH21      DAR   4   4.239  -3.072   7.704
   40   HH12  DAR   4          HH22      DAR   4   3.829  -4.813   7.900
   41   HH21  DAR   4          HH11      DAR   4   4.496  -2.177   5.605
   42   HH22  DAR   4          HH12      DAR   4   4.420  -3.243   4.158
   43    HA   28J   5           HA       28J   5  -2.072  -8.332   2.617
   44    H22  28J   5           HB       28J   5  -3.275  -8.678   0.303
   45    H23  28J   5          HG21      28J   5  -1.365  -8.056  -1.074
   46    H24  28J   5          HG22      28J   5  -1.792  -9.743  -1.356
   47    H25  28J   5          HG23      28J   5  -0.399  -9.340  -0.350
   48    H26  28J   5          HG11      28J   5  -1.540 -10.610   1.821
   49    H27  28J   5          HG12      28J   5  -2.372 -11.139   0.362
   50    H28  28J   5          HD11      28J   5  -4.510 -10.591   1.329
   51    H29  28J   5          HD12      28J   5  -3.723  -9.954   2.773
   52    H30  28J   5          HD13      28J   5  -3.619 -11.674   2.398
   53    H    ILE   6           HN       ILE   6  -4.086  -7.247   1.564
   54    HA   ILE   6           HA       ILE   6  -3.629  -4.381   1.581
   55    HB   ILE   6           HB       ILE   6  -3.312  -4.909  -0.754
   56   HG12  ILE   6          HG12      ILE   6  -6.088  -3.786  -0.755
   57   HG13  ILE   6          HG11      ILE   6  -4.799  -2.895   0.046
   58   HG21  ILE   6          HG21      ILE   6  -5.825  -6.497  -0.460
   59   HG22  ILE   6          HG22      ILE   6  -4.305  -6.923  -1.249
   60   HG23  ILE   6          HG23      ILE   6  -5.416  -5.797  -2.027
   61   HD11  ILE   6          HD11      ILE   6  -4.792  -3.772  -2.818
   62   HD12  ILE   6          HD12      ILE   6  -3.562  -2.798  -2.009
   63   HD13  ILE   6          HD13      ILE   6  -5.192  -2.158  -2.233
   64    H    SER   7           HN       SER   7  -5.333  -3.247   2.460
   65    HA   SER   7           HA       SER   7  -8.066  -4.271   2.354
   66    HB2  SER   7           HB2      SER   7  -8.226  -3.786   4.936
   67    HB3  SER   7           HB1      SER   7  -7.658  -5.366   4.385
   68    HG   SER   7           HG       SER   7  -5.513  -4.014   4.470
   69    H    DTH   8           HN       DTC   8  -9.654  -2.657   3.239
   70    HA   DTH   8           HA       DTC   8  -8.786   0.004   2.695
   71    HB   DTH   8           HB       DTC   8  -9.495   1.098   4.744
   72   HG21  DTH   8          HG21      DTC   8  -7.183   0.290   4.776
   73   HG22  DTH   8          HG22      DTC   8  -7.701  -1.279   5.397
   74   HG23  DTH   8          HG23      DTC   8  -7.888   0.167   6.387
   75    H    ALA   9           HN       ALA   9 -11.202  -2.178   2.400
   76    HA   ALA   9           HA       ALA   9 -13.563  -0.809   1.921
   77    HB1  ALA   9           HB1      ALA   9 -13.020  -2.830   0.781
   78    HB2  ALA   9           HB2      ALA   9 -14.434  -3.135   1.794
   79    HB3  ALA   9           HB3      ALA   9 -12.843  -3.687   2.315
   80    H    LEU  10           HN       LEU  10 -12.629  -3.126   4.363
   81    HA   LEU  10           HA       LEU  10 -15.112  -3.070   5.879
   82    HB2  LEU  10           HB2      LEU  10 -12.736  -4.141   7.309
   83    HB3  LEU  10           HB1      LEU  10 -14.344  -4.802   7.155
   84    HG   LEU  10           HG       LEU  10 -12.916  -6.392   6.198
   85   HD11  LEU  10          HD11      LEU  10 -14.965  -5.801   4.948
   86   HD12  LEU  10          HD12      LEU  10 -13.695  -6.530   3.964
   87   HD13  LEU  10          HD13      LEU  10 -13.972  -4.792   3.902
   88   HD21  LEU  10          HD21      LEU  10 -11.446  -4.050   5.233
   89   HD22  LEU  10          HD22      LEU  10 -11.575  -5.368   4.066
   90   HD23  LEU  10          HD23      LEU  10 -10.880  -5.665   5.660
   91    H    ILE  11           HN       ILE  11 -12.128  -1.514   5.736
   92    HA   ILE  11           HA       ILE  11 -12.624   0.384   7.762
   93    HB   ILE  11           HB       ILE  11 -10.626  -1.773   8.593
   94   HG12  ILE  11          HG12      ILE  11 -12.961  -0.660  10.189
   95   HG13  ILE  11          HG11      ILE  11 -13.003  -2.194   9.327
   96   HG21  ILE  11          HG21      ILE  11 -11.102   0.927   9.837
   97   HG22  ILE  11          HG22      ILE  11  -9.674   0.437   8.925
   98   HG23  ILE  11          HG23      ILE  11 -10.041  -0.330  10.470
   99   HD11  ILE  11          HD11      ILE  11 -12.600  -2.523  11.709
  100   HD12  ILE  11          HD12      ILE  11 -11.162  -1.505  11.625
  101   HD13  ILE  11          HD13      ILE  11 -11.203  -3.045  10.768
  102    H    ZAE   1           HN1      DPH   1  -7.564   6.145   3.533
  103    HA   ZAE   1           HA       DPH   1  -8.827   4.490   2.568
  104    HB2  ZAE   1           HB1      DPH   1  -9.172   2.877   4.697
  105    HB3  ZAE   1           HB2      DPH   1  -8.333   4.213   5.470
  106    HD1  ZAE   1           HD1      DPH   1  -9.284   6.562   5.028
  107    HD2  ZAE   1           HD2      DPH   1 -11.440   2.949   4.429
  108    HE1  ZAE   1           HE1      DPH   1 -11.392   7.795   5.281
  109    HE2  ZAE   1           HE2      DPH   1 -13.560   4.171   4.660
  110    HZ   ZAE   1           HZ       DPH   1 -13.541   6.604   5.097
  111    H11  ZAE   1          HN11      DPH   1  -6.484   3.989   5.139
  112    H12  ZAE   1          HN12      DPH   1  -7.152   5.546   5.642
  113    H13  ZAE   1          HN13      DPH   1  -5.544   5.468   4.915
  114    HN2  ZAE   1           HN2      DPH   1  -6.393   5.138   2.831
  115    H    ILE   2           HN       ILE   2  -7.362   3.446   1.045
  116    HA   ILE   2           HA       ILE   2  -7.081   0.691   1.832
  117    HB   ILE   2           HB       ILE   2  -7.470   2.101  -0.615
  118   HG12  ILE   2          HG12      ILE   2  -7.355  -0.871  -0.121
  119   HG13  ILE   2          HG11      ILE   2  -8.719   0.148   0.317
  120   HG21  ILE   2          HG21      ILE   2  -5.077   1.942  -0.994
  121   HG22  ILE   2          HG22      ILE   2  -5.938   0.861  -2.093
  122   HG23  ILE   2          HG23      ILE   2  -5.129   0.210  -0.669
  123   HD11  ILE   2          HD11      ILE   2  -7.663  -0.261  -2.451
  124   HD12  ILE   2          HD12      ILE   2  -9.058   0.723  -2.000
  125   HD13  ILE   2          HD13      ILE   2  -9.094  -1.025  -1.759
  126    H    SER   3           HN       SER   3  -5.347  -0.323   2.326
  127    HA   SER   3           HA       SER   3  -2.730   0.708   1.698
  128    HB2  SER   3           HB2      SER   3  -1.989   0.316   4.086
  129    HB3  SER   3           HB1      SER   3  -2.926   1.777   3.791
  130    HG   SER   3           HG       SER   3  -4.437  -0.425   4.449
  131    H    DAR   4           HN       DAR   4  -1.081  -0.766   2.431
  132    HA   DAR   4           HA       DAR   4  -1.900  -3.486   1.787
  133    HB2  DAR   4           HB1      DAR   4  -0.763  -2.568   4.358
  134    HB3  DAR   4           HB2      DAR   4  -0.055  -4.023   3.675
  135    HG2  DAR   4           HG1      DAR   4  -2.694  -4.577   3.435
  136    HG3  DAR   4           HG2      DAR   4  -2.676  -3.592   4.900
  137    HD2  DAR   4           HD1      DAR   4  -0.784  -5.880   4.484
  138    HD3  DAR   4           HD2      DAR   4  -2.383  -6.100   5.193
  139    HE   DAR   4           HE       DAR   4  -0.696  -4.094   6.426
  140   HH11  DAR   4          HH21      DAR   4  -0.523  -5.973   9.387
  141   HH12  DAR   4          HH22      DAR   4  -0.169  -4.386   8.618
  142   HH21  DAR   4          HH11      DAR   4  -1.494  -7.659   8.162
  143   HH22  DAR   4          HH12      DAR   4  -1.917  -7.384   6.435
  144    HA   28J   5           HA       28J   5   2.361  -3.399   0.576
  145    H22  28J   5           HB       28J   5   2.303  -3.810  -1.962
  146    H23  28J   5          HG21      28J   5   0.099  -3.590  -3.008
  147    H24  28J   5          HG22      28J   5  -0.659  -3.676  -1.417
  148    H25  28J   5          HG23      28J   5   0.230  -5.063  -2.048
  149    H26  28J   5          HG11      28J   5   2.274  -1.566  -0.767
  150    H27  28J   5          HG12      28J   5   0.525  -1.582  -0.959
  151    H28  28J   5          HD11      28J   5   2.511  -1.666  -3.219
  152    H29  28J   5          HD12      28J   5   1.638  -0.234  -2.672
  153    H30  28J   5          HD13      28J   5   0.755  -1.595  -3.365
  154    H    ILE   6           HN       ILE   6   3.987  -4.760  -0.515
  155    HA   ILE   6           HA       ILE   6   3.583  -7.544   0.093
  156    HB   ILE   6           HB       ILE   6   2.431  -7.392  -2.063
  157   HG12  ILE   6          HG12      ILE   6   4.940  -9.046  -2.102
  158   HG13  ILE   6          HG11      ILE   6   3.346  -9.539  -1.538
  159   HG21  ILE   6          HG21      ILE   6   3.568  -7.084  -4.181
  160   HG22  ILE   6          HG22      ILE   6   5.069  -6.682  -3.347
  161   HG23  ILE   6          HG23      ILE   6   3.662  -5.627  -3.194
  162   HD11  ILE   6          HD11      ILE   6   2.518  -9.398  -3.831
  163   HD12  ILE   6          HD12      ILE   6   3.887 -10.507  -3.699
  164   HD13  ILE   6          HD13      ILE   6   4.114  -8.893  -4.377
  165    H    SER   7           HN       SER   7   5.467  -8.797   0.187
  166    HA   SER   7           HA       SER   7   7.949  -7.632  -0.730
  167    HB2  SER   7           HB2      SER   7   8.838  -7.975   1.734
  168    HB3  SER   7           HB1      SER   7   8.121  -6.448   1.216
  169    HG   SER   7           HG       SER   7   6.212  -8.103   2.014
  170    H    DTH   8           HN       DTC   8   9.836  -8.987  -0.249
  171    HA   DTH   8           HA       DTC   8   9.119 -11.847  -0.075
  172    HB   DTH   8           HB       DTC   8  11.117 -12.360   1.195
  173   HG21  DTH   8          HG21      DTC   8   9.862  -9.803   2.278
  174   HG22  DTH   8          HG22      DTC   8  10.765 -10.994   3.215
  175   HG23  DTH   8          HG23      DTC   8   9.220 -11.431   2.488
  176    H    ALA   9           HN       ALA   9  10.978  -9.397  -1.709
  177    HA   ALA   9           HA       ALA   9  11.641 -11.265  -3.867
  178    HB1  ALA   9           HB1      ALA   9  11.924  -8.245  -3.729
  179    HB2  ALA   9           HB2      ALA   9  10.722  -9.153  -4.643
  180    HB3  ALA   9           HB3      ALA   9  12.419  -9.238  -5.100
  181    H    LEU  10           HN       LEU  10  13.199  -8.513  -2.380
  182    HA   LEU  10           HA       LEU  10  15.809  -9.765  -2.800
  183    HB2  LEU  10           HB2      LEU  10  16.603  -7.575  -1.648
  184    HB3  LEU  10           HB1      LEU  10  16.000  -7.527  -3.292
  185    HG   LEU  10           HG       LEU  10  15.203  -5.650  -1.863
  186   HD11  LEU  10          HD11      LEU  10  12.726  -7.042  -2.521
  187   HD12  LEU  10          HD12      LEU  10  13.931  -7.030  -3.810
  188   HD13  LEU  10          HD13      LEU  10  13.367  -5.511  -3.115
  189   HD21  LEU  10          HD21      LEU  10  13.357  -6.090  -0.289
  190   HD22  LEU  10          HD22      LEU  10  14.895  -6.755   0.252
  191   HD23  LEU  10          HD23      LEU  10  13.667  -7.822  -0.428
  192    H    ILE  11           HN       ILE  11  13.433  -9.440  -0.421
  193    HA   ILE  11           HA       ILE  11  15.278 -10.779   1.446
  194    HB   ILE  11           HB       ILE  11  13.846  -8.213   2.106
  195   HG12  ILE  11          HG12      ILE  11  16.619  -9.307   2.652
  196   HG13  ILE  11          HG11      ILE  11  16.205  -7.984   1.567
  197   HG21  ILE  11          HG21      ILE  11  14.695 -10.352   4.050
  198   HG22  ILE  11          HG22      ILE  11  13.043  -9.824   3.727
  199   HG23  ILE  11          HG23      ILE  11  14.188  -8.722   4.493
  200   HD11  ILE  11          HD11      ILE  11  15.873  -6.501   3.306
  201   HD12  ILE  11          HD12      ILE  11  17.212  -7.481   3.901
  202   HD13  ILE  11          HD13      ILE  11  15.575  -7.781   4.481
  203    H    ZAE   1           HN1      DPH   1   8.216  -5.956   3.490
  204    HA   ZAE   1           HA       DPH   1   8.842  -4.697   1.604
  205    HB2  ZAE   1           HB1      DPH   1   9.913  -2.706   2.912
  206    HB3  ZAE   1           HB2      DPH   1   9.274  -3.550   4.313
  207    HD1  ZAE   1           HD1      DPH   1   9.982  -5.924   4.716
  208    HD2  ZAE   1           HD2      DPH   1  11.910  -3.362   1.924
  209    HE1  ZAE   1           HE1      DPH   1  11.995  -7.322   4.856
  210    HE2  ZAE   1           HE2      DPH   1  13.923  -4.780   2.016
  211    HZ   ZAE   1           HZ       DPH   1  13.972  -6.755   3.499
  212    H11  ZAE   1          HN11      DPH   1   7.008  -3.446   4.337
  213    H12  ZAE   1          HN12      DPH   1   8.027  -4.567   5.247
  214    H13  ZAE   1          HN13      DPH   1   6.347  -4.983   4.901
  215    HN2  ZAE   1           HN2      DPH   1   6.812  -5.422   2.696
  216    H    ILE   2           HN       ILE   2   7.128  -4.001   0.314
  217    HA   ILE   2           HA       ILE   2   6.865  -1.140   0.572
  218    HB   ILE   2           HB       ILE   2   6.953  -2.918  -1.586
  219   HG12  ILE   2          HG12      ILE   2   6.372   0.045  -1.494
  220   HG13  ILE   2          HG11      ILE   2   7.963  -0.706  -1.478
  221   HG21  ILE   2          HG21      ILE   2   4.479  -3.154  -1.292
  222   HG22  ILE   2          HG22      ILE   2   4.964  -2.502  -2.860
  223   HG23  ILE   2          HG23      ILE   2   4.342  -1.430  -1.617
  224   HD11  ILE   2          HD11      ILE   2   7.586  -1.582  -3.692
  225   HD12  ILE   2          HD12      ILE   2   7.412   0.173  -3.656
  226   HD13  ILE   2          HD13      ILE   2   5.979  -0.856  -3.716
  227    H    SER   3           HN       SER   3   5.279  -0.089   1.264
  228    HA   SER   3           HA       SER   3   2.615  -1.185   1.377
  229    HB2  SER   3           HB2      SER   3   2.413  -0.326   3.776
  230    HB3  SER   3           HB1      SER   3   3.208  -1.876   3.529
  231    HG   SER   3           HG       SER   3   4.706   0.515   3.640
  232    H    DAR   4           HN       DAR   4   1.089   0.387   2.079
  233    HA   DAR   4           HA       DAR   4   1.687   2.972   0.881
  234    HB2  DAR   4           HB1      DAR   4   1.047   2.533   3.744
  235    HB3  DAR   4           HB2      DAR   4   0.262   3.882   2.949
  236    HG2  DAR   4           HG1      DAR   4   2.908   4.157   2.221
  237    HG3  DAR   4           HG2      DAR   4   2.979   3.604   3.895
  238    HD2  DAR   4           HD1      DAR   4   1.026   5.731   3.249
  239    HD3  DAR   4           HD2      DAR   4   2.733   6.173   3.252
  240    HE   DAR   4           HE       DAR   4   1.973   4.713   5.585
  241   HH11  DAR   4          HH21      DAR   4   1.939   7.578   7.622
  242   HH12  DAR   4          HH22      DAR   4   1.968   5.780   7.598
  243   HH21  DAR   4          HH11      DAR   4   1.921   8.758   5.654
  244   HH22  DAR   4          HH12      DAR   4   1.949   7.886   4.080
  245    HA   28J   5           HA       28J   5  -2.734   2.642   0.544
  246    H22  28J   5           HB       28J   5  -3.094   2.661  -2.027
  247    H23  28J   5          HG21      28J   5  -0.085   2.476  -1.916
  248    H24  28J   5          HG22      28J   5  -1.017   3.802  -2.612
  249    H25  28J   5          HG23      28J   5  -1.086   2.197  -3.340
  250    H26  28J   5          HG11      28J   5  -2.954   0.661  -0.493
  251    H27  28J   5          HG12      28J   5  -1.241   0.567  -0.885
  252    H28  28J   5          HD11      28J   5  -2.601  -1.006  -2.185
  253    H29  28J   5          HD12      28J   5  -1.751   0.155  -3.206
  254    H30  28J   5          HD13      28J   5  -3.474   0.355  -2.887
  255    H    ILE   6           HN       ILE   6  -4.575   3.762  -0.625
  256    HA   ILE   6           HA       ILE   6  -4.300   6.628  -0.422
  257    HB   ILE   6           HB       ILE   6  -3.365   6.426  -2.597
  258   HG12  ILE   6          HG12      ILE   6  -6.206   7.268  -3.105
  259   HG13  ILE   6          HG11      ILE   6  -5.085   8.245  -2.168
  260   HG21  ILE   6          HG21      ILE   6  -5.292   5.514  -4.366
  261   HG22  ILE   6          HG22      ILE   6  -5.351   4.349  -3.046
  262   HG23  ILE   6          HG23      ILE   6  -3.830   4.660  -3.884
  263   HD11  ILE   6          HD11      ILE   6  -5.360   8.891  -4.560
  264   HD12  ILE   6          HD12      ILE   6  -4.574   7.368  -4.991
  265   HD13  ILE   6          HD13      ILE   6  -3.702   8.577  -4.048
  266    H    SER   7           HN       SER   7  -6.219   7.789  -0.361
  267    HA   SER   7           HA       SER   7  -8.748   6.517  -0.922
  268    HB2  SER   7           HB2      SER   7  -9.551   6.586   1.401
  269    HB3  SER   7           HB1      SER   7  -8.170   5.492   1.241
  270    HG   SER   7           HG       SER   7  -7.790   8.182   1.881
  271    H    DTH   8           HN       DTC   8 -10.635   7.887  -0.140
  272    HA   DTH   8           HA       DTC   8  -9.966  10.695  -0.271
  273    HB   DTH   8           HB       DTC   8 -11.280  11.380   1.600
  274   HG21  DTH   8          HG21      DTC   8 -10.267  10.236   3.480
  275   HG22  DTH   8          HG22      DTC   8  -9.079  10.262   2.174
  276   HG23  DTH   8          HG23      DTC   8  -9.981   8.786   2.518
  277    H    ALA   9           HN       ALA   9 -12.024   8.331  -1.499
  278    HA   ALA   9           HA       ALA   9 -13.696   9.981  -3.080
  279    HB1  ALA   9           HB1      ALA   9 -14.580   7.364  -3.302
  280    HB2  ALA   9           HB2      ALA   9 -12.846   7.233  -2.988
  281    HB3  ALA   9           HB3      ALA   9 -13.426   8.205  -4.339
  282    H    LEU  10           HN       LEU  10 -14.239   7.616  -0.542
  283    HA   LEU  10           HA       LEU  10 -17.172   8.005  -0.474
  284    HB2  LEU  10           HB2      LEU  10 -16.949   6.380   1.617
  285    HB3  LEU  10           HB1      LEU  10 -16.933   5.743  -0.008
  286    HG   LEU  10           HG       LEU  10 -14.700   5.159   0.069
  287   HD11  LEU  10          HD11      LEU  10 -13.543   7.022   0.673
  288   HD12  LEU  10          HD12      LEU  10 -13.297   5.995   2.087
  289   HD13  LEU  10          HD13      LEU  10 -14.501   7.280   2.126
  290   HD21  LEU  10          HD21      LEU  10 -14.447   3.800   1.959
  291   HD22  LEU  10          HD22      LEU  10 -16.186   3.922   1.689
  292   HD23  LEU  10          HD23      LEU  10 -15.423   4.875   2.960
  293    H    ILE  11           HN       ILE  11 -14.254   8.824   0.951
  294    HA   ILE  11           HA       ILE  11 -15.413  10.564   2.919
  295    HB   ILE  11           HB       ILE  11 -13.956   8.076   3.898
  296   HG12  ILE  11          HG12      ILE  11 -16.401   9.466   5.057
  297   HG13  ILE  11          HG11      ILE  11 -16.477   8.059   4.003
  298   HG21  ILE  11          HG21      ILE  11 -13.596   9.164   6.037
  299   HG22  ILE  11          HG22      ILE  11 -14.277  10.663   5.406
  300   HG23  ILE  11          HG23      ILE  11 -12.772  10.031   4.742
  301   HD11  ILE  11          HD11      ILE  11 -15.433   6.678   5.661
  302   HD12  ILE  11          HD12      ILE  11 -16.733   7.570   6.449
  303   HD13  ILE  11          HD13      ILE  11 -15.058   8.074   6.671
  304    H    ZAE   1           HN1      DPH   1  -9.148  16.472   2.497
  305    HA   ZAE   1           HA       DPH   1  -9.868  15.088   0.637
  306    HB2  ZAE   1           HB1      DPH   1 -10.773  13.142   2.265
  307    HB3  ZAE   1           HB2      DPH   1 -10.254  14.311   3.474
  308    HD1  ZAE   1           HD1      DPH   1 -11.408  16.412   3.760
  309    HD2  ZAE   1           HD2      DPH   1 -12.589  13.674   0.702
  310    HE1  ZAE   1           HE1      DPH   1 -13.516  17.658   3.460
  311    HE2  ZAE   1           HE2      DPH   1 -14.696  14.919   0.396
  312    HZ   ZAE   1           HZ       DPH   1 -15.164  16.911   1.777
  313    H11  ZAE   1          HN11      DPH   1  -7.323  14.236   3.071
  314    H12  ZAE   1          HN12      DPH   1  -8.582  14.880   4.126
  315    H13  ZAE   1          HN13      DPH   1  -7.167  15.862   3.741
  316    HN2  ZAE   1           HN2      DPH   1  -7.868  16.035   1.480
  317    H    ILE   2           HN       ILE   2  -7.713  14.480  -0.344
  318    HA   ILE   2           HA       ILE   2  -7.565  11.593  -0.372
  319    HB   ILE   2           HB       ILE   2  -6.946  13.718  -2.229
  320   HG12  ILE   2          HG12      ILE   2  -6.852  10.727  -2.681
  321   HG13  ILE   2          HG11      ILE   2  -8.343  11.654  -2.600
  322   HG21  ILE   2          HG21      ILE   2  -4.710  11.699  -1.974
  323   HG22  ILE   2          HG22      ILE   2  -4.618  13.376  -1.435
  324   HG23  ILE   2          HG23      ILE   2  -4.845  13.013  -3.144
  325   HD11  ILE   2          HD11      ILE   2  -7.640  11.189  -4.886
  326   HD12  ILE   2          HD12      ILE   2  -6.153  12.097  -4.604
  327   HD13  ILE   2          HD13      ILE   2  -7.714  12.917  -4.542
  328    H    SER   3           HN       SER   3  -6.022  10.400   0.604
  329    HA   SER   3           HA       SER   3  -3.460  11.568   1.236
  330    HB2  SER   3           HB2      SER   3  -5.045  10.337   3.487
  331    HB3  SER   3           HB1      SER   3  -3.434  11.032   3.583
  332    HG   SER   3           HG       SER   3  -4.948  12.925   2.626
  333    H    DAR   4           HN       DAR   4  -2.044   9.864   2.338
  334    HA   DAR   4           HA       DAR   4  -2.366   7.411   0.763
  335    HB2  DAR   4           HB1      DAR   4  -2.013   7.689   3.706
  336    HB3  DAR   4           HB2      DAR   4  -1.285   6.314   2.882
  337    HG2  DAR   4           HG1      DAR   4  -3.790   6.291   1.857
  338    HG3  DAR   4           HG2      DAR   4  -4.080   6.889   3.493
  339    HD2  DAR   4           HD1      DAR   4  -2.498   4.416   2.825
  340    HD3  DAR   4           HD2      DAR   4  -4.198   4.417   3.302
  341    HE   DAR   4           HE       DAR   4  -2.266   5.676   5.081
  342   HH11  DAR   4          HH21      DAR   4  -3.000   3.372   7.619
  343   HH12  DAR   4          HH22      DAR   4  -2.080   4.857   7.189
  344   HH21  DAR   4          HH11      DAR   4  -4.279   2.305   6.031
  345   HH22  DAR   4          HH12      DAR   4  -4.457   3.022   4.390
  346    HA   28J   5           HA       28J   5   2.016   7.729   0.869
  347    H22  28J   5           HB       28J   5   2.748   7.854  -1.647
  348    H23  28J   5          HG21      28J   5  -0.242   8.233  -1.855
  349    H24  28J   5          HG22      28J   5   0.689   6.916  -2.570
  350    H25  28J   5          HG23      28J   5   0.924   8.571  -3.136
  351    H26  28J   5          HG11      28J   5   1.280   9.816   0.040
  352    H27  28J   5          HG12      28J   5   1.477  10.233  -1.660
  353    H28  28J   5          HD11      28J   5   3.857  10.127  -1.482
  354    H29  28J   5          HD12      28J   5   3.752   9.498   0.162
  355    H30  28J   5          HD13      28J   5   3.239  11.149  -0.184
  356    H    ILE   6           HN       ILE   6   3.900   6.628  -0.394
  357    HA   ILE   6           HA       ILE   6   3.668   3.758  -0.011
  358    HB   ILE   6           HB       ILE   6   2.938   3.989  -2.305
  359   HG12  ILE   6          HG12      ILE   6   5.801   3.002  -2.323
  360   HG13  ILE   6          HG11      ILE   6   4.431   2.065  -1.744
  361   HG21  ILE   6          HG21      ILE   6   3.926   6.185  -2.787
  362   HG22  ILE   6          HG22      ILE   6   4.276   5.013  -4.059
  363   HG23  ILE   6          HG23      ILE   6   5.520   5.439  -2.886
  364   HD11  ILE   6          HD11      ILE   6   5.074   1.417  -3.978
  365   HD12  ILE   6          HD12      ILE   6   4.847   3.076  -4.537
  366   HD13  ILE   6          HD13      ILE   6   3.464   2.136  -3.971
  367    H    SER   7           HN       SER   7   5.572   2.810   0.624
  368    HA   SER   7           HA       SER   7   8.166   4.034   0.031
  369    HB2  SER   7           HB2      SER   7   8.683   3.634   2.618
  370    HB3  SER   7           HB1      SER   7   8.037   5.178   2.049
  371    HG   SER   7           HG       SER   7   5.938   3.794   2.439
  372    H    DTH   8           HN       DTC   8   9.943   2.618   0.506
  373    HA   DTH   8           HA       DTC   8   9.227  -0.214   0.414
  374    HB   DTH   8           HB       DTC   8  10.738  -0.943   2.185
  375   HG21  DTH   8          HG21      DTC   8   8.460  -0.417   2.872
  376   HG22  DTH   8          HG22      DTC   8   8.902   1.266   3.170
  377   HG23  DTH   8          HG23      DTC   8   9.592  -0.021   4.161
  378    H    ALA   9           HN       ALA   9  11.295   2.448  -0.212
  379    HA   ALA   9           HA       ALA   9  13.131   0.965  -1.587
  380    HB1  ALA   9           HB1      ALA   9  12.983   2.763  -2.943
  381    HB2  ALA   9           HB2      ALA   9  13.390   3.847  -1.623
  382    HB3  ALA   9           HB3      ALA   9  11.714   3.358  -1.874
  383    H    LEU  10           HN       LEU  10  13.592   3.913   0.225
  384    HA   LEU  10           HA       LEU  10  16.081   3.504   1.316
  385    HB2  LEU  10           HB2      LEU  10  15.713   5.449   2.432
  386    HB3  LEU  10           HB1      LEU  10  14.314   5.508   1.382
  387    HG   LEU  10           HG       LEU  10  13.895   4.154   3.963
  388   HD11  LEU  10          HD11      LEU  10  14.374   7.107   3.743
  389   HD12  LEU  10          HD12      LEU  10  15.402   5.946   4.584
  390   HD13  LEU  10          HD13      LEU  10  13.766   6.260   5.163
  391   HD21  LEU  10          HD21      LEU  10  12.383   5.659   1.981
  392   HD22  LEU  10          HD22      LEU  10  12.015   6.144   3.636
  393   HD23  LEU  10          HD23      LEU  10  11.832   4.460   3.145
  394    H    ILE  11           HN       ILE  11  13.090   2.359   2.357
  395    HA   ILE  11           HA       ILE  11  14.231   0.669   4.407
  396    HB   ILE  11           HB       ILE  11  13.645   3.046   5.485
  397   HG12  ILE  11          HG12      ILE  11  12.664   0.603   6.966
  398   HG13  ILE  11          HG11      ILE  11  14.376   0.854   6.646
  399   HG21  ILE  11          HG21      ILE  11  10.996   1.611   5.620
  400   HG22  ILE  11          HG22      ILE  11  11.335   3.042   4.646
  401   HG23  ILE  11          HG23      ILE  11  11.407   3.135   6.405
  402   HD11  ILE  11          HD11      ILE  11  13.744   1.588   8.894
  403   HD12  ILE  11          HD12      ILE  11  12.591   2.728   8.200
  404   HD13  ILE  11          HD13      ILE  11  14.319   2.936   7.916
  405    H1   ALA   1           HN       ALA   1 -18.821  -8.806   1.832
  406    HA   ALA   1           HA       ALA   1 -19.959 -10.019   4.086
  407    HB1  ALA   1           HB1      ALA   1 -20.251  -7.740   4.913
  408    HB2  ALA   1           HB2      ALA   1 -21.802  -8.572   4.671
  409    HB3  ALA   1           HB3      ALA   1 -21.235  -7.376   3.498
  410    H    DGL   2           HN       DGL   2 -22.184 -10.856   3.746
  411    HA   DGL   2           HA       DGL   2 -24.019 -11.310   2.488
  412    HB2  DGL   2           HB1      DGL   2 -23.045 -11.969  -0.047
  413    HB3  DGL   2           HB2      DGL   2 -23.195 -13.081   1.310
  414    HG2  DGL   2           HG1      DGL   2 -20.959 -13.489   1.248
  415    HG3  DGL   2           HG2      DGL   2 -20.570 -11.815   1.635
  416    H    LYS   3           HN       LYS   3 -20.594 -10.356  -0.294
  417    HA   LYS   3           HA       LYS   3 -19.662  -9.663  -2.112
  418    HB2  LYS   3           HB2      LYS   3 -17.949 -11.415  -1.259
  419    HB3  LYS   3           HB1      LYS   3 -18.306 -12.210  -2.804
  420    HG2  LYS   3           HG2      LYS   3 -17.866  -9.253  -2.776
  421    HG3  LYS   3           HG1      LYS   3 -16.464 -10.284  -2.562
  422    HD2  LYS   3           HD2      LYS   3 -16.191 -10.505  -4.779
  423    HD3  LYS   3           HD1      LYS   3 -17.692 -11.359  -4.744
  424    HE2  LYS   3           HE2      LYS   3 -17.596  -8.455  -5.265
  425    HE3  LYS   3           HE1      LYS   3 -17.839  -9.990  -6.451
  426    HZ1  LYS   3           HZ1      LYS   3 -19.747  -8.884  -6.783
  427    HZ2  LYS   3           HZ2      LYS   3 -19.797  -8.342  -5.197
  428    HZ3  LYS   3           HZ3      LYS   3 -20.057  -9.939  -5.518
  429    H    DAL   4           HN       DAL   4 -22.131 -10.447  -2.014
  430    HA   DAL   4           HA       DAL   4 -24.369 -10.408  -3.343
  431    HB1  DAL   4           HB1      DAL   4 -23.523 -12.597  -4.907
  432    HB2  DAL   4           HB2      DAL   4 -25.124 -11.895  -4.718
  433    HB3  DAL   4           HB3      DAL   4 -24.342 -12.734  -3.323
  434    H    DAL   5           HN       DAL   5 -23.378  -8.077  -3.244
  435    HA   DAL   5           HA       DAL   5 -23.006  -5.710  -4.325
  436    HB1  DAL   5           HB1      DAL   5 -24.923  -6.815  -5.566
  437    HB2  DAL   5           HB2      DAL   5 -23.792  -7.815  -6.453
  438    HB3  DAL   5           HB3      DAL   5 -23.908  -6.076  -6.821
  439    H1   ALA   1           HN       ALA   1  12.190  -1.379  -8.058
  440    HA   ALA   1           HA       ALA   1  12.453   0.574 -10.058
  441    HB1  ALA   1           HB1      ALA   1  11.741   2.081  -8.193
  442    HB2  ALA   1           HB2      ALA   1  13.282   2.504  -8.970
  443    HB3  ALA   1           HB3      ALA   1  13.265   1.682  -7.406
  444    H    DGL   2           HN       DGL   2  14.940   1.832  -8.923
  445    HA   DGL   2           HA       DGL   2  17.160   1.306  -8.416
  446    HB2  DGL   2           HB1      DGL   2  17.876  -0.877  -9.808
  447    HB3  DGL   2           HB2      DGL   2  17.742   0.719 -10.533
  448    HG2  DGL   2           HG1      DGL   2  16.147   0.024 -11.990
  449    HG3  DGL   2           HG2      DGL   2  15.123  -0.690 -10.748
  450    H    LYS   3           HN       LYS   3  16.930  -2.629  -9.853
  451    HA   LYS   3           HA       LYS   3  17.384  -4.718 -10.113
  452    HB2  LYS   3           HB2      LYS   3  15.238  -4.315 -11.739
  453    HB3  LYS   3           HB1      LYS   3  16.333  -5.261 -12.765
  454    HG2  LYS   3           HG2      LYS   3  15.616  -5.944  -9.909
  455    HG3  LYS   3           HG1      LYS   3  14.819  -6.636 -11.309
  456    HD2  LYS   3           HD2      LYS   3  16.247  -8.402 -10.918
  457    HD3  LYS   3           HD1      LYS   3  17.154  -7.397 -11.992
  458    HE2  LYS   3           HE1      LYS   3  18.790  -8.055 -10.601
  459    HE3  LYS   3           HE2      LYS   3  18.138  -6.318  -9.985
  460    HZ1  LYS   3           HZ1      LYS   3  17.383  -7.537  -8.005
  461    HZ2  LYS   3           HZ2      LYS   3  19.062  -7.178  -8.160
  462    HZ3  LYS   3           HZ3      LYS   3  18.461  -8.723  -8.497
  463    H    DAL   4           HN       DAL   4  19.261  -3.431 -10.044
  464    HA   DAL   4           HA       DAL   4  21.839  -3.026 -10.490
  465    HB1  DAL   4           HB1      DAL   4  21.714  -3.880 -13.173
  466    HB2  DAL   4           HB2      DAL   4  23.046  -3.166 -12.275
  467    HB3  DAL   4           HB3      DAL   4  21.578  -2.179 -12.634
  468    H    DAL   5           HN       DAL   5  22.212  -4.167  -8.570
  469    HA   DAL   5           HA       DAL   5  22.992  -6.031  -6.907
  470    HB1  DAL   5           HB1      DAL   5  23.217  -7.414  -9.546
  471    HB2  DAL   5           HB2      DAL   5  24.337  -7.444  -8.200
  472    HB3  DAL   5           HB3      DAL   5  24.354  -6.070  -9.333
  473    H1   ALA   1           HN       ALA   1 -20.047   0.672  -1.566
  474    HA   ALA   1           HA       ALA   1 -22.168  -0.970  -0.761
  475    HB1  ALA   1           HB1      ALA   1 -22.552   0.759   0.940
  476    HB2  ALA   1           HB2      ALA   1 -23.928   0.558  -0.167
  477    HB3  ALA   1           HB3      ALA   1 -22.820   1.923  -0.353
  478    H    DGL   2           HN       DGL   2 -24.433   0.159  -1.904
  479    HA   DGL   2           HA       DGL   2 -25.307   1.091  -3.774
  480    HB2  DGL   2           HB1      DGL   2 -24.108   0.035  -5.958
  481    HB3  DGL   2           HB2      DGL   2 -25.193  -0.904  -4.938
  482    HG2  DGL   2           HG1      DGL   2 -23.578  -2.456  -4.549
  483    HG3  DGL   2           HG2      DGL   2 -22.468  -1.277  -3.855
  484    H    LYS   3           HN       LYS   3 -21.019  -0.236  -5.313
  485    HA   LYS   3           HA       LYS   3 -19.390  -0.251  -6.733
  486    HB2  LYS   3           HB2      LYS   3 -19.730  -2.827  -6.249
  487    HB3  LYS   3           HB1      LYS   3 -19.907  -2.855  -8.014
  488    HG2  LYS   3           HG2      LYS   3 -17.693  -1.312  -6.681
  489    HG3  LYS   3           HG1      LYS   3 -17.531  -3.037  -6.951
  490    HD2  LYS   3           HD2      LYS   3 -16.636  -2.656  -8.979
  491    HD3  LYS   3           HD1      LYS   3 -18.242  -2.180  -9.403
  492    HE2  LYS   3           HE1      LYS   3 -16.480  -0.071  -8.388
  493    HE3  LYS   3           HE2      LYS   3 -16.631  -0.738 -10.221
  494    HZ1  LYS   3           HZ1      LYS   3 -17.531   1.166 -10.649
  495    HZ2  LYS   3           HZ2      LYS   3 -17.823   1.490  -9.031
  496    HZ3  LYS   3           HZ3      LYS   3 -18.826   0.464  -9.848
  497    H    DAL   4           HN       DAL   4 -21.804   0.831  -7.145
  498    HA   DAL   4           HA       DAL   4 -23.003   2.591  -8.650
  499    HB1  DAL   4           HB1      DAL   4 -24.364   0.937  -9.311
  500    HB2  DAL   4           HB2      DAL   4 -23.330   0.568 -10.685
  501    HB3  DAL   4           HB3      DAL   4 -24.098   2.197 -10.555
  502    H    DAL   5           HN       DAL   5 -21.055   3.847  -7.932
  503    HA   DAL   5           HA       DAL   5 -19.045   5.474  -8.283
  504    HB1  DAL   5           HB1      DAL   5 -20.700   5.899 -10.129
  505    HB2  DAL   5           HB2      DAL   5 -20.186   4.458 -10.978
  506    HB3  DAL   5           HB3      DAL   5 -19.121   5.884 -10.935
  507    H1   ALA   1           HN       ALA   1  13.349  13.532   2.356
  508    HA   ALA   1           HA       ALA   1  12.344  15.884   3.493
  509    HB1  ALA   1           HB1      ALA   1  12.988  14.888   5.627
  510    HB2  ALA   1           HB2      ALA   1  13.885  16.383   5.285
  511    HB3  ALA   1           HB3      ALA   1  14.653  14.806   5.063
  512    H    DGL   2           HN       DGL   2  14.531  17.494   3.943
  513    HA   DGL   2           HA       DGL   2  16.483  18.290   3.102
  514    HB2  DGL   2           HB1      DGL   2  16.326  18.162   0.357
  515    HB3  DGL   2           HB2      DGL   2  15.557  19.408   1.333
  516    HG2  DGL   2           HG1      DGL   2  13.491  18.834   0.576
  517    HG3  DGL   2           HG2      DGL   2  13.639  17.157   1.090
  518    H    LYS   3           HN       LYS   3  15.804  16.507  -0.632
  519    HA   LYS   3           HA       LYS   3  16.149  15.522  -2.524
  520    HB2  LYS   3           HB2      LYS   3  13.421  15.421  -2.250
  521    HB3  LYS   3           HB1      LYS   3  13.661  15.858  -3.952
  522    HG2  LYS   3           HG2      LYS   3  15.033  13.593  -2.494
  523    HG3  LYS   3           HG1      LYS   3  13.667  13.407  -3.577
  524    HD2  LYS   3           HD2      LYS   3  15.127  12.913  -5.231
  525    HD3  LYS   3           HD1      LYS   3  15.345  14.627  -5.220
  526    HE2  LYS   3           HE1      LYS   3  17.174  13.032  -3.569
  527    HE3  LYS   3           HE2      LYS   3  17.337  13.510  -5.458
  528    HZ1  LYS   3           HZ1      LYS   3  19.066  14.617  -4.621
  529    HZ2  LYS   3           HZ2      LYS   3  18.316  14.903  -3.095
  530    HZ3  LYS   3           HZ3      LYS   3  17.782  15.687  -4.495
  531    H    DAL   4           HN       DAL   4  17.031  17.839  -2.049
  532    HA   DAL   4           HA       DAL   4  18.431  19.878  -2.940
  533    HB1  DAL   4           HB1      DAL   4  16.574  20.965  -3.650
  534    HB2  DAL   4           HB2      DAL   4  16.738  20.247  -5.247
  535    HB3  DAL   4           HB3      DAL   4  18.058  21.294  -4.596
  536    H    DAL   5           HN       DAL   5  20.237  18.501  -2.562
  537    HA   DAL   5           HA       DAL   5  22.428  17.183  -3.091
  538    HB1  DAL   5           HB1      DAL   5  21.244  17.496  -5.815
  539    HB2  DAL   5           HB2      DAL   5  22.925  17.628  -5.340
  540    HB3  DAL   5           HB3      DAL   5  21.825  19.008  -5.093
  541    H12  P1W 103           H12      TPL  10  -9.121  -5.836  -0.330
  542    H11  P1W 103           H11      TPL  10  -7.615  -5.262   0.407
  543    H2   P1W 103           H2       TPL  10  -8.473  -3.176  -1.326
  544    H43  P1W 103           H42      TPL  10  -8.445  -3.228  -3.921
  545    H42  P1W 103           H41      TPL  10  -6.742  -3.223  -3.459
  546    H51  P1W 103           H51      TPL  10  -8.439  -6.453  -3.776
  547    H52  P1W 103           H52      TPL  10  -8.309  -6.802  -2.052
  548    H53  P1W 103           H53      TPL  10  -6.847  -6.590  -3.019
  549    H12  P1W 104           H12      TPL  11  -6.775  -5.568  -4.688
  550    H11  P1W 104           H11      TPL  11  -8.144  -4.851  -5.532
  551    H2   P1W 104           H2       TPL  11  -6.567  -2.836  -6.032
  552    H43  P1W 104           H42      TPL  11  -4.421  -2.463  -7.092
  553    H42  P1W 104           H41      TPL  11  -3.105  -3.576  -6.711
  554    H51  P1W 104           H51      TPL  11  -5.063  -6.427  -6.158
  555    H52  P1W 104           H52      TPL  11  -4.496  -5.676  -4.666
  556    H53  P1W 104           H53      TPL  11  -3.448  -5.724  -6.083
  557    H12  P1W 105           H12      TPL  11   8.911  -9.826  -7.763
  558    H11  P1W 105           H11      TPL  11   9.441 -10.281  -6.147
  559    H2   P1W 105           H2       TPL  11   7.569 -11.798  -7.987
  560    H43  P1W 105           H42      TPL  11   8.471 -14.810  -5.887
  561    H42  P1W 105           H41      TPL  11   7.042 -14.172  -6.702
  562    H51  P1W 105           H51      TPL  11   9.972 -13.660  -5.044
  563    H52  P1W 105           H52      TPL  11   9.274 -12.148  -4.464
  564    H53  P1W 105           H53      TPL  11  10.535 -12.122  -5.694
  565    H12  P1W 106           H12      TPL  12  -5.163  -4.227  -8.809
  566    H11  P1W 106           H11      TPL  12  -3.735  -3.265  -9.183
  567    H2   P1W 106           H2       TPL  12  -3.782  -6.153  -8.234
  568    H43  P1W 106           H43      TPL  12  -1.736  -7.394  -8.658
  569    H41  P1W 106           H41      TPL  12  -0.279  -6.487  -9.078
  570    H42  P1W 106           H42      TPL  12  -1.371  -7.038 -10.347
  571    H51  P1W 106           H51      TPL  12  -0.420  -4.454 -10.202
  572    H52  P1W 106           H52      TPL  12  -1.292  -3.386  -9.104
  573    H53  P1W 106           H53      TPL  12  -1.970  -3.758 -10.690
  574    H12  P1W 107           H12      TPL  12   8.131 -14.184  -8.817
  575    H11  P1W 107           H11      TPL  12   9.707 -14.458  -8.081
  576    H2   P1W 107           H2       TPL  12   7.426 -16.471  -8.129
  577    H43  P1W 107           H43      TPL  12   8.141 -18.796  -7.981
  578    H41  P1W 107           H41      TPL  12   9.821 -19.131  -7.553
  579    H42  P1W 107           H42      TPL  12   9.369 -18.912  -9.243
  580    H51  P1W 107           H51      TPL  12  11.077 -16.160  -7.095
  581    H52  P1W 107           H52      TPL  12  11.201 -16.122  -8.853
  582    H53  P1W 107           H53      TPL  12  11.526 -17.622  -7.982
  583    H12  P1W 103           H12      TPL  10   8.046  -7.305  -2.463
  584    H11  P1W 103           H11      TPL  10   9.012  -8.768  -2.349
  585    H2   P1W 103           H2       TPL  10   8.902  -7.335  -5.022
  586    H43  P1W 103           H42      TPL  10   6.541  -9.908  -6.314
  587    H42  P1W 103           H41      TPL  10   7.422  -8.452  -6.776
  588    H51  P1W 103           H51      TPL  10   7.056  -9.483  -2.795
  589    H52  P1W 103           H52      TPL  10   7.331 -10.921  -3.780
  590    H53  P1W 103           H53      TPL  10   5.906  -9.911  -4.065
  591    H12  P1W 103           H12      TPL  10 -10.699   2.829  -2.989
  592    H11  P1W 103           H11      TPL  10  -8.955   3.148  -3.059
  593    H2   P1W 103           H2       TPL  10 -10.849   3.973  -4.975
  594    H43  P1W 103           H42      TPL  10  -8.909   6.112  -6.705
  595    H42  P1W 103           H41      TPL  10 -10.569   5.555  -6.488
  596    H51  P1W 103           H51      TPL  10  -8.273   6.655  -3.372
  597    H52  P1W 103           H52      TPL  10  -7.425   6.340  -4.885
  598    H53  P1W 103           H53      TPL  10  -7.526   5.078  -3.656
  599    H12  P1W 103           H12      TPL  10  10.166   5.573  -2.400
  600    H11  P1W 103           H11      TPL  10   8.802   5.583  -1.282
  601    H2   P1W 103           H2       TPL  10   7.937   3.572  -2.331
  602    H43  P1W 103           H42      TPL  10   8.451   1.788  -4.768
  603    H42  P1W 103           H41      TPL  10   7.272   3.096  -4.776
  604    H51  P1W 103           H51      TPL  10  10.765   4.087  -5.379
  605    H52  P1W 103           H52      TPL  10  11.059   2.653  -4.394
  606    H53  P1W 103           H53      TPL  10  11.220   4.260  -3.679
  607    H12  P1W 104           H12      TPL  11 -11.283   7.561  -5.763
  608    H11  P1W 104           H11      TPL  11  -9.828   7.866  -4.817
  609    H2   P1W 104           H2       TPL  11  -9.510   8.012  -7.804
  610    H43  P1W 104           H42      TPL  11  -9.689  10.470  -8.787
  611    H42  P1W 104           H41      TPL  11  -9.502  11.771  -7.609
  612    H51  P1W 104           H51      TPL  11  -9.869  10.145  -4.651
  613    H52  P1W 104           H52      TPL  11 -11.376  10.455  -5.513
  614    H53  P1W 104           H53      TPL  11 -10.055  11.618  -5.600
  615    H12  P1W 105           H12      TPL  11   9.666   2.846  -6.602
  616    H11  P1W 105           H11      TPL  11   7.992   2.544  -7.047
  617    H2   P1W 105           H2       TPL  11   8.048   5.209  -5.991
  618    H43  P1W 105           H42      TPL  11   9.209   6.820  -9.224
  619    H42  P1W 105           H41      TPL  11   7.801   6.907  -8.165
  620    H51  P1W 105           H51      TPL  11   9.869   4.930  -9.818
  621    H52  P1W 105           H52      TPL  11   9.579   3.421  -8.952
  622    H53  P1W 105           H53      TPL  11  10.950   4.441  -8.515
  623    H12  P1W 106           H12      TPL  12  -7.332  10.038  -7.183
  624    H11  P1W 106           H11      TPL  12  -7.478  10.200  -8.930
  625    H2   P1W 106           H2       TPL  12  -6.856  12.351  -6.914
  626    H43  P1W 106           H43      TPL  12  -5.971  14.396  -7.800
  627    H41  P1W 106           H41      TPL  12  -6.864  14.950  -9.221
  628    H42  P1W 106           H42      TPL  12  -5.270  14.220  -9.408
  629    H51  P1W 106           H51      TPL  12  -8.207  12.268 -10.519
  630    H52  P1W 106           H52      TPL  12  -6.636  11.478 -10.637
  631    H53  P1W 106           H53      TPL  12  -6.805  13.171 -11.103
  632    H12  P1W 107           H12      TPL  12   9.382   8.589  -7.485
  633    H11  P1W 107           H11      TPL  12   9.341   7.335  -6.249
  634    H2   P1W 107           H2       TPL  12  11.527   6.627  -6.750
  635    H43  P1W 107           H43      TPL  12  13.628   7.112  -9.164
  636    H41  P1W 107           H41      TPL  12  13.780   7.396  -7.426
  637    H42  P1W 107           H42      TPL  12  13.912   8.744  -8.556
  638    H51  P1W 107           H51      TPL  12  12.197   9.476  -9.832
  639    H52  P1W 107           H52      TPL  12  10.972   9.929  -8.649
  640    H53  P1W 107           H53      TPL  12  10.608   8.704  -9.866
  641    H1   MUB 101           H1       NAM   6 -14.521  -5.504  -0.716
  642    H2   MUB 101           H2       NAM   6 -14.892  -5.673   1.402
  643    HN2  MUB 101           HN2      NAM   6 -12.941  -5.841   2.553
  644    H81  MUB 101           H81      NAM   6 -10.873  -6.994   3.080
  645    H82  MUB 101           H82      NAM   6 -10.938  -8.753   3.096
  646    H83  MUB 101           H83      NAM   6 -11.898  -7.850   4.266
  647    H3   MUB 101           H3       NAM   6 -14.452  -8.798   1.077
  648    H9   MUB 101           H9       NAM   6 -17.375  -7.806   1.948
  649   H111  MUB 101          H111      NAM   6 -15.869  -5.360   2.971
  650   H112  MUB 101          H112      NAM   6 -17.607  -5.381   2.911
  651   H113  MUB 101          H113      NAM   6 -16.781  -5.665   1.422
  652    H4A  MUB 101           H4       NAM   6 -17.145  -7.762   0.331
  653    H5   MUB 101           H5       NAM   6 -15.639  -8.620  -1.960
  654    H61  MUB 101           H61      NAM   6 -17.262  -6.978  -2.129
  655    H62  MUB 101           H62      NAM   6 -15.787  -6.232  -2.834
  656    HO6  MUB 101           HO6      NAM   6 -17.129  -4.982  -1.136
  657    H1   NAG 102           H1       NAG   7 -15.425 -10.294   1.602
  658    H2   NAG 102           H2       NAG   7 -16.479 -12.182  -0.593
  659    H3   NAG 102           H3       NAG   7 -14.811 -12.854   1.865
  660    H4   NAG 102           H4       NAG   7 -13.819 -13.007  -0.959
  661    H5   NAG 102           H5       NAG   7 -13.102 -10.790   1.227
  662    H61  NAG 102           H61      NAG   7 -11.260 -11.364  -0.403
  663    H62  NAG 102           H62      NAG   7 -11.788  -9.696  -0.241
  664    H81  NAG 102           H81      NAG   7 -18.384 -12.339   4.295
  665    H82  NAG 102           H82      NAG   7 -19.045 -13.240   2.938
  666    H83  NAG 102           H83      NAG   7 -19.264 -11.494   2.987
  667    HN2  NAG 102           HN2      NAG   7 -18.153 -12.174   0.681
  668    HO3  NAG 102           HO3      NAG   7 -16.211 -14.401   0.928
  669    HO4  NAG 102           HO4      NAG   7 -12.945 -14.249   0.720
  670    HO6  NAG 102           HO6      NAG   7 -11.982  -9.897  -2.323
  671    H1   MUB 101           H1       NAM   6  11.763  -2.351  -3.578
  672    H2   MUB 101           H2       NAM   6  10.049  -1.732  -4.773
  673    HN2  MUB 101           HN2      NAM   6   8.177  -2.912  -4.321
  674    H81  MUB 101           H81      NAM   6   6.543  -4.585  -5.467
  675    H82  MUB 101           H82      NAM   6   7.097  -5.311  -3.963
  676    H83  MUB 101           H83      NAM   6   7.261  -6.221  -5.462
  677    H3   MUB 101           H3       NAM   6  10.613  -4.214  -6.651
  678    H9   MUB 101           H9       NAM   6  10.514  -1.095  -6.600
  679   H111  MUB 101          H111      NAM   6   7.481  -1.201  -6.826
  680   H112  MUB 101          H112      NAM   6   8.288   0.331  -6.655
  681   H113  MUB 101          H113      NAM   6   8.589  -0.842  -5.424
  682    H4A  MUB 101           H4       NAM   6  12.310  -1.682  -6.614
  683    H5   MUB 101           H5       NAM   6  13.600  -4.272  -5.991
  684    H61  MUB 101           H61      NAM   6  15.047  -3.076  -5.162
  685    H62  MUB 101           H62      NAM   6  14.046  -2.689  -3.722
  686    HO6  MUB 101           HO6      NAM   6  14.797  -1.226  -5.993
  687    H1   NAG 102           H1       NAG   7  11.099  -4.090  -8.536
  688    H2   NAG 102           H2       NAG   7  13.836  -4.328  -9.975
  689    H3   NAG 102           H3       NAG   7  11.158  -5.548 -10.668
  690    H4   NAG 102           H4       NAG   7  13.544  -7.116  -9.746
  691    H5   NAG 102           H5       NAG   7  10.915  -6.435  -8.070
  692    H61  NAG 102           H61      NAG   7  11.986  -8.608  -7.526
  693    H62  NAG 102           H62      NAG   7  11.779  -7.450  -6.231
  694    H81  NAG 102           H81      NAG   7   9.994  -1.550 -12.120
  695    H82  NAG 102           H82      NAG   7  11.591  -1.730 -12.832
  696    H83  NAG 102           H83      NAG   7  11.418  -0.781 -11.360
  697    HN2  NAG 102           HN2      NAG   7  13.232  -2.566 -10.868
  698    HO3  NAG 102           HO3      NAG   7  12.735  -5.068 -12.274
  699    HO4  NAG 102           HO4      NAG   7  11.888  -8.000 -11.024
  700    HO6  NAG 102           HO6      NAG   7  13.904  -7.330  -6.129
  701    H1   MUB 101           H1       NAM   6 -16.473   4.251  -1.913
  702    H2   MUB 101           H2       NAM   6 -17.088   3.168  -0.181
  703    HN2  MUB 101           HN2      NAM   6 -15.494   2.382   1.220
  704    H81  MUB 101           H81      NAM   6 -12.815   0.144   0.596
  705    H82  MUB 101           H82      NAM   6 -13.760   0.937   1.852
  706    H83  MUB 101           H83      NAM   6 -12.598   1.886   0.927
  707    H3   MUB 101           H3       NAM   6 -16.276   0.518  -1.739
  708    H9   MUB 101           H9       NAM   6 -18.876   1.511  -0.261
  709   H111  MUB 101          H111      NAM   6 -17.162   1.655   2.182
  710   H112  MUB 101          H112      NAM   6 -18.859   1.945   2.432
  711   H113  MUB 101          H113      NAM   6 -18.072   2.937   1.258
  712    H4A  MUB 101           H4       NAM   6 -19.044   1.745  -1.902
  713    H5   MUB 101           H5       NAM   6 -17.534   1.890  -4.374
  714    H61  MUB 101           H61      NAM   6 -19.208   3.417  -3.887
  715    H62  MUB 101           H62      NAM   6 -17.760   4.424  -4.200
  716    HO6  MUB 101           HO6      NAM   6 -19.139   4.845  -2.168
  717    H1   NAG 102           H1       NAG   7 -17.454  -1.167  -1.958
  718    H2   NAG 102           H2       NAG   7 -18.604  -1.707  -4.777
  719    H3   NAG 102           H3       NAG   7 -17.025  -3.565  -2.940
  720    H4   NAG 102           H4       NAG   7 -16.035  -2.471  -5.547
  721    H5   NAG 102           H5       NAG   7 -15.152  -1.542  -2.619
  722    H61  NAG 102           H61      NAG   7 -13.373  -1.382  -4.372
  723    H62  NAG 102           H62      NAG   7 -13.842   0.087  -3.518
  724    H81  NAG 102           H81      NAG   7 -21.295  -4.282  -2.224
  725    H82  NAG 102           H82      NAG   7 -21.481  -2.744  -1.391
  726    H83  NAG 102           H83      NAG   7 -20.670  -4.070  -0.561
  727    HN2  NAG 102           HN2      NAG   7 -20.318  -2.170  -3.627
  728    HO3  NAG 102           HO3      NAG   7 -18.569  -4.351  -4.493
  729    HO4  NAG 102           HO4      NAG   7 -15.245  -4.387  -4.664
  730    HO6  NAG 102           HO6      NAG   7 -15.223   0.452  -5.387
  731    H1   MUB 101           H1       NAM   6  14.118   8.325   1.098
  732    H2   MUB 101           H2       NAM   6  12.947   9.040   2.703
  733    HN2  MUB 101           HN2      NAM   6  11.037   7.974   3.091
  734    H81  MUB 101           H81      NAM   6   8.367   8.359   2.935
  735    H82  MUB 101           H82      NAM   6   8.892   6.916   2.083
  736    H83  MUB 101           H83      NAM   6   7.928   8.108   1.222
  737    H3   MUB 101           H3       NAM   6  11.220  10.537   0.506
  738    H9   MUB 101           H9       NAM   6  12.825  11.890   2.894
  739   H111  MUB 101          H111      NAM   6  12.696  10.790   5.450
  740   H112  MUB 101          H112      NAM   6  13.301  10.007   4.021
  741   H113  MUB 101          H113      NAM   6  11.664   9.666   4.452
  742    H4A  MUB 101           H4       NAM   6  13.761  11.760   1.604
  743    H5   MUB 101           H5       NAM   6  13.948  10.951  -1.176
  744    H61  MUB 101           H61      NAM   6  15.845  11.082   0.224
  745    H62  MUB 101           H62      NAM   6  15.811   9.417  -0.520
  746    HO6  MUB 101           HO6      NAM   6  16.086   9.835   2.010
  747    H1   NAG 102           H1       NAG   7  10.727  12.500   0.220
  748    H2   NAG 102           H2       NAG   7  12.238  14.072  -1.988
  749    H3   NAG 102           H3       NAG   7   9.249  13.831  -1.541
  750    H4   NAG 102           H4       NAG   7  10.715  12.625  -3.862
  751    H5   NAG 102           H5       NAG   7   9.546  11.084  -1.317
  752    H61  NAG 102           H61      NAG   7   9.504   9.819  -3.483
  753    H62  NAG 102           H62      NAG   7  10.285   9.114  -2.078
  754    H81  NAG 102           H81      NAG   7  11.682  16.487   1.734
  755    H82  NAG 102           H82      NAG   7   9.959  16.448   2.080
  756    H83  NAG 102           H83      NAG   7  10.524  17.330   0.665
  757    HN2  NAG 102           HN2      NAG   7  12.234  15.595  -0.603
  758    HO3  NAG 102           HO3      NAG   7  10.160  15.660  -2.561
  759    HO4  NAG 102           HO4      NAG   7   8.554  13.138  -4.004
  760    HO6  NAG 102           HO6      NAG   7  11.885   8.957  -3.420
  Start of MODEL   21
    1    H    ZAE   1           HN1      DPH   1   8.254 -14.746   0.465
    2    HA   ZAE   1           HA       DPH   1   8.729 -14.967  -1.929
    3    HB2  ZAE   1           HB1      DPH   1  11.042 -13.097  -1.409
    4    HB3  ZAE   1           HB2      DPH   1  11.242 -14.835  -1.603
    5    HD1  ZAE   1           HD1      DPH   1   9.916 -15.764  -3.783
    6    HD2  ZAE   1           HD2      DPH   1  11.460 -11.824  -3.288
    7    HE1  ZAE   1           HE1      DPH   1  10.027 -15.500  -6.227
    8    HE2  ZAE   1           HE2      DPH   1  11.570 -11.558  -5.733
    9    HZ   ZAE   1           HZ       DPH   1  10.858 -13.397  -7.205
   10    H11  ZAE   1          HN11      DPH   1  10.862 -15.993  -0.097
   11    H12  ZAE   1          HN12      DPH   1   9.294 -16.728  -0.434
   12    H13  ZAE   1          HN13      DPH   1   9.766 -16.383   1.231
   13    HN2  ZAE   1           HN2      DPH   1   9.763 -14.010   0.683
   14    H    ILE   2           HN       ILE   2   6.787 -13.940  -1.988
   15    HA   ILE   2           HA       ILE   2   6.812 -11.024  -1.663
   16    HB   ILE   2           HB       ILE   2   6.855 -11.809  -4.094
   17   HG12  ILE   2          HG12      ILE   2   4.444 -10.200  -3.246
   18   HG13  ILE   2          HG11      ILE   2   6.078  -9.575  -3.438
   19   HG21  ILE   2          HG21      ILE   2   4.740 -12.582  -5.067
   20   HG22  ILE   2          HG22      ILE   2   4.058 -12.709  -3.445
   21   HG23  ILE   2          HG23      ILE   2   5.411 -13.738  -3.915
   22   HD11  ILE   2          HD11      ILE   2   4.516 -10.821  -5.675
   23   HD12  ILE   2          HD12      ILE   2   6.025  -9.920  -5.787
   24   HD13  ILE   2          HD13      ILE   2   4.540  -9.089  -5.331
   25    H    SER   3           HN       SER   3   5.156 -10.219  -0.516
   26    HA   SER   3           HA       SER   3   2.674 -11.683  -0.172
   27    HB2  SER   3           HB2      SER   3   4.261 -10.820   2.237
   28    HB3  SER   3           HB1      SER   3   2.687 -11.624   2.230
   29    HG   SER   3           HG       SER   3   4.279 -13.119   0.797
   30    H    DAR   4           HN       DAR   4   1.289 -10.370   1.504
   31    HA   DAR   4           HA       DAR   4   1.520  -7.545   0.776
   32    HB2  DAR   4           HB1      DAR   4   0.110  -8.833   3.106
   33    HB3  DAR   4           HB2      DAR   4   0.152  -7.105   2.773
   34    HG2  DAR   4           HG1      DAR   4   2.777  -8.413   2.891
   35    HG3  DAR   4           HG2      DAR   4   1.875  -8.409   4.409
   36    HD2  DAR   4           HD1      DAR   4   3.210  -6.440   4.371
   37    HD3  DAR   4           HD2      DAR   4   1.540  -5.946   4.101
   38    HE   DAR   4           HE       DAR   4   2.751  -6.343   1.613
   39   HH11  DAR   4          HH21      DAR   4   3.889  -3.033   1.170
   40   HH12  DAR   4          HH22      DAR   4   3.530  -4.595   0.349
   41   HH21  DAR   4          HH11      DAR   4   3.535  -2.809   3.430
   42   HH22  DAR   4          HH12      DAR   4   2.870  -4.189   4.377
   43    HA   28J   5           HA       28J   5  -2.437  -8.297  -0.926
   44    H22  28J   5           HB       28J   5  -1.834  -6.904  -3.363
   45    H23  28J   5          HG21      28J   5   0.312  -8.826  -2.473
   46    H24  28J   5          HG22      28J   5   0.511  -7.085  -2.683
   47    H25  28J   5          HG23      28J   5   0.161  -8.110  -4.076
   48    H26  28J   5          HG11      28J   5  -3.285  -8.960  -3.039
   49    H27  28J   5          HG12      28J   5  -1.791  -9.887  -2.896
   50    H28  28J   5          HD11      28J   5  -1.133  -9.045  -5.140
   51    H29  28J   5          HD12      28J   5  -2.732  -8.319  -5.278
   52    H30  28J   5          HD13      28J   5  -2.570 -10.070  -5.146
   53    H    ILE   6           HN       ILE   6  -4.253  -7.064  -1.589
   54    HA   ILE   6           HA       ILE   6  -4.078  -4.177  -1.009
   55    HB   ILE   6           HB       ILE   6  -6.170  -3.984  -2.384
   56   HG12  ILE   6          HG12      ILE   6  -5.540  -6.649  -3.588
   57   HG13  ILE   6          HG11      ILE   6  -6.518  -6.562  -2.120
   58   HG21  ILE   6          HG21      ILE   6  -3.719  -4.975  -3.842
   59   HG22  ILE   6          HG22      ILE   6  -4.058  -3.312  -3.355
   60   HG23  ILE   6          HG23      ILE   6  -5.065  -4.099  -4.566
   61   HD11  ILE   6          HD11      ILE   6  -8.141  -5.262  -3.188
   62   HD12  ILE   6          HD12      ILE   6  -7.751  -6.599  -4.273
   63   HD13  ILE   6          HD13      ILE   6  -7.102  -4.988  -4.568
   64    H    SER   7           HN       SER   7  -5.223  -3.324   0.716
   65    HA   SER   7           HA       SER   7  -7.698  -4.582   1.584
   66    HB2  SER   7           HB2      SER   7  -5.216  -4.644   3.281
   67    HB3  SER   7           HB1      SER   7  -6.820  -4.608   4.017
   68    HG   SER   7           HG       SER   7  -7.189  -6.588   3.358
   69    H    DTH   8           HN       DTC   8  -8.705  -3.386   3.407
   70    HA   DTH   8           HA       DTC   8  -8.009  -0.505   3.242
   71    HB   DTH   8           HB       DTC   8  -8.912  -0.160   5.528
   72   HG21  DTH   8          HG21      DTC   8  -6.521  -0.632   5.224
   73   HG22  DTH   8          HG22      DTC   8  -6.832  -2.365   5.345
   74   HG23  DTH   8          HG23      DTC   8  -7.114  -1.318   6.736
   75    H    ALA   9           HN       ALA   9 -10.574  -2.906   3.291
   76    HA   ALA   9           HA       ALA   9 -12.555  -0.834   2.672
   77    HB1  ALA   9           HB1      ALA   9 -12.693  -2.321   0.941
   78    HB2  ALA   9           HB2      ALA   9 -13.831  -3.088   2.052
   79    HB3  ALA   9           HB3      ALA   9 -12.178  -3.677   1.934
   80    H    LEU  10           HN       LEU  10 -12.851  -4.110   4.120
   81    HA   LEU  10           HA       LEU  10 -14.742  -3.142   6.076
   82    HB2  LEU  10           HB2      LEU  10 -14.360  -5.494   7.076
   83    HB3  LEU  10           HB1      LEU  10 -15.181  -5.345   5.540
   84    HG   LEU  10           HG       LEU  10 -13.554  -7.201   5.686
   85   HD11  LEU  10          HD11      LEU  10 -13.939  -6.915   3.541
   86   HD12  LEU  10          HD12      LEU  10 -12.323  -6.217   3.510
   87   HD13  LEU  10          HD13      LEU  10 -13.735  -5.163   3.609
   88   HD21  LEU  10          HD21      LEU  10 -11.156  -6.554   5.319
   89   HD22  LEU  10          HD22      LEU  10 -11.800  -6.317   6.941
   90   HD23  LEU  10          HD23      LEU  10 -11.604  -4.933   5.868
   91    H    ILE  11           HN       ILE  11 -11.428  -3.269   5.773
   92    HA   ILE  11           HA       ILE  11 -11.176  -2.494   8.612
   93    HB   ILE  11           HB       ILE  11  -9.613  -4.755   7.372
   94   HG12  ILE  11          HG12      ILE  11 -10.902  -4.521  10.099
   95   HG13  ILE  11          HG11      ILE  11 -11.751  -5.157   8.695
   96   HG21  ILE  11          HG21      ILE  11  -8.908  -3.180   9.846
   97   HG22  ILE  11          HG22      ILE  11  -8.019  -3.160   8.321
   98   HG23  ILE  11          HG23      ILE  11  -8.092  -4.638   9.282
   99   HD11  ILE  11          HD11      ILE  11  -9.238  -6.306   9.888
  100   HD12  ILE  11          HD12      ILE  11 -10.138  -6.960   8.519
  101   HD13  ILE  11          HD13      ILE  11 -10.872  -6.927  10.122
  102    H    ZAE   1           HN1      DPH   1  -9.639   4.804   2.129
  103    HA   ZAE   1           HA       DPH   1  -8.886   4.105  -0.104
  104    HB2  ZAE   1           HB1      DPH   1 -11.287   2.620   0.988
  105    HB3  ZAE   1           HB2      DPH   1 -11.281   4.299   0.471
  106    HD1  ZAE   1           HD1      DPH   1  -9.604   4.084  -1.983
  107    HD2  ZAE   1           HD2      DPH   1 -12.808   1.670  -0.556
  108    HE1  ZAE   1           HE1      DPH   1 -10.183   3.489  -4.297
  109    HE2  ZAE   1           HE2      DPH   1 -13.377   1.056  -2.873
  110    HZ   ZAE   1           HZ       DPH   1 -12.068   1.976  -4.746
  111    H11  ZAE   1          HN11      DPH   1  -8.996   2.024   2.812
  112    H12  ZAE   1          HN12      DPH   1 -10.563   2.821   2.973
  113    H13  ZAE   1          HN13      DPH   1  -9.207   3.335   3.977
  114    HN2  ZAE   1           HN2      DPH   1  -8.075   4.162   2.072
  115    H    ILE   2           HN       ILE   2  -7.127   2.899  -0.470
  116    HA   ILE   2           HA       ILE   2  -7.294   0.036   0.142
  117    HB   ILE   2           HB       ILE   2  -7.792   0.496  -2.283
  118   HG12  ILE   2          HG12      ILE   2  -5.258  -1.028  -1.694
  119   HG13  ILE   2          HG11      ILE   2  -6.900  -1.640  -1.560
  120   HG21  ILE   2          HG21      ILE   2  -5.988   1.155  -3.773
  121   HG22  ILE   2          HG22      ILE   2  -4.915   1.387  -2.392
  122   HG23  ILE   2          HG23      ILE   2  -6.326   2.420  -2.596
  123   HD11  ILE   2          HD11      ILE   2  -5.301  -1.058  -3.998
  124   HD12  ILE   2          HD12      ILE   2  -7.059  -1.013  -4.076
  125   HD13  ILE   2          HD13      ILE   2  -6.243  -2.492  -3.585
  126    H    SER   3           HN       SER   3  -5.429  -0.909   0.747
  127    HA   SER   3           HA       SER   3  -2.915   0.530   0.631
  128    HB2  SER   3           HB2      SER   3  -4.142  -0.343   3.239
  129    HB3  SER   3           HB1      SER   3  -2.473   0.201   3.023
  130    HG   SER   3           HG       SER   3  -4.277   1.918   1.952
  131    H    DAR   4           HN       DAR   4  -1.161  -0.759   1.420
  132    HA   DAR   4           HA       DAR   4  -1.657  -3.576   0.800
  133    HB2  DAR   4           HB1      DAR   4   0.098  -2.542   3.028
  134    HB3  DAR   4           HB2      DAR   4   0.007  -4.220   2.516
  135    HG2  DAR   4           HG1      DAR   4  -2.582  -3.019   3.200
  136    HG3  DAR   4           HG2      DAR   4  -1.436  -3.112   4.538
  137    HD2  DAR   4           HD1      DAR   4  -2.613  -5.122   4.662
  138    HD3  DAR   4           HD2      DAR   4  -1.104  -5.555   3.862
  139    HE   DAR   4           HE       DAR   4  -3.049  -4.925   1.922
  140   HH11  DAR   4          HH21      DAR   4  -4.116  -8.247   1.388
  141   HH12  DAR   4          HH22      DAR   4  -4.147  -6.564   0.749
  142   HH21  DAR   4          HH11      DAR   4  -3.028  -8.718   3.353
  143   HH22  DAR   4          HH12      DAR   4  -2.167  -7.410   4.242
  144    HA   28J   5           HA       28J   5   2.364  -3.045  -0.980
  145    H22  28J   5           HB       28J   5   2.020  -3.498  -3.471
  146    H23  28J   5          HG21      28J   5  -0.346  -3.621  -4.210
  147    H24  28J   5          HG22      28J   5  -0.819  -3.909  -2.536
  148    H25  28J   5          HG23      28J   5   0.207  -5.072  -3.375
  149    H26  28J   5          HG11      28J   5   1.825  -1.253  -2.433
  150    H27  28J   5          HG12      28J   5   0.116  -1.555  -2.145
  151    H28  28J   5          HD11      28J   5   0.264  -0.198  -4.071
  152    H29  28J   5          HD12      28J   5  -0.155  -1.819  -4.623
  153    H30  28J   5          HD13      28J   5   1.500  -1.232  -4.787
  154    H    ILE   6           HN       ILE   6   3.984  -4.259  -2.107
  155    HA   ILE   6           HA       ILE   6   3.693  -7.205  -1.861
  156    HB   ILE   6           HB       ILE   6   5.174  -7.463  -3.797
  157   HG12  ILE   6          HG12      ILE   6   5.109  -4.988  -5.102
  158   HG13  ILE   6          HG11      ILE   6   5.564  -4.601  -3.448
  159   HG21  ILE   6          HG21      ILE   6   2.767  -7.454  -4.209
  160   HG22  ILE   6          HG22      ILE   6   3.634  -6.746  -5.572
  161   HG23  ILE   6          HG23      ILE   6   2.792  -5.701  -4.427
  162   HD11  ILE   6          HD11      ILE   6   6.932  -6.469  -5.322
  163   HD12  ILE   6          HD12      ILE   6   7.386  -6.224  -3.633
  164   HD13  ILE   6          HD13      ILE   6   7.483  -4.890  -4.792
  165    H    SER   7           HN       SER   7   4.958  -8.024  -0.259
  166    HA   SER   7           HA       SER   7   7.762  -7.352  -0.177
  167    HB2  SER   7           HB2      SER   7   6.285  -6.874   2.403
  168    HB3  SER   7           HB1      SER   7   7.912  -6.360   1.947
  169    HG   SER   7           HG       SER   7   5.807  -5.402   0.408
  170    H    DTH   8           HN       DTC   8   9.000  -8.772   1.162
  171    HA   DTH   8           HA       DTC   8   7.684 -11.362   1.607
  172    HB   DTH   8           HB       DTC   8   8.568 -11.648   3.885
  173   HG21  DTH   8          HG21      DTC   8   6.368 -10.611   3.678
  174   HG22  DTH   8          HG22      DTC   8   7.104  -9.010   3.563
  175   HG23  DTH   8          HG23      DTC   8   7.237  -9.941   5.056
  176    H    ALA   9           HN       ALA   9  10.550  -9.610   0.923
  177    HA   ALA   9           HA       ALA   9  12.034 -11.865   0.550
  178    HB1  ALA   9           HB1      ALA   9  13.134 -10.539  -0.906
  179    HB2  ALA   9           HB2      ALA   9  13.178  -9.159   0.173
  180    HB3  ALA   9           HB3      ALA   9  11.706  -9.519  -0.729
  181    H    LEU  10           HN       LEU  10  13.300  -8.904   1.800
  182    HA   LEU  10           HA       LEU  10  14.902  -9.948   3.834
  183    HB2  LEU  10           HB2      LEU  10  14.955  -7.520   4.634
  184    HB3  LEU  10           HB1      LEU  10  15.521  -7.847   3.007
  185    HG   LEU  10           HG       LEU  10  13.079  -7.197   2.331
  186   HD11  LEU  10          HD11      LEU  10  12.441  -7.167   4.747
  187   HD12  LEU  10          HD12      LEU  10  11.982  -5.755   3.793
  188   HD13  LEU  10          HD13      LEU  10  13.371  -5.679   4.876
  189   HD21  LEU  10          HD21      LEU  10  13.770  -4.886   2.112
  190   HD22  LEU  10          HD22      LEU  10  15.113  -5.971   1.746
  191   HD23  LEU  10          HD23      LEU  10  15.040  -5.161   3.296
  192    H    ILE  11           HN       ILE  11  11.703  -8.974   3.809
  193    HA   ILE  11           HA       ILE  11  11.441  -9.514   6.688
  194    HB   ILE  11           HB       ILE  11  10.481  -7.008   5.312
  195   HG12  ILE  11          HG12      ILE  11  11.586  -7.432   8.105
  196   HG13  ILE  11          HG11      ILE  11  12.559  -6.951   6.718
  197   HG21  ILE  11          HG21      ILE  11   9.227  -8.267   7.745
  198   HG22  ILE  11          HG22      ILE  11   8.460  -7.979   6.184
  199   HG23  ILE  11          HG23      ILE  11   8.933  -6.617   7.198
  200   HD11  ILE  11          HD11      ILE  11  11.960  -5.057   8.168
  201   HD12  ILE  11          HD12      ILE  11  10.254  -5.367   7.849
  202   HD13  ILE  11          HD13      ILE  11  11.322  -4.875   6.534
  203    H    ZAE   1           HN1      DPH   1   9.581  -4.691  -0.051
  204    HA   ZAE   1           HA       DPH   1   8.027  -4.636  -2.188
  205    HB2  ZAE   1           HB1      DPH   1  10.385  -2.790  -2.036
  206    HB3  ZAE   1           HB2      DPH   1  10.581  -4.522  -1.872
  207    HD1  ZAE   1           HD1      DPH   1  10.248  -6.029  -3.765
  208    HD2  ZAE   1           HD2      DPH   1   9.766  -1.804  -4.130
  209    HE1  ZAE   1           HE1      DPH   1  10.396  -6.228  -6.226
  210    HE2  ZAE   1           HE2      DPH   1   9.907  -2.002  -6.569
  211    HZ   ZAE   1           HZ       DPH   1  10.224  -4.203  -7.631
  212    H11  ZAE   1          HN11      DPH   1   7.599  -2.599   0.493
  213    H12  ZAE   1          HN12      DPH   1   9.347  -2.364   0.407
  214    H13  ZAE   1          HN13      DPH   1   8.655  -3.381   1.674
  215    HN2  ZAE   1           HN2      DPH   1   7.907  -4.926  -0.020
  216    H    ILE   2           HN       ILE   2   6.227  -3.518  -2.506
  217    HA   ILE   2           HA       ILE   2   6.397  -0.587  -2.338
  218    HB   ILE   2           HB       ILE   2   6.090  -1.708  -4.657
  219   HG12  ILE   2          HG12      ILE   2   3.878   0.217  -4.070
  220   HG13  ILE   2          HG11      ILE   2   5.552   0.727  -3.871
  221   HG21  ILE   2          HG21      ILE   2   3.926  -2.431  -5.297
  222   HG22  ILE   2          HG22      ILE   2   3.230  -1.933  -3.754
  223   HG23  ILE   2          HG23      ILE   2   4.347  -3.293  -3.820
  224   HD11  ILE   2          HD11      ILE   2   5.961   0.029  -6.226
  225   HD12  ILE   2          HD12      ILE   2   4.840   1.375  -6.049
  226   HD13  ILE   2          HD13      ILE   2   4.225  -0.241  -6.386
  227    H    SER   3           HN       SER   3   4.843   0.464  -1.270
  228    HA   SER   3           HA       SER   3   2.443  -0.893  -0.387
  229    HB2  SER   3           HB2      SER   3   4.153   0.487   1.653
  230    HB3  SER   3           HB1      SER   3   2.715  -0.511   1.913
  231    HG   SER   3           HG       SER   3   5.334  -1.258   1.384
  232    H    DAR   4           HN       DAR   4   1.110   0.592   0.911
  233    HA   DAR   4           HA       DAR   4   1.249   3.235  -0.342
  234    HB2  DAR   4           HB1      DAR   4   0.102   2.821   2.401
  235    HB3  DAR   4           HB2      DAR   4   0.574   4.328   1.627
  236    HG2  DAR   4           HG1      DAR   4   2.765   2.412   1.974
  237    HG3  DAR   4           HG2      DAR   4   2.044   2.980   3.479
  238    HD2  DAR   4           HD1      DAR   4   3.947   4.368   2.775
  239    HD3  DAR   4           HD2      DAR   4   2.442   5.284   2.850
  240    HE   DAR   4           HE       DAR   4   3.114   4.216   0.244
  241   HH11  DAR   4          HH21      DAR   4   3.739   7.440  -1.039
  242   HH12  DAR   4          HH22      DAR   4   3.505   5.704  -1.452
  243   HH21  DAR   4          HH11      DAR   4   3.629   8.133   1.150
  244   HH22  DAR   4          HH12      DAR   4   3.276   6.941   2.454
  245    HA   28J   5           HA       28J   5  -3.119   2.577  -0.511
  246    H22  28J   5           HB       28J   5  -3.660   2.733  -3.001
  247    H23  28J   5          HG21      28J   5  -1.907   2.878  -4.593
  248    H24  28J   5          HG22      28J   5  -0.673   2.872  -3.332
  249    H25  28J   5          HG23      28J   5  -1.743   4.261  -3.512
  250    H26  28J   5          HG11      28J   5  -3.115   0.615  -1.811
  251    H27  28J   5          HG12      28J   5  -1.421   0.846  -2.229
  252    H28  28J   5          HD11      28J   5  -2.491  -0.748  -3.717
  253    H29  28J   5          HD12      28J   5  -1.977   0.691  -4.597
  254    H30  28J   5          HD13      28J   5  -3.678   0.469  -4.185
  255    H    ILE   6           HN       ILE   6  -5.011   3.722  -1.458
  256    HA   ILE   6           HA       ILE   6  -4.525   6.640  -1.546
  257    HB   ILE   6           HB       ILE   6  -5.777   6.892  -3.428
  258   HG12  ILE   6          HG12      ILE   6  -7.118   4.227  -2.927
  259   HG13  ILE   6          HG11      ILE   6  -7.823   5.821  -2.665
  260   HG21  ILE   6          HG21      ILE   6  -4.787   4.089  -3.932
  261   HG22  ILE   6          HG22      ILE   6  -3.744   5.508  -3.879
  262   HG23  ILE   6          HG23      ILE   6  -5.003   5.387  -5.107
  263   HD11  ILE   6          HD11      ILE   6  -6.990   4.666  -5.285
  264   HD12  ILE   6          HD12      ILE   6  -7.710   6.256  -5.023
  265   HD13  ILE   6          HD13      ILE   6  -8.628   4.790  -4.665
  266    H    SER   7           HN       SER   7  -5.571   7.808   0.020
  267    HA   SER   7           HA       SER   7  -8.279   7.138   0.779
  268    HB2  SER   7           HB2      SER   7  -6.161   6.890   2.915
  269    HB3  SER   7           HB1      SER   7  -7.882   6.521   3.057
  270    HG   SER   7           HG       SER   7  -6.720   5.151   1.034
  271    H    DTH   8           HN       DTC   8  -9.283   8.557   2.261
  272    HA   DTH   8           HA       DTC   8  -8.135  11.206   2.511
  273    HB   DTH   8           HB       DTC   8  -8.641  11.482   4.950
  274   HG21  DTH   8          HG21      DTC   8  -6.336  10.970   4.304
  275   HG22  DTH   8          HG22      DTC   8  -6.678   9.239   4.343
  276   HG23  DTH   8          HG23      DTC   8  -6.737  10.186   5.831
  277    H    ALA   9           HN       ALA   9 -10.661   9.133   2.036
  278    HA   ALA   9           HA       ALA   9 -12.788  10.975   2.468
  279    HB1  ALA   9           HB1      ALA   9 -12.495   9.249   0.568
  280    HB2  ALA   9           HB2      ALA   9 -14.102   9.497   1.248
  281    HB3  ALA   9           HB3      ALA   9 -13.145   8.102   1.740
  282    H    LEU  10           HN       LEU  10 -12.279   7.730   3.330
  283    HA   LEU  10           HA       LEU  10 -14.215   7.673   5.437
  284    HB2  LEU  10           HB2      LEU  10 -12.148   5.547   5.415
  285    HB3  LEU  10           HB1      LEU  10 -13.889   5.425   5.546
  286    HG   LEU  10           HG       LEU  10 -13.466   4.395   3.511
  287   HD11  LEU  10          HD11      LEU  10 -15.201   5.815   3.047
  288   HD12  LEU  10          HD12      LEU  10 -14.052   6.196   1.763
  289   HD13  LEU  10          HD13      LEU  10 -14.191   7.256   3.165
  290   HD21  LEU  10          HD21      LEU  10 -11.262   4.672   2.930
  291   HD22  LEU  10          HD22      LEU  10 -11.293   6.415   3.207
  292   HD23  LEU  10          HD23      LEU  10 -12.031   5.739   1.755
  293    H    ILE  11           HN       ILE  11 -10.895   8.424   5.222
  294    HA   ILE  11           HA       ILE  11 -10.714   9.048   8.047
  295    HB   ILE  11           HB       ILE  11  -8.780   6.961   6.970
  296   HG12  ILE  11          HG12      ILE  11 -10.743   6.496   9.223
  297   HG13  ILE  11          HG11      ILE  11 -11.158   6.114   7.556
  298   HG21  ILE  11          HG21      ILE  11  -9.101   8.163   9.710
  299   HG22  ILE  11          HG22      ILE  11  -7.821   8.535   8.556
  300   HG23  ILE  11          HG23      ILE  11  -7.934   6.921   9.256
  301   HD11  ILE  11          HD11      ILE  11  -8.778   4.963   9.001
  302   HD12  ILE  11          HD12      ILE  11  -9.420   4.474   7.433
  303   HD13  ILE  11          HD13      ILE  11 -10.355   4.180   8.899
  304    H    ZAE   1           HN1      DPH   1  -8.816  17.058   0.779
  305    HA   ZAE   1           HA       DPH   1  -9.581  15.198  -0.472
  306    HB2  ZAE   1           HB1      DPH   1 -10.310  14.132   2.168
  307    HB3  ZAE   1           HB2      DPH   1 -10.554  15.868   1.999
  308    HD1  ZAE   1           HD1      DPH   1 -11.278  15.963  -0.917
  309    HD2  ZAE   1           HD2      DPH   1 -12.514  13.339   2.208
  310    HE1  ZAE   1           HE1      DPH   1 -13.406  15.556  -2.102
  311    HE2  ZAE   1           HE2      DPH   1 -14.626  12.936   1.031
  312    HZ   ZAE   1           HZ       DPH   1 -15.084  14.039  -1.121
  313    H11  ZAE   1          HN11      DPH   1  -7.489  15.105   2.540
  314    H12  ZAE   1          HN12      DPH   1  -8.818  16.183   2.971
  315    H13  ZAE   1          HN13      DPH   1  -7.233  16.853   2.581
  316    HN2  ZAE   1           HN2      DPH   1  -7.476  16.131   0.316
  317    H    ILE   2           HN       ILE   2  -8.355  13.695  -1.433
  318    HA   ILE   2           HA       ILE   2  -7.674  11.309   0.094
  319    HB   ILE   2           HB       ILE   2  -8.916  10.949  -1.981
  320   HG12  ILE   2          HG12      ILE   2  -6.032  10.098  -2.309
  321   HG13  ILE   2          HG11      ILE   2  -7.274   9.228  -1.415
  322   HG21  ILE   2          HG21      ILE   2  -8.064  13.063  -3.077
  323   HG22  ILE   2          HG22      ILE   2  -8.250  11.652  -4.119
  324   HG23  ILE   2          HG23      ILE   2  -6.648  12.127  -3.558
  325   HD11  ILE   2          HD11      ILE   2  -7.037   9.604  -4.376
  326   HD12  ILE   2          HD12      ILE   2  -8.539   9.085  -3.617
  327   HD13  ILE   2          HD13      ILE   2  -7.087   8.103  -3.449
  328    H    SER   3           HN       SER   3  -5.589  10.588   0.347
  329    HA   SER   3           HA       SER   3  -3.381  11.878  -1.031
  330    HB2  SER   3           HB2      SER   3  -3.567  11.892   1.974
  331    HB3  SER   3           HB1      SER   3  -2.122  12.301   1.043
  332    HG   SER   3           HG       SER   3  -4.181  13.697   0.100
  333    H    DAR   4           HN       DAR   4  -1.256  10.909  -0.233
  334    HA   DAR   4           HA       DAR   4  -1.666   8.046   0.188
  335    HB2  DAR   4           HB1      DAR   4   0.845   9.636   0.662
  336    HB3  DAR   4           HB2      DAR   4   0.541   7.966   1.131
  337    HG2  DAR   4           HG1      DAR   4  -1.251  10.120   2.143
  338    HG3  DAR   4           HG2      DAR   4   0.342   9.906   2.874
  339    HD2  DAR   4           HD1      DAR   4  -1.319   8.647   4.110
  340    HD3  DAR   4           HD2      DAR   4  -0.197   7.546   3.313
  341    HE   DAR   4           HE       DAR   4  -2.597   8.098   1.813
  342   HH11  DAR   4          HH21      DAR   4  -3.888   4.875   2.436
  343   HH12  DAR   4          HH22      DAR   4  -4.065   6.374   1.455
  344   HH21  DAR   4          HH11      DAR   4  -2.200   4.704   3.989
  345   HH22  DAR   4          HH12      DAR   4  -1.033   6.058   4.198
  346    HA   28J   5           HA       28J   5   0.555   7.719  -3.540
  347    H22  28J   5           HB       28J   5  -1.512   5.842  -4.502
  348    H23  28J   5          HG21      28J   5  -3.292   7.443  -4.664
  349    H24  28J   5          HG22      28J   5  -2.300   8.692  -3.912
  350    H25  28J   5          HG23      28J   5  -2.823   7.295  -2.971
  351    H26  28J   5          HG11      28J   5   0.167   6.931  -5.982
  352    H27  28J   5          HG12      28J   5  -0.505   8.503  -5.561
  353    H28  28J   5          HD11      28J   5  -1.236   7.610  -7.769
  354    H29  28J   5          HD12      28J   5  -2.553   8.016  -6.669
  355    H30  28J   5          HD13      28J   5  -2.091   6.330  -6.907
  356    H    ILE   6           HN       ILE   6   1.259   5.850  -4.912
  357    HA   ILE   6           HA       ILE   6   1.679   3.427  -3.296
  358    HB   ILE   6           HB       ILE   6   0.527   2.619  -5.025
  359   HG12  ILE   6          HG12      ILE   6   3.253   2.886  -6.316
  360   HG13  ILE   6          HG11      ILE   6   2.639   1.531  -5.368
  361   HG21  ILE   6          HG21      ILE   6   0.314   3.664  -7.255
  362   HG22  ILE   6          HG22      ILE   6   1.471   4.902  -6.767
  363   HG23  ILE   6          HG23      ILE   6  -0.078   4.769  -5.936
  364   HD11  ILE   6          HD11      ILE   6   2.635   0.994  -7.677
  365   HD12  ILE   6          HD12      ILE   6   1.690   2.438  -8.045
  366   HD13  ILE   6          HD13      ILE   6   0.985   1.128  -7.094
  367    H    SER   7           HN       SER   7   3.743   3.149  -2.510
  368    HA   SER   7           HA       SER   7   6.040   3.659  -4.245
  369    HB2  SER   7           HB2      SER   7   5.813   5.034  -1.553
  370    HB3  SER   7           HB1      SER   7   7.194   5.113  -2.654
  371    HG   SER   7           HG       SER   7   5.158   5.820  -4.097
  372    H    DTH   8           HN       DTC   8   7.924   2.654  -3.605
  373    HA   DTH   8           HA       DTC   8   7.779   0.530  -1.642
  374    HB   DTH   8           HB       DTC   8   9.919   1.011  -0.487
  375   HG21  DTH   8          HG21      DTC   8   9.216   2.903   0.899
  376   HG22  DTH   8          HG22      DTC   8   7.841   1.847   0.564
  377   HG23  DTH   8          HG23      DTC   8   8.020   3.371  -0.308
  378    H    ALA   9           HN       ALA   9   8.640   1.496  -4.639
  379    HA   ALA   9           HA       ALA   9  10.587  -0.416  -5.193
  380    HB1  ALA   9           HB1      ALA   9   8.765   0.668  -6.681
  381    HB2  ALA   9           HB2      ALA   9  10.323   0.274  -7.407
  382    HB3  ALA   9           HB3      ALA   9   9.962   1.936  -6.940
  383    H    LEU  10           HN       LEU  10  10.649   2.961  -5.627
  384    HA   LEU  10           HA       LEU  10  13.477   3.196  -5.836
  385    HB2  LEU  10           HB2      LEU  10  13.190   5.562  -5.995
  386    HB3  LEU  10           HB1      LEU  10  11.860   4.805  -6.846
  387    HG   LEU  10           HG       LEU  10  11.344   5.539  -4.019
  388   HD11  LEU  10          HD11      LEU  10  10.752   7.873  -5.037
  389   HD12  LEU  10          HD12      LEU  10  12.055   7.468  -6.157
  390   HD13  LEU  10          HD13      LEU  10  12.367   7.523  -4.422
  391   HD21  LEU  10          HD21      LEU  10   9.819   5.642  -6.616
  392   HD22  LEU  10          HD22      LEU  10   9.215   6.361  -5.122
  393   HD23  LEU  10          HD23      LEU  10   9.517   4.626  -5.206
  394    H    ILE  11           HN       ILE  11  11.258   3.364  -3.201
  395    HA   ILE  11           HA       ILE  11  13.433   3.643  -1.270
  396    HB   ILE  11           HB       ILE  11  11.203   5.717  -1.337
  397   HG12  ILE  11          HG12      ILE  11  14.201   6.175  -1.469
  398   HG13  ILE  11          HG11      ILE  11  13.138   6.212  -2.872
  399   HG21  ILE  11          HG21      ILE  11  13.382   5.271   0.689
  400   HG22  ILE  11          HG22      ILE  11  11.662   4.960   0.916
  401   HG23  ILE  11          HG23      ILE  11  12.237   6.612   0.692
  402   HD11  ILE  11          HD11      ILE  11  13.097   8.093  -0.519
  403   HD12  ILE  11          HD12      ILE  11  11.909   8.097  -1.822
  404   HD13  ILE  11          HD13      ILE  11  13.600   8.456  -2.169
  405    H1   ALA   1           HN       ALA   1 -11.976  -8.779  -4.374
  406    HA   ALA   1           HA       ALA   1 -12.444  -9.464  -7.054
  407    HB1  ALA   1           HB1      ALA   1 -10.806  -8.142  -8.273
  408    HB2  ALA   1           HB2      ALA   1 -10.456  -7.164  -6.829
  409    HB3  ALA   1           HB3      ALA   1 -12.055  -7.092  -7.592
  410    H    DGL   2           HN       DGL   2  -9.337  -8.250  -5.570
  411    HA   DGL   2           HA       DGL   2  -7.698  -9.499  -4.800
  412    HB2  DGL   2           HB1      DGL   2  -8.667 -11.099  -7.115
  413    HB3  DGL   2           HB2      DGL   2  -7.592 -11.881  -5.986
  414    HG2  DGL   2           HG1      DGL   2  -6.350 -10.958  -8.094
  415    HG3  DGL   2           HG2      DGL   2  -5.644 -10.272  -6.629
  416    H    LYS   3           HN       LYS   3  -5.881  -8.063  -6.305
  417    HA   LYS   3           HA       LYS   3  -6.103  -5.952  -6.703
  418    HB2  LYS   3           HB2      LYS   3  -5.554  -7.156  -9.269
  419    HB3  LYS   3           HB1      LYS   3  -6.166  -5.497  -9.381
  420    HG2  LYS   3           HG2      LYS   3  -3.905  -6.403  -7.566
  421    HG3  LYS   3           HG1      LYS   3  -3.670  -5.627  -9.130
  422    HD2  LYS   3           HD2      LYS   3  -5.026  -3.605  -8.168
  423    HD3  LYS   3           HD1      LYS   3  -4.814  -4.442  -6.665
  424    HE2  LYS   3           HE2      LYS   3  -2.321  -4.366  -6.990
  425    HE3  LYS   3           HE1      LYS   3  -2.980  -2.855  -8.053
  426    HZ1  LYS   3           HZ1      LYS   3  -2.821  -2.895  -5.165
  427    HZ2  LYS   3           HZ2      LYS   3  -3.266  -1.695  -6.204
  428    HZ3  LYS   3           HZ3      LYS   3  -1.719  -2.281  -6.272
  429    H    DAL   4           HN       DAL   4  -7.555  -5.171  -9.226
  430    HA   DAL   4           HA       DAL   4 -10.669  -5.097  -8.826
  431    HB1  DAL   4           HB1      DAL   4 -11.187  -4.894 -10.951
  432    HB2  DAL   4           HB2      DAL   4 -10.228  -6.366 -10.805
  433    HB3  DAL   4           HB3      DAL   4  -9.505  -4.889 -11.640
  434    H    DAL   5           HN       DAL   5  -9.646  -3.781  -6.721
  435    HA   DAL   5           HA       DAL   5  -9.926  -0.659  -6.735
  436    HB1  DAL   5           HB1      DAL   5  -7.726  -1.711  -7.811
  437    HB2  DAL   5           HB2      DAL   5  -7.390  -2.268  -6.160
  438    HB3  DAL   5           HB3      DAL   5  -7.460  -0.538  -6.545
  439    H1   ALA   1           HN       ALA   1  19.063  -7.369  -4.394
  440    HA   ALA   1           HA       ALA   1  20.534  -7.120  -6.772
  441    HB1  ALA   1           HB1      ALA   1  18.317  -7.122  -7.882
  442    HB2  ALA   1           HB2      ALA   1  19.197  -5.599  -8.142
  443    HB3  ALA   1           HB3      ALA   1  17.869  -5.674  -6.970
  444    H    DGL   2           HN       DGL   2  19.799  -4.195  -7.190
  445    HA   DGL   2           HA       DGL   2  19.826  -2.376  -5.944
  446    HB2  DGL   2           HB1      DGL   2  22.056  -2.271  -4.444
  447    HB3  DGL   2           HB2      DGL   2  22.110  -2.279  -6.185
  448    HG2  DGL   2           HG1      DGL   2  23.364  -4.324  -6.212
  449    HG3  DGL   2           HG2      DGL   2  22.306  -5.139  -5.063
  450    H    LYS   3           HN       LYS   3  22.753  -3.091  -2.964
  451    HA   LYS   3           HA       LYS   3  24.047  -2.539  -1.314
  452    HB2  LYS   3           HB2      LYS   3  23.799  -5.185  -1.461
  453    HB3  LYS   3           HB1      LYS   3  25.542  -5.030  -1.183
  454    HG2  LYS   3           HG2      LYS   3  23.802  -3.207   0.396
  455    HG3  LYS   3           HG1      LYS   3  23.630  -4.916   0.768
  456    HD2  LYS   3           HD2      LYS   3  25.214  -4.116   2.400
  457    HD3  LYS   3           HD1      LYS   3  25.999  -5.077   1.199
  458    HE2  LYS   3           HE1      LYS   3  27.478  -3.343   1.923
  459    HE3  LYS   3           HE2      LYS   3  26.916  -3.258   0.068
  460    HZ1  LYS   3           HZ1      LYS   3  27.168  -1.151   0.231
  461    HZ2  LYS   3           HZ2      LYS   3  27.276  -1.115   1.946
  462    HZ3  LYS   3           HZ3      LYS   3  25.772  -1.275   1.179
  463    H    DAL   4           HN       DAL   4  24.711  -1.069  -2.967
  464    HA   DAL   4           HA       DAL   4  26.375   0.695  -3.865
  465    HB1  DAL   4           HB1      DAL   4  28.585  -1.137  -3.829
  466    HB2  DAL   4           HB2      DAL   4  28.515   0.502  -4.479
  467    HB3  DAL   4           HB3      DAL   4  27.563  -0.850  -5.299
  468    H    DAL   5           HN       DAL   5  25.410   1.937  -2.004
  469    HA   DAL   5           HA       DAL   5  25.312   3.247   0.272
  470    HB1  DAL   5           HB1      DAL   5  28.120   2.339   0.147
  471    HB2  DAL   5           HB2      DAL   5  27.505   3.995   0.317
  472    HB3  DAL   5           HB3      DAL   5  27.648   3.224  -1.275
  473    H1   ALA   1           HN       ALA   1 -16.335  13.068  -3.789
  474    HA   ALA   1           HA       ALA   1 -18.051  13.500  -5.963
  475    HB1  ALA   1           HB1      ALA   1 -19.266  15.077  -4.587
  476    HB2  ALA   1           HB2      ALA   1 -18.414  15.966  -5.871
  477    HB3  ALA   1           HB3      ALA   1 -17.784  15.969  -4.214
  478    H    DGL   2           HN       DGL   2 -16.269  16.424  -5.180
  479    HA   DGL   2           HA       DGL   2 -14.139  16.839  -5.578
  480    HB2  DGL   2           HB1      DGL   2 -13.565  15.658  -8.073
  481    HB3  DGL   2           HB2      DGL   2 -14.150  17.275  -7.779
  482    HG2  DGL   2           HG1      DGL   2 -16.087  16.746  -9.042
  483    HG3  DGL   2           HG2      DGL   2 -16.584  15.567  -7.826
  484    H    LYS   3           HN       LYS   3 -13.932  14.092  -8.577
  485    HA   LYS   3           HA       LYS   3 -13.263  12.434  -9.784
  486    HB2  LYS   3           HB2      LYS   3 -16.130  12.148  -9.679
  487    HB3  LYS   3           HB1      LYS   3 -15.363  11.154 -10.933
  488    HG2  LYS   3           HG2      LYS   3 -14.410  11.336  -8.054
  489    HG3  LYS   3           HG1      LYS   3 -15.499  10.088  -8.642
  490    HD2  LYS   3           HD2      LYS   3 -13.304   9.042  -8.520
  491    HD3  LYS   3           HD1      LYS   3 -13.835   9.272 -10.147
  492    HE2  LYS   3           HE1      LYS   3 -11.677   9.644 -10.512
  493    HE3  LYS   3           HE2      LYS   3 -12.407  11.387 -10.075
  494    HZ1  LYS   3           HZ1      LYS   3 -11.080  11.549  -8.242
  495    HZ2  LYS   3           HZ2      LYS   3 -10.122  11.195  -9.573
  496    HZ3  LYS   3           HZ3      LYS   3 -10.486   9.989  -8.520
  497    H    DAL   4           HN       DAL   4 -12.423  14.412 -10.688
  498    HA   DAL   4           HA       DAL   4 -11.260  15.683 -12.669
  499    HB1  DAL   4           HB1      DAL   4 -13.234  14.644 -14.539
  500    HB2  DAL   4           HB2      DAL   4 -11.938  15.799 -14.852
  501    HB3  DAL   4           HB3      DAL   4 -13.362  16.295 -13.790
  502    H    DAL   5           HN       DAL   5  -9.189  14.790 -12.093
  503    HA   DAL   5           HA       DAL   5  -7.154  13.195 -12.003
  504    HB1  DAL   5           HB1      DAL   5  -8.994  12.441 -14.205
  505    HB2  DAL   5           HB2      DAL   5  -7.392  11.706 -14.052
  506    HB3  DAL   5           HB3      DAL   5  -7.577  13.422 -14.471
  507    H1   ALA   1           HN       ALA   1  12.762   4.405 -13.787
  508    HA   ALA   1           HA       ALA   1  14.682   2.954 -15.221
  509    HB1  ALA   1           HB1      ALA   1  12.250   1.319 -14.485
  510    HB2  ALA   1           HB2      ALA   1  13.875   1.084 -13.763
  511    HB3  ALA   1           HB3      ALA   1  13.603   0.770 -15.485
  512    H    DGL   2           HN       DGL   2  12.950   1.540 -17.072
  513    HA   DGL   2           HA       DGL   2  11.457   2.014 -18.600
  514    HB2  DGL   2           HB1      DGL   2  11.601   4.962 -18.427
  515    HB3  DGL   2           HB2      DGL   2  11.691   3.896 -19.812
  516    HG2  DGL   2           HG1      DGL   2  14.122   3.789 -19.706
  517    HG3  DGL   2           HG2      DGL   2  14.206   3.956 -17.949
  518    H    LYS   3           HN       LYS   3  12.727   6.331 -17.686
  519    HA   LYS   3           HA       LYS   3  13.096   8.452 -17.428
  520    HB2  LYS   3           HB2      LYS   3  15.525   7.400 -17.499
  521    HB3  LYS   3           HB1      LYS   3  15.706   8.676 -18.717
  522    HG2  LYS   3           HG2      LYS   3  14.348   9.177 -16.061
  523    HG3  LYS   3           HG1      LYS   3  16.096   9.262 -16.214
  524    HD2  LYS   3           HD2      LYS   3  15.862  11.492 -16.630
  525    HD3  LYS   3           HD1      LYS   3  15.437  10.879 -18.187
  526    HE2  LYS   3           HE1      LYS   3  13.042  11.113 -16.655
  527    HE3  LYS   3           HE2      LYS   3  14.104  12.699 -16.998
  528    HZ1  LYS   3           HZ1      LYS   3  11.836  12.223 -18.243
  529    HZ2  LYS   3           HZ2      LYS   3  12.918  11.386 -19.285
  530    HZ3  LYS   3           HZ3      LYS   3  13.230  12.987 -18.825
  531    H    DAL   4           HN       DAL   4  11.650   7.430 -19.427
  532    HA   DAL   4           HA       DAL   4   9.903   8.174 -21.204
  533    HB1  DAL   4           HB1      DAL   4  12.130   9.209 -22.762
  534    HB2  DAL   4           HB2      DAL   4  10.457   8.981 -23.270
  535    HB3  DAL   4           HB3      DAL   4  11.515   7.507 -22.935
  536    H    DAL   5           HN       DAL   5   8.601   9.197 -19.487
  537    HA   DAL   5           HA       DAL   5   7.496  11.111 -18.145
  538    HB1  DAL   5           HB1      DAL   5   9.183  12.280 -20.288
  539    HB2  DAL   5           HB2      DAL   5   7.955  13.211 -19.417
  540    HB3  DAL   5           HB3      DAL   5   7.496  11.934 -20.561
  541    H12  P1W 103           H12      TPL  10 -10.864  -8.645   2.404
  542    H11  P1W 103           H11      TPL  10  -9.762  -8.055   3.643
  543    H2   P1W 103           H2       TPL  10  -8.568  -7.598   1.025
  544    H43  P1W 103           H42      TPL  10  -7.420 -10.407  -0.115
  545    H42  P1W 103           H41      TPL  10  -6.763  -8.838   0.352
  546    H51  P1W 103           H51      TPL  10  -8.166 -11.041   3.176
  547    H52  P1W 103           H52      TPL  10  -8.799 -11.649   1.646
  548    H53  P1W 103           H53      TPL  10  -9.819 -10.650   2.683
  549    H12  P1W 104           H12      TPL  11  -5.796  -9.967   2.385
  550    H11  P1W 104           H11      TPL  11  -6.284 -11.517   1.701
  551    H2   P1W 104           H2       TPL  11  -3.826 -10.210   1.148
  552    H43  P1W 104           H42      TPL  11  -3.557 -11.606  -2.343
  553    H42  P1W 104           H41      TPL  11  -2.872 -10.300  -1.372
  554    H51  P1W 104           H51      TPL  11  -6.344 -12.438  -0.295
  555    H52  P1W 104           H52      TPL  11  -5.308 -12.928  -1.636
  556    H53  P1W 104           H53      TPL  11  -6.300 -11.475  -1.770
  557    H12  P1W 105           H12      TPL  11  11.962  -1.684  -2.291
  558    H11  P1W 105           H11      TPL  11  13.341  -0.699  -2.769
  559    H2   P1W 105           H2       TPL  11  12.500  -3.344  -3.891
  560    H43  P1W 105           H42      TPL  11  15.340  -2.999  -6.315
  561    H42  P1W 105           H41      TPL  11  14.362  -4.261  -5.562
  562    H51  P1W 105           H51      TPL  11  15.967  -1.346  -5.225
  563    H52  P1W 105           H52      TPL  11  15.366  -0.907  -3.626
  564    H53  P1W 105           H53      TPL  11  14.583  -0.268  -5.073
  565    H12  P1W 106           H12      TPL  12  -2.170 -12.078   0.302
  566    H11  P1W 106           H11      TPL  12  -2.649 -13.287  -0.895
  567    H2   P1W 106           H2       TPL  12  -0.478 -11.175  -1.238
  568    H43  P1W 106           H43      TPL  12   1.571 -13.624  -2.808
  569    H41  P1W 106           H41      TPL  12   1.410 -11.891  -2.499
  570    H42  P1W 106           H42      TPL  12   0.797 -12.581  -4.002
  571    H51  P1W 106           H51      TPL  12  -0.493 -14.802  -3.437
  572    H52  P1W 106           H52      TPL  12  -2.071 -14.121  -3.048
  573    H53  P1W 106           H53      TPL  12  -1.150 -14.971  -1.805
  574    H12  P1W 107           H12      TPL  12  13.112  -3.931  -7.446
  575    H11  P1W 107           H11      TPL  12  12.376  -2.692  -6.436
  576    H2   P1W 107           H2       TPL  12  14.292  -1.154  -7.511
  577    H43  P1W 107           H43      TPL  12  14.557  -0.208  -9.739
  578    H41  P1W 107           H41      TPL  12  13.048  -0.433 -10.632
  579    H42  P1W 107           H42      TPL  12  14.477  -1.376 -11.057
  580    H51  P1W 107           H51      TPL  12  13.513  -4.118  -9.731
  581    H52  P1W 107           H52      TPL  12  12.831  -3.083 -10.982
  582    H53  P1W 107           H53      TPL  12  11.893  -3.442  -9.530
  583    H12  P1W 103           H12      TPL  10  12.053  -4.596   1.903
  584    H11  P1W 103           H11      TPL  10  10.686  -3.754   1.180
  585    H2   P1W 103           H2       TPL  10  12.845  -4.631  -0.751
  586    H43  P1W 103           H42      TPL  10  14.445  -1.407  -0.974
  587    H42  P1W 103           H41      TPL  10  14.385  -3.049  -1.605
  588    H51  P1W 103           H51      TPL  10  12.160  -1.902   1.753
  589    H52  P1W 103           H52      TPL  10  11.985  -0.748   0.436
  590    H53  P1W 103           H53      TPL  10  13.573  -1.018   1.154
  591    H12  P1W 103           H12      TPL  10 -12.839   6.066  -0.426
  592    H11  P1W 103           H11      TPL  10 -11.139   5.793  -0.834
  593    H2   P1W 103           H2       TPL  10 -13.098   5.242  -2.658
  594    H43  P1W 103           H42      TPL  10 -11.539   5.694  -5.643
  595    H42  P1W 103           H41      TPL  10 -13.020   5.176  -4.840
  596    H51  P1W 103           H51      TPL  10  -9.911   7.020  -2.685
  597    H52  P1W 103           H52      TPL  10 -10.558   8.169  -3.859
  598    H53  P1W 103           H53      TPL  10  -9.766   6.697  -4.420
  599    H12  P1W 103           H12      TPL  10   6.614   3.984  -8.979
  600    H11  P1W 103           H11      TPL  10   6.497   5.550  -8.164
  601    H2   P1W 103           H2       TPL  10   3.978   4.060  -7.935
  602    H43  P1W 103           H42      TPL  10   2.111   4.993  -8.839
  603    H42  P1W 103           H41      TPL  10   2.232   5.894 -10.346
  604    H51  P1W 103           H51      TPL  10   4.877   4.479 -11.658
  605    H52  P1W 103           H52      TPL  10   5.851   5.613 -10.721
  606    H53  P1W 103           H53      TPL  10   4.371   6.168 -11.499
  607    H12  P1W 104           H12      TPL  11 -13.593   7.709  -4.850
  608    H11  P1W 104           H11      TPL  11 -12.398   7.808  -6.150
  609    H2   P1W 104           H2       TPL  11 -15.114   6.783  -6.331
  610    H43  P1W 104           H42      TPL  11 -14.386   4.961  -9.453
  611    H42  P1W 104           H41      TPL  11 -15.658   5.255  -8.259
  612    H51  P1W 104           H51      TPL  11 -11.777   5.566  -7.884
  613    H52  P1W 104           H52      TPL  11 -11.977   7.274  -8.279
  614    H53  P1W 104           H53      TPL  11 -12.411   6.034  -9.459
  615    H12  P1W 105           H12      TPL  11   2.508   3.739 -11.542
  616    H11  P1W 105           H11      TPL  11   2.209   2.878 -10.031
  617    H2   P1W 105           H2       TPL  11  -0.037   4.042  -9.889
  618    H43  P1W 105           H42      TPL  11  -1.974   4.634 -11.155
  619    H42  P1W 105           H41      TPL  11  -1.715   5.321 -12.762
  620    H51  P1W 105           H51      TPL  11   1.161   3.587 -13.569
  621    H52  P1W 105           H52      TPL  11   1.597   5.203 -13.013
  622    H53  P1W 105           H53      TPL  11   0.141   4.962 -13.981
  623    H12  P1W 106           H12      TPL  12 -16.437   6.766  -9.759
  624    H11  P1W 106           H11      TPL  12 -15.119   7.796  -9.202
  625    H2   P1W 106           H2       TPL  12 -13.768   7.265 -11.099
  626    H43  P1W 106           H43      TPL  12 -14.713   5.219 -13.939
  627    H41  P1W 106           H41      TPL  12 -13.556   6.436 -13.389
  628    H42  P1W 106           H42      TPL  12 -15.070   6.934 -14.140
  629    H51  P1W 106           H51      TPL  12 -16.827   5.047 -13.015
  630    H52  P1W 106           H52      TPL  12 -17.410   6.309 -11.933
  631    H53  P1W 106           H53      TPL  12 -16.696   4.841 -11.264
  632    H12  P1W 107           H12      TPL  12  -1.350   2.636 -13.212
  633    H11  P1W 107           H11      TPL  12  -2.607   2.629 -11.979
  634    H2   P1W 107           H2       TPL  12  -3.451   4.623 -13.775
  635    H43  P1W 107           H43      TPL  12  -4.495   2.782 -16.688
  636    H41  P1W 107           H41      TPL  12  -4.816   4.247 -15.752
  637    H42  P1W 107           H42      TPL  12  -5.723   2.773 -15.423
  638    H51  P1W 107           H51      TPL  12  -2.625   1.109 -15.539
  639    H52  P1W 107           H52      TPL  12  -4.225   0.690 -14.933
  640    H53  P1W 107           H53      TPL  12  -2.898   0.945 -13.800
  641    H1   MUB 101           H1       NAM   6 -10.387  -5.844  -1.382
  642    H2   MUB 101           H2       NAM   6 -12.524  -5.480  -2.033
  643    HN2  MUB 101           HN2      NAM   6 -13.964  -4.937  -0.397
  644    H81  MUB 101           H81      NAM   6 -16.118  -5.912   0.641
  645    H82  MUB 101           H82      NAM   6 -14.956  -5.554   1.912
  646    H83  MUB 101           H83      NAM   6 -15.666  -7.162   1.838
  647    H3   MUB 101           H3       NAM   6 -13.112  -8.384  -0.996
  648    H9   MUB 101           H9       NAM   6 -12.641  -6.847  -3.640
  649   H111  MUB 101          H111      NAM   6 -13.757  -4.714  -4.298
  650   H112  MUB 101          H112      NAM   6 -14.164  -5.163  -2.663
  651   H113  MUB 101          H113      NAM   6 -15.361  -5.466  -3.861
  652    H4A  MUB 101           H4       NAM   6 -11.198  -7.857  -3.331
  653    H5   MUB 101           H5       NAM   6 -10.226  -9.288  -0.903
  654    H61  MUB 101           H61      NAM   6  -8.317  -7.829  -0.945
  655    H62  MUB 101           H62      NAM   6  -9.032  -6.927  -2.347
  656    HO6  MUB 101           HO6      NAM   6  -8.978  -9.739  -2.708
  657    H1   NAG 102           H1       NAG   7 -13.485 -10.028  -2.152
  658    H2   NAG 102           H2       NAG   7 -11.447 -12.332  -3.034
  659    H3   NAG 102           H3       NAG   7 -14.352 -12.621  -1.949
  660    H4   NAG 102           H4       NAG   7 -11.892 -13.443  -0.431
  661    H5   NAG 102           H5       NAG   7 -13.728 -10.882   0.111
  662    H61  NAG 102           H61      NAG   7 -11.118 -11.450   1.479
  663    H62  NAG 102           H62      NAG   7 -12.662 -12.008   2.064
  664    H81  NAG 102           H81      NAG   7 -14.574 -12.342  -6.282
  665    H82  NAG 102           H82      NAG   7 -13.937 -10.713  -6.443
  666    H83  NAG 102           H83      NAG   7 -15.610 -10.926  -5.941
  667    HN2  NAG 102           HN2      NAG   7 -12.308 -12.027  -4.849
  668    HO3  NAG 102           HO3      NAG   7 -13.263 -14.116  -3.375
  669    HO4  NAG 102           HO4      NAG   7 -14.567 -13.116   0.309
  670    HO6  NAG 102           HO6      NAG   7 -12.081  -9.338   1.244
  671    H1   MUB 101           H1       NAM   6  14.435  -7.004  -3.213
  672    H2   MUB 101           H2       NAM   6  15.249  -8.932  -3.900
  673    HN2  MUB 101           HN2      NAM   6  14.611 -10.709  -2.667
  674    H81  MUB 101           H81      NAM   6  14.501 -11.733  -0.203
  675    H82  MUB 101           H82      NAM   6  16.170 -11.985   0.290
  676    H83  MUB 101           H83      NAM   6  15.658 -12.545  -1.298
  677    H3   MUB 101           H3       NAM   6  17.381  -8.616  -1.604
  678    H9   MUB 101           H9       NAM   6  16.981  -8.649  -4.658
  679   H111  MUB 101          H111      NAM   6  17.087 -11.736  -4.764
  680   H112  MUB 101          H112      NAM   6  16.646 -10.766  -6.145
  681   H113  MUB 101          H113      NAM   6  15.708 -10.543  -4.720
  682    H4A  MUB 101           H4       NAM   6  17.331  -6.863  -4.100
  683    H5   MUB 101           H5       NAM   6  17.073  -5.546  -1.461
  684    H61  MUB 101           H61      NAM   6  15.705  -4.122  -2.349
  685    H62  MUB 101           H62      NAM   6  14.766  -5.292  -3.347
  686    HO6  MUB 101           HO6      NAM   6  17.523  -4.216  -3.748
  687    H1   NAG 102           H1       NAG   7  19.153  -8.309  -1.730
  688    H2   NAG 102           H2       NAG   7  21.212  -5.910  -1.998
  689    H3   NAG 102           H3       NAG   7  21.497  -8.571  -0.394
  690    H4   NAG 102           H4       NAG   7  21.217  -5.847   0.833
  691    H5   NAG 102           H5       NAG   7  19.019  -8.159   0.691
  692    H61  NAG 102           H61      NAG   7  18.606  -5.397   1.800
  693    H62  NAG 102           H62      NAG   7  18.972  -6.825   2.728
  694    H81  NAG 102           H81      NAG   7  22.089 -10.566  -4.304
  695    H82  NAG 102           H82      NAG   7  23.145  -9.167  -4.426
  696    H83  NAG 102           H83      NAG   7  21.571  -9.118  -5.215
  697    HN2  NAG 102           HN2      NAG   7  21.748  -6.990  -3.653
  698    HO3  NAG 102           HO3      NAG   7  23.287  -7.469  -1.229
  699    HO4  NAG 102           HO4      NAG   7  22.236  -7.571   1.890
  700    HO6  NAG 102           HO6      NAG   7  16.914  -6.660   0.764
  701    H1   MUB 101           H1       NAM   6 -13.647  11.751  -2.323
  702    H2   MUB 101           H2       NAM   6 -15.410  12.244  -1.072
  703    HN2  MUB 101           HN2      NAM   6 -15.399  11.338   1.013
  704    H81  MUB 101           H81      NAM   6 -17.040   9.775   2.386
  705    H82  MUB 101           H82      NAM   6 -15.397   9.146   2.417
  706    H83  MUB 101           H83      NAM   6 -16.704   8.087   1.897
  707    H3   MUB 101           H3       NAM   6 -16.511   9.371  -1.792
  708    H9   MUB 101           H9       NAM   6 -16.866  12.386  -2.255
  709   H111  MUB 101          H111      NAM   6 -18.635  12.811   0.248
  710   H112  MUB 101          H112      NAM   6 -17.968  14.125  -0.685
  711   H113  MUB 101          H113      NAM   6 -16.842  12.992  -0.045
  712    H4A  MUB 101           H4       NAM   6 -16.198  11.604  -3.893
  713    H5   MUB 101           H5       NAM   6 -14.805   8.990  -4.264
  714    H61  MUB 101           H61      NAM   6 -14.399  10.932  -5.595
  715    H62  MUB 101           H62      NAM   6 -12.828  10.336  -4.975
  716    HO6  MUB 101           HO6      NAM   6 -13.395  12.757  -4.756
  717    H1   NAG 102           H1       NAG   7 -18.220   9.077  -2.939
  718    H2   NAG 102           H2       NAG   7 -18.126   8.131  -5.969
  719    H3   NAG 102           H3       NAG   7 -19.814   6.962  -3.607
  720    H4   NAG 102           H4       NAG   7 -17.515   5.571  -4.946
  721    H5   NAG 102           H5       NAG   7 -17.566   6.884  -2.035
  722    H61  NAG 102           H61      NAG   7 -15.120   5.730  -3.361
  723    H62  NAG 102           H62      NAG   7 -16.217   4.816  -2.350
  724    H81  NAG 102           H81      NAG   7 -22.114  10.805  -3.724
  725    H82  NAG 102           H82      NAG   7 -22.197  10.120  -5.341
  726    H83  NAG 102           H83      NAG   7 -21.085  11.451  -5.036
  727    HN2  NAG 102           HN2      NAG   7 -19.655   9.508  -6.099
  728    HO3  NAG 102           HO3      NAG   7 -20.494   6.840  -5.764
  729    HO4  NAG 102           HO4      NAG   7 -19.172   4.428  -3.949
  730    HO6  NAG 102           HO6      NAG   7 -15.417   7.337  -1.495
  731    H1   MUB 101           H1       NAM   6   9.987   2.230 -10.756
  732    H2   MUB 101           H2       NAM   6  11.546   3.462  -9.643
  733    HN2  MUB 101           HN2      NAM   6  10.865   4.970  -8.096
  734    H81  MUB 101           H81      NAM   6   9.056   7.088  -7.734
  735    H82  MUB 101           H82      NAM   6   9.778   8.329  -8.751
  736    H83  MUB 101           H83      NAM   6  10.817   7.399  -7.678
  737    H3   MUB 101           H3       NAM   6  10.695   5.857 -11.466
  738    H9   MUB 101           H9       NAM   6  12.572   3.432 -11.341
  739   H111  MUB 101          H111      NAM   6  14.660   4.745  -9.477
  740   H112  MUB 101          H112      NAM   6  14.699   3.055  -9.907
  741   H113  MUB 101          H113      NAM   6  13.255   3.623  -9.165
  742    H4A  MUB 101           H4       NAM   6  11.459   3.302 -12.892
  743    H5   MUB 101           H5       NAM   6   8.698   4.410 -13.271
  744    H61  MUB 101           H61      NAM   6   9.524   2.331 -14.197
  745    H62  MUB 101           H62      NAM   6   7.942   2.062 -13.386
  746    HO6  MUB 101           HO6      NAM   6   9.226   0.703 -12.060
  747    H1   NAG 102           H1       NAG   7  11.452   6.621 -12.841
  748    H2   NAG 102           H2       NAG   7  10.980   6.535 -15.947
  749    H3   NAG 102           H3       NAG   7  11.542   9.059 -14.193
  750    H4   NAG 102           H4       NAG   7   8.908   8.454 -15.493
  751    H5   NAG 102           H5       NAG   7   9.650   8.222 -12.391
  752    H61  NAG 102           H61      NAG   7   7.002   7.477 -13.629
  753    H62  NAG 102           H62      NAG   7   7.376   9.024 -12.906
  754    H81  NAG 102           H81      NAG   7  15.613   7.299 -13.489
  755    H82  NAG 102           H82      NAG   7  15.398   7.496 -15.222
  756    H83  NAG 102           H83      NAG   7  15.244   5.887 -14.523
  757    HN2  NAG 102           HN2      NAG   7  13.037   6.362 -15.907
  758    HO3  NAG 102           HO3      NAG   7  10.588   9.773 -16.297
  759    HO4  NAG 102           HO4      NAG   7   9.333  10.521 -15.114
  760    HO6  NAG 102           HO6      NAG   7   8.233   6.952 -11.406
  Start of MODEL   22
    1    H    ZAE   1           HN1      DPH   1   8.404 -15.109  -4.099
    2    HA   ZAE   1           HA       DPH   1   6.792 -14.050  -5.494
    3    HB2  ZAE   1           HB1      DPH   1   9.391 -12.556  -5.163
    4    HB3  ZAE   1           HB2      DPH   1   9.000 -13.810  -6.333
    5    HD1  ZAE   1           HD1      DPH   1   6.926 -13.188  -7.906
    6    HD2  ZAE   1           HD2      DPH   1   9.434 -10.378  -5.921
    7    HE1  ZAE   1           HE1      DPH   1   6.312 -11.470  -9.560
    8    HE2  ZAE   1           HE2      DPH   1   8.821  -8.664  -7.574
    9    HZ   ZAE   1           HZ       DPH   1   7.260  -9.208  -9.393
   10    H11  ZAE   1          HN11      DPH   1   8.533 -12.529  -2.696
   11    H12  ZAE   1          HN12      DPH   1   9.850 -13.404  -3.480
   12    H13  ZAE   1          HN13      DPH   1   9.116 -14.048  -2.009
   13    HN2  ZAE   1           HN2      DPH   1   7.123 -14.535  -3.154
   14    H    ILE   2           HN       ILE   2   4.937 -13.083  -4.954
   15    HA   ILE   2           HA       ILE   2   5.076 -10.284  -4.107
   16    HB   ILE   2           HB       ILE   2   3.781 -11.096  -6.223
   17   HG12  ILE   2          HG12      ILE   2   2.461  -9.301  -4.177
   18   HG13  ILE   2          HG11      ILE   2   3.642  -8.815  -5.380
   19   HG21  ILE   2          HG21      ILE   2   1.433 -11.728  -5.800
   20   HG22  ILE   2          HG22      ILE   2   1.800 -11.849  -4.077
   21   HG23  ILE   2          HG23      ILE   2   2.583 -12.934  -5.223
   22   HD11  ILE   2          HD11      ILE   2   0.891  -9.863  -5.971
   23   HD12  ILE   2          HD12      ILE   2   2.072  -9.289  -7.150
   24   HD13  ILE   2          HD13      ILE   2   1.376  -8.167  -5.981
   25    H    SER   3           HN       SER   3   4.077  -9.575  -2.267
   26    HA   SER   3           HA       SER   3   2.316 -11.320  -0.782
   27    HB2  SER   3           HB2      SER   3   4.850 -10.327   0.539
   28    HB3  SER   3           HB1      SER   3   3.530 -11.165   1.349
   29    HG   SER   3           HG       SER   3   4.412 -12.596  -0.765
   30    H    DAR   4           HN       DAR   4   1.055 -10.294   0.703
   31    HA   DAR   4           HA       DAR   4   1.040  -7.362   0.483
   32    HB2  DAR   4           HB1      DAR   4   0.305  -9.144   2.794
   33    HB3  DAR   4           HB2      DAR   4  -0.041  -7.418   2.736
   34    HG2  DAR   4           HG1      DAR   4   2.381  -7.002   2.466
   35    HG3  DAR   4           HG2      DAR   4   2.658  -8.734   2.693
   36    HD2  DAR   4           HD1      DAR   4   1.355  -8.488   4.859
   37    HD3  DAR   4           HD2      DAR   4   1.535  -6.746   4.645
   38    HE   DAR   4           HE       DAR   4   3.663  -8.674   5.179
   39   HH11  DAR   4          HH21      DAR   4   5.698  -6.015   6.274
   40   HH12  DAR   4          HH22      DAR   4   5.511  -7.804   6.213
   41   HH21  DAR   4          HH11      DAR   4   4.067  -4.653   5.407
   42   HH22  DAR   4          HH12      DAR   4   2.678  -5.374   4.517
   43    HA   28J   5           HA       28J   5  -3.181  -8.165  -0.240
   44    H22  28J   5           HB       28J   5  -2.061  -8.586  -2.564
   45    H23  28J   5          HG21      28J   5  -4.278  -8.771  -3.587
   46    H24  28J   5          HG22      28J   5  -4.957  -7.760  -2.311
   47    H25  28J   5          HG23      28J   5  -4.292  -9.347  -1.921
   48    H26  28J   5          HG11      28J   5  -1.781  -6.084  -2.974
   49    H27  28J   5          HG12      28J   5  -3.531  -6.008  -3.152
   50    H28  28J   5          HD11      28J   5  -3.440  -7.501  -5.048
   51    H29  28J   5          HD12      28J   5  -1.696  -7.670  -4.859
   52    H30  28J   5          HD13      28J   5  -2.389  -6.110  -5.306
   53    H    ILE   6           HN       ILE   6  -5.077  -7.008  -0.448
   54    HA   ILE   6           HA       ILE   6  -4.876  -4.072  -0.361
   55    HB   ILE   6           HB       ILE   6  -6.185  -4.756  -2.203
   56   HG12  ILE   6          HG12      ILE   6  -8.110  -4.073   0.036
   57   HG13  ILE   6          HG11      ILE   6  -7.188  -2.917  -0.921
   58   HG21  ILE   6          HG21      ILE   6  -7.478  -6.727  -0.338
   59   HG22  ILE   6          HG22      ILE   6  -6.610  -7.034  -1.843
   60   HG23  ILE   6          HG23      ILE   6  -8.206  -6.282  -1.883
   61   HD11  ILE   6          HD11      ILE   6  -8.382  -3.640  -2.916
   62   HD12  ILE   6          HD12      ILE   6  -9.473  -3.038  -1.664
   63   HD13  ILE   6          HD13      ILE   6  -9.310  -4.773  -1.932
   64    H    SER   7           HN       SER   7  -5.676  -2.949   1.404
   65    HA   SER   7           HA       SER   7  -7.385  -4.307   3.368
   66    HB2  SER   7           HB2      SER   7  -5.588  -2.884   4.949
   67    HB3  SER   7           HB1      SER   7  -5.693  -4.646   4.815
   68    HG   SER   7           HG       SER   7  -4.335  -3.448   2.753
   69    H    DTH   8           HN       DTC   8  -7.331  -2.550   5.394
   70    HA   DTH   8           HA       DTC   8  -7.736   0.141   4.165
   71    HB   DTH   8           HB       DTC   8  -7.884   1.081   6.481
   72   HG21  DTH   8          HG21      DTC   8  -5.705   1.012   5.319
   73   HG22  DTH   8          HG22      DTC   8  -5.368  -0.566   6.035
   74   HG23  DTH   8          HG23      DTC   8  -5.533   0.856   7.066
   75    H    ALA   9           HN       ALA   9  -9.205  -2.669   5.037
   76    HA   ALA   9           HA       ALA   9 -11.830  -1.527   5.178
   77    HB1  ALA   9           HB1      ALA   9 -10.744  -4.317   5.084
   78    HB2  ALA   9           HB2      ALA   9 -11.549  -3.419   3.784
   79    HB3  ALA   9           HB3      ALA   9 -12.444  -3.921   5.210
   80    H    LEU  10           HN       LEU  10 -10.030  -3.900   7.312
   81    HA   LEU  10           HA       LEU  10 -11.777  -3.183   9.503
   82    HB2  LEU  10           HB2      LEU  10  -9.166  -4.693   9.592
   83    HB3  LEU  10           HB1      LEU  10 -10.272  -4.493  10.935
   84    HG   LEU  10           HG       LEU  10 -11.872  -5.891   9.995
   85   HD11  LEU  10          HD11      LEU  10 -10.324  -6.031   7.455
   86   HD12  LEU  10          HD12      LEU  10 -11.606  -4.850   7.717
   87   HD13  LEU  10          HD13      LEU  10 -11.971  -6.576   7.754
   88   HD21  LEU  10          HD21      LEU  10  -9.799  -6.976  10.876
   89   HD22  LEU  10          HD22      LEU  10  -9.292  -7.152   9.202
   90   HD23  LEU  10          HD23      LEU  10 -10.752  -7.959   9.761
   91    H    ILE  11           HN       ILE  11  -8.428  -2.631   8.673
   92    HA   ILE  11           HA       ILE  11  -8.480  -0.335  10.559
   93    HB   ILE  11           HB       ILE  11  -5.872  -1.615   9.846
   94   HG12  ILE  11          HG12      ILE  11  -7.436  -2.512  12.255
   95   HG13  ILE  11          HG11      ILE  11  -7.617  -3.341  10.713
   96   HG21  ILE  11          HG21      ILE  11  -6.891  -0.216  12.320
   97   HG22  ILE  11          HG22      ILE  11  -5.939   0.531  11.037
   98   HG23  ILE  11          HG23      ILE  11  -5.232  -0.742  12.032
   99   HD11  ILE  11          HD11      ILE  11  -5.061  -3.007  12.261
  100   HD12  ILE  11          HD12      ILE  11  -5.219  -3.816  10.702
  101   HD13  ILE  11          HD13      ILE  11  -6.021  -4.480  12.126
  102    H    ZAE   1           HN1      DPH   1  -9.150   4.699   2.339
  103    HA   ZAE   1           HA       DPH   1  -9.000   3.604   0.288
  104    HB2  ZAE   1           HB1      DPH   1 -10.847   2.307   2.273
  105    HB3  ZAE   1           HB2      DPH   1 -11.219   3.440   0.978
  106    HD1  ZAE   1           HD1      DPH   1 -10.786   2.580  -1.445
  107    HD2  ZAE   1           HD2      DPH   1 -11.248   0.026   1.943
  108    HE1  ZAE   1           HE1      DPH   1 -11.344   0.690  -2.926
  109    HE2  ZAE   1           HE2      DPH   1 -11.804  -1.841   0.431
  110    HZ   ZAE   1           HZ       DPH   1 -11.852  -1.498  -1.991
  111    H11  ZAE   1          HN11      DPH   1  -8.926   2.032   3.508
  112    H12  ZAE   1          HN12      DPH   1 -10.175   3.255   3.764
  113    H13  ZAE   1          HN13      DPH   1  -8.557   3.495   4.426
  114    HN2  ZAE   1           HN2      DPH   1  -7.670   3.878   2.334
  115    H    ILE   2           HN       ILE   2  -7.606   2.395  -0.760
  116    HA   ILE   2           HA       ILE   2  -7.199  -0.362   0.033
  117    HB   ILE   2           HB       ILE   2  -7.438   0.072  -2.344
  118   HG12  ILE   2          HG12      ILE   2  -4.556  -0.569  -1.744
  119   HG13  ILE   2          HG11      ILE   2  -5.878  -1.704  -1.549
  120   HG21  ILE   2          HG21      ILE   2  -5.807   1.412  -3.604
  121   HG22  ILE   2          HG22      ILE   2  -5.033   1.880  -2.087
  122   HG23  ILE   2          HG23      ILE   2  -6.690   2.375  -2.422
  123   HD11  ILE   2          HD11      ILE   2  -5.135  -0.402  -4.143
  124   HD12  ILE   2          HD12      ILE   2  -6.298  -1.707  -3.890
  125   HD13  ILE   2          HD13      ILE   2  -4.579  -1.991  -3.617
  126    H    SER   3           HN       SER   3  -5.730  -0.908   1.416
  127    HA   SER   3           HA       SER   3  -3.242   0.633   1.507
  128    HB2  SER   3           HB2      SER   3  -4.760  -0.547   3.828
  129    HB3  SER   3           HB1      SER   3  -3.070  -0.046   3.930
  130    HG   SER   3           HG       SER   3  -4.533   1.926   2.838
  131    H    DAR   4           HN       DAR   4  -1.468  -0.511   2.191
  132    HA   DAR   4           HA       DAR   4  -1.631  -3.399   1.637
  133    HB2  DAR   4           HB1      DAR   4   0.523  -2.001   3.209
  134    HB3  DAR   4           HB2      DAR   4   0.266  -3.731   3.049
  135    HG2  DAR   4           HG1      DAR   4  -1.781  -3.566   4.343
  136    HG3  DAR   4           HG2      DAR   4  -1.560  -1.819   4.468
  137    HD2  DAR   4           HD1      DAR   4   0.544  -2.170   5.651
  138    HD3  DAR   4           HD2      DAR   4   0.308  -3.915   5.550
  139    HE   DAR   4           HE       DAR   4  -1.648  -2.204   6.911
  140   HH11  DAR   4          HH21      DAR   4  -1.560  -4.390   9.646
  141   HH12  DAR   4          HH22      DAR   4  -2.299  -2.899   8.963
  142   HH21  DAR   4          HH11      DAR   4   0.063  -5.527   8.448
  143   HH22  DAR   4          HH12      DAR   4   0.562  -4.922   6.828
  144    HA   28J   5           HA       28J   5   1.774  -2.514  -0.926
  145    H22  28J   5           HB       28J   5  -0.408  -1.664  -2.153
  146    H23  28J   5          HG21      28J   5   2.258  -2.234  -3.418
  147    H24  28J   5          HG22      28J   5   1.693  -0.724  -2.703
  148    H25  28J   5          HG23      28J   5   1.009  -1.292  -4.228
  149    H26  28J   5          HG11      28J   5  -0.886  -4.095  -2.873
  150    H27  28J   5          HG12      28J   5   0.426  -3.871  -4.025
  151    H28  28J   5          HD11      28J   5  -0.773  -2.022  -5.056
  152    H29  28J   5          HD12      28J   5  -2.090  -2.229  -3.902
  153    H30  28J   5          HD13      28J   5  -1.730  -3.503  -5.067
  154    H    ILE   6           HN       ILE   6   3.320  -3.661  -1.784
  155    HA   ILE   6           HA       ILE   6   2.855  -6.519  -2.246
  156    HB   ILE   6           HB       ILE   6   2.415  -5.942  -4.391
  157   HG12  ILE   6          HG12      ILE   6   4.759  -7.183  -4.099
  158   HG13  ILE   6          HG11      ILE   6   4.083  -6.793  -5.676
  159   HG21  ILE   6          HG21      ILE   6   2.466  -3.668  -4.559
  160   HG22  ILE   6          HG22      ILE   6   3.846  -4.065  -5.575
  161   HG23  ILE   6          HG23      ILE   6   4.099  -3.531  -3.912
  162   HD11  ILE   6          HD11      ILE   6   5.459  -4.773  -5.706
  163   HD12  ILE   6          HD12      ILE   6   6.395  -6.269  -5.623
  164   HD13  ILE   6          HD13      ILE   6   6.172  -5.283  -4.177
  165    H    SER   7           HN       SER   7   4.574  -7.833  -1.724
  166    HA   SER   7           HA       SER   7   7.304  -6.983  -1.904
  167    HB2  SER   7           HB2      SER   7   7.413  -7.411   0.766
  168    HB3  SER   7           HB1      SER   7   7.285  -5.807   0.032
  169    HG   SER   7           HG       SER   7   4.857  -6.814   0.176
  170    H    DTH   8           HN       DTC   8   8.758  -8.379  -0.423
  171    HA   DTH   8           HA       DTC   8   8.005 -11.207  -0.518
  172    HB   DTH   8           HB       DTC   8   9.061 -11.737   1.668
  173   HG21  DTH   8          HG21      DTC   8   7.337 -10.795   3.151
  174   HG22  DTH   8          HG22      DTC   8   6.624 -11.341   1.633
  175   HG23  DTH   8          HG23      DTC   8   6.891  -9.620   1.914
  176    H    ALA   9           HN       ALA   9  10.494  -9.194  -1.536
  177    HA   ALA   9           HA       ALA   9  12.626 -11.003  -1.373
  178    HB1  ALA   9           HB1      ALA   9  12.410  -9.378  -3.173
  179    HB2  ALA   9           HB2      ALA   9  13.948  -9.178  -2.335
  180    HB3  ALA   9           HB3      ALA   9  12.621  -8.065  -2.016
  181    H    LEU  10           HN       LEU  10  12.288  -7.855  -0.080
  182    HA   LEU  10           HA       LEU  10  14.558  -8.037   1.635
  183    HB2  LEU  10           HB2      LEU  10  12.318  -5.999   1.619
  184    HB3  LEU  10           HB1      LEU  10  13.784  -5.871   2.570
  185    HG   LEU  10           HG       LEU  10  15.144  -5.579   0.625
  186   HD11  LEU  10          HD11      LEU  10  14.390  -7.051  -0.947
  187   HD12  LEU  10          HD12      LEU  10  13.868  -5.510  -1.629
  188   HD13  LEU  10          HD13      LEU  10  12.714  -6.537  -0.782
  189   HD21  LEU  10          HD21      LEU  10  14.339  -3.538  -0.302
  190   HD22  LEU  10          HD22      LEU  10  13.778  -3.583   1.368
  191   HD23  LEU  10          HD23      LEU  10  12.663  -3.958   0.054
  192    H    ILE  11           HN       ILE  11  11.140  -8.458   1.973
  193    HA   ILE  11           HA       ILE  11  11.495  -9.530   4.692
  194    HB   ILE  11           HB       ILE  11   9.359  -7.427   4.173
  195   HG12  ILE  11          HG12      ILE  11  11.965  -7.148   5.702
  196   HG13  ILE  11          HG11      ILE  11  11.465  -6.217   4.296
  197   HG21  ILE  11          HG21      ILE  11  10.243  -8.855   6.671
  198   HG22  ILE  11          HG22      ILE  11   8.740  -9.115   5.786
  199   HG23  ILE  11          HG23      ILE  11   9.027  -7.579   6.606
  200   HD11  ILE  11          HD11      ILE  11  10.174  -6.122   7.020
  201   HD12  ILE  11          HD12      ILE  11   9.697  -5.168   5.616
  202   HD13  ILE  11          HD13      ILE  11  11.280  -4.921   6.354
  203    H    ZAE   1           HN1      DPH   1   8.400  -5.190   1.431
  204    HA   ZAE   1           HA       DPH   1   8.373  -3.783  -0.438
  205    HB2  ZAE   1           HB1      DPH   1   9.871  -2.683   1.941
  206    HB3  ZAE   1           HB2      DPH   1  10.461  -3.819   0.736
  207    HD1  ZAE   1           HD1      DPH   1  11.201  -3.069  -1.431
  208    HD2  ZAE   1           HD2      DPH   1   9.692  -0.330   1.465
  209    HE1  ZAE   1           HE1      DPH   1  12.118  -1.191  -2.738
  210    HE2  ZAE   1           HE2      DPH   1  10.598   1.558   0.165
  211    HZ   ZAE   1           HZ       DPH   1  11.816   1.128  -1.941
  212    H11  ZAE   1          HN11      DPH   1   9.058  -3.931   3.184
  213    H12  ZAE   1          HN12      DPH   1   7.391  -4.390   3.544
  214    H13  ZAE   1          HN13      DPH   1   7.748  -2.777   2.921
  215    HN2  ZAE   1           HN2      DPH   1   6.860  -4.503   1.305
  216    H    ILE   2           HN       ILE   2   6.409  -2.844  -0.966
  217    HA   ILE   2           HA       ILE   2   6.175  -0.054  -0.109
  218    HB   ILE   2           HB       ILE   2   6.306  -0.433  -2.500
  219   HG12  ILE   2          HG12      ILE   2   3.578   0.442  -1.605
  220   HG13  ILE   2          HG11      ILE   2   4.997   1.460  -1.744
  221   HG21  ILE   2          HG21      ILE   2   4.597  -1.631  -3.776
  222   HG22  ILE   2          HG22      ILE   2   3.784  -2.095  -2.280
  223   HG23  ILE   2          HG23      ILE   2   5.401  -2.702  -2.630
  224   HD11  ILE   2          HD11      ILE   2   3.381   1.762  -3.548
  225   HD12  ILE   2          HD12      ILE   2   3.615   0.075  -4.007
  226   HD13  ILE   2          HD13      ILE   2   4.959   1.215  -4.122
  227    H    SER   3           HN       SER   3   4.769   0.511   1.445
  228    HA   SER   3           HA       SER   3   2.195  -0.909   1.445
  229    HB2  SER   3           HB2      SER   3   3.626  -0.037   3.949
  230    HB3  SER   3           HB1      SER   3   2.082  -0.880   3.858
  231    HG   SER   3           HG       SER   3   4.202  -2.124   2.586
  232    H    DAR   4           HN       DAR   4   0.492   0.174   1.620
  233    HA   DAR   4           HA       DAR   4   0.561   3.102   1.635
  234    HB2  DAR   4           HB1      DAR   4  -1.380   1.474   3.300
  235    HB3  DAR   4           HB2      DAR   4  -1.350   3.222   3.145
  236    HG2  DAR   4           HG1      DAR   4   0.809   3.289   4.284
  237    HG3  DAR   4           HG2      DAR   4   0.751   1.531   4.460
  238    HD2  DAR   4           HD1      DAR   4  -1.437   1.823   5.641
  239    HD3  DAR   4           HD2      DAR   4  -1.123   3.555   5.646
  240    HE   DAR   4           HE       DAR   4   0.626   1.589   6.955
  241   HH11  DAR   4          HH21      DAR   4   1.030   3.893   9.596
  242   HH12  DAR   4          HH22      DAR   4   1.536   2.297   8.940
  243   HH21  DAR   4          HH11      DAR   4  -0.379   5.242   8.399
  244   HH22  DAR   4          HH12      DAR   4  -0.985   4.708   6.791
  245    HA   28J   5           HA       28J   5  -3.023   2.209  -0.792
  246    H22  28J   5           HB       28J   5  -1.318   1.315  -2.243
  247    H23  28J   5          HG21      28J   5  -2.304   1.898  -4.465
  248    H24  28J   5          HG22      28J   5  -3.258   3.139  -3.654
  249    H25  28J   5          HG23      28J   5  -3.485   1.441  -3.238
  250    H26  28J   5          HG11      28J   5   0.137   3.345  -2.084
  251    H27  28J   5          HG12      28J   5  -0.916   4.128  -3.256
  252    H28  28J   5          HD11      28J   5   0.702   1.641  -3.724
  253    H29  28J   5          HD12      28J   5   1.073   3.260  -4.317
  254    H30  28J   5          HD13      28J   5  -0.363   2.416  -4.895
  255    H    ILE   6           HN       ILE   6  -4.754   3.410  -1.597
  256    HA   ILE   6           HA       ILE   6  -4.335   6.299  -1.875
  257    HB   ILE   6           HB       ILE   6  -4.076   5.618  -4.211
  258   HG12  ILE   6          HG12      ILE   6  -6.532   7.112  -3.424
  259   HG13  ILE   6          HG11      ILE   6  -5.115   7.676  -4.277
  260   HG21  ILE   6          HG21      ILE   6  -5.844   4.543  -5.450
  261   HG22  ILE   6          HG22      ILE   6  -6.831   4.448  -3.988
  262   HG23  ILE   6          HG23      ILE   6  -5.347   3.505  -4.111
  263   HD11  ILE   6          HD11      ILE   6  -7.358   6.049  -5.438
  264   HD12  ILE   6          HD12      ILE   6  -5.921   6.570  -6.287
  265   HD13  ILE   6          HD13      ILE   6  -7.046   7.757  -5.696
  266    H    SER   7           HN       SER   7  -5.875   7.447  -1.119
  267    HA   SER   7           HA       SER   7  -8.645   6.601  -1.232
  268    HB2  SER   7           HB2      SER   7  -8.717   6.842   1.307
  269    HB3  SER   7           HB1      SER   7  -7.980   5.371   0.655
  270    HG   SER   7           HG       SER   7  -5.983   6.775   0.752
  271    H    DTH   8           HN       DTC   8 -10.129   8.062  -0.227
  272    HA   DTH   8           HA       DTC   8  -9.326  10.857  -0.125
  273    HB   DTH   8           HB       DTC   8 -10.149  11.301   2.148
  274   HG21  DTH   8          HG21      DTC   8  -8.190   8.969   2.088
  275   HG22  DTH   8          HG22      DTC   8  -8.419  10.074   3.446
  276   HG23  DTH   8          HG23      DTC   8  -7.784  10.674   1.914
  277    H    ALA   9           HN       ALA   9 -12.087   8.576  -0.058
  278    HA   ALA   9           HA       ALA   9 -13.986  10.715  -0.459
  279    HB1  ALA   9           HB1      ALA   9 -14.988   8.124  -0.849
  280    HB2  ALA   9           HB2      ALA   9 -13.346   8.087  -1.469
  281    HB3  ALA   9           HB3      ALA   9 -14.498   9.274  -2.100
  282    H    LEU  10           HN       LEU  10 -14.506   7.450   0.941
  283    HA   LEU  10           HA       LEU  10 -16.174   8.143   3.051
  284    HB2  LEU  10           HB2      LEU  10 -14.062   5.967   3.028
  285    HB3  LEU  10           HB1      LEU  10 -15.316   6.101   4.243
  286    HG   LEU  10           HG       LEU  10 -16.632   4.832   3.007
  287   HD11  LEU  10          HD11      LEU  10 -16.236   6.906   0.866
  288   HD12  LEU  10          HD12      LEU  10 -17.487   6.905   2.109
  289   HD13  LEU  10          HD13      LEU  10 -17.487   5.663   0.858
  290   HD21  LEU  10          HD21      LEU  10 -14.758   3.674   2.160
  291   HD22  LEU  10          HD22      LEU  10 -14.367   4.974   1.034
  292   HD23  LEU  10          HD23      LEU  10 -15.808   4.001   0.791
  293    H    ILE  11           HN       ILE  11 -12.747   7.820   2.975
  294    HA   ILE  11           HA       ILE  11 -12.514   9.445   5.449
  295    HB   ILE  11           HB       ILE  11 -10.535   7.216   4.877
  296   HG12  ILE  11          HG12      ILE  11 -12.848   7.142   6.841
  297   HG13  ILE  11          HG11      ILE  11 -12.740   6.186   5.368
  298   HG21  ILE  11          HG21      ILE  11 -11.085   8.780   7.401
  299   HG22  ILE  11          HG22      ILE  11  -9.772   9.112   6.271
  300   HG23  ILE  11          HG23      ILE  11  -9.810   7.587   7.156
  301   HD11  ILE  11          HD11      ILE  11 -10.999   5.971   7.819
  302   HD12  ILE  11          HD12      ILE  11 -10.684   5.116   6.310
  303   HD13  ILE  11          HD13      ILE  11 -12.161   4.789   7.216
  304    H    ZAE   1           HN1      DPH   1  -8.927  14.093  -3.466
  305    HA   ZAE   1           HA       DPH   1  -7.251  13.024  -4.786
  306    HB2  ZAE   1           HB1      DPH   1  -9.932  11.688  -4.559
  307    HB3  ZAE   1           HB2      DPH   1  -9.341  12.778  -5.806
  308    HD1  ZAE   1           HD1      DPH   1  -6.821  11.539  -6.625
  309    HD2  ZAE   1           HD2      DPH   1 -10.553   9.729  -5.621
  310    HE1  ZAE   1           HE1      DPH   1  -6.263   9.600  -8.046
  311    HE2  ZAE   1           HE2      DPH   1  -9.999   7.789  -7.036
  312    HZ   ZAE   1           HZ       DPH   1  -7.853   7.723  -8.251
  313    H11  ZAE   1          HN11      DPH   1  -9.142  11.488  -2.142
  314    H12  ZAE   1          HN12      DPH   1 -10.418  12.472  -2.862
  315    H13  ZAE   1          HN13      DPH   1  -9.650  12.988  -1.360
  316    HN2  ZAE   1           HN2      DPH   1  -7.682  13.533  -2.466
  317    H    ILE   2           HN       ILE   2  -5.461  11.862  -4.490
  318    HA   ILE   2           HA       ILE   2  -5.724   9.125  -3.505
  319    HB   ILE   2           HB       ILE   2  -4.589   9.171  -5.564
  320   HG12  ILE   2          HG12      ILE   2  -2.182   9.156  -3.798
  321   HG13  ILE   2          HG11      ILE   2  -3.435   7.961  -3.533
  322   HG21  ILE   2          HG21      ILE   2  -2.882  11.446  -4.531
  323   HG22  ILE   2          HG22      ILE   2  -4.113  11.529  -5.792
  324   HG23  ILE   2          HG23      ILE   2  -2.630  10.618  -6.069
  325   HD11  ILE   2          HD11      ILE   2  -3.144   7.161  -5.794
  326   HD12  ILE   2          HD12      ILE   2  -1.623   7.127  -4.903
  327   HD13  ILE   2          HD13      ILE   2  -1.925   8.407  -6.081
  328    H    SER   3           HN       SER   3  -5.662   9.048  -1.259
  329    HA   SER   3           HA       SER   3  -3.361  10.467  -0.066
  330    HB2  SER   3           HB2      SER   3  -5.907   9.575   1.297
  331    HB3  SER   3           HB1      SER   3  -4.549  10.361   2.096
  332    HG   SER   3           HG       SER   3  -5.692  11.634  -0.116
  333    H    DAR   4           HN       DAR   4  -1.896   9.514   1.079
  334    HA   DAR   4           HA       DAR   4  -1.898   6.575   1.301
  335    HB2  DAR   4           HB1      DAR   4  -0.874   8.556   3.350
  336    HB3  DAR   4           HB2      DAR   4  -0.681   6.811   3.433
  337    HG2  DAR   4           HG1      DAR   4  -3.133   6.586   3.504
  338    HG3  DAR   4           HG2      DAR   4  -3.247   8.350   3.584
  339    HD2  DAR   4           HD1      DAR   4  -1.707   8.231   5.569
  340    HD3  DAR   4           HD2      DAR   4  -1.948   6.486   5.546
  341    HE   DAR   4           HE       DAR   4  -3.891   8.509   6.276
  342   HH11  DAR   4          HH21      DAR   4  -6.012   5.978   7.514
  343   HH12  DAR   4          HH22      DAR   4  -5.766   7.753   7.363
  344   HH21  DAR   4          HH11      DAR   4  -4.601   4.525   6.451
  345   HH22  DAR   4          HH12      DAR   4  -3.193   5.153   5.524
  346    HA   28J   5           HA       28J   5   2.255   7.380   0.162
  347    H22  28J   5           HB       28J   5   0.933   7.775  -2.041
  348    H23  28J   5          HG21      28J   5   3.169   8.607  -1.604
  349    H24  28J   5          HG22      28J   5   3.071   7.978  -3.249
  350    H25  28J   5          HG23      28J   5   3.856   7.028  -1.986
  351    H26  28J   5          HG11      28J   5   0.564   5.355  -2.461
  352    H27  28J   5          HG12      28J   5   2.305   5.141  -2.618
  353    H28  28J   5          HD11      28J   5   2.337   6.574  -4.560
  354    H29  28J   5          HD12      28J   5   0.607   6.873  -4.391
  355    H30  28J   5          HD13      28J   5   1.190   5.254  -4.781
  356    H    ILE   6           HN       ILE   6   4.171   6.201  -0.059
  357    HA   ILE   6           HA       ILE   6   3.883   3.263   0.043
  358    HB   ILE   6           HB       ILE   6   5.933   2.918  -1.123
  359   HG12  ILE   6          HG12      ILE   6   6.324   5.917  -1.282
  360   HG13  ILE   6          HG11      ILE   6   7.115   4.905  -0.092
  361   HG21  ILE   6          HG21      ILE   6   5.490   3.798  -3.285
  362   HG22  ILE   6          HG22      ILE   6   4.584   5.147  -2.589
  363   HG23  ILE   6          HG23      ILE   6   3.935   3.514  -2.496
  364   HD11  ILE   6          HD11      ILE   6   8.179   3.673  -1.975
  365   HD12  ILE   6          HD12      ILE   6   8.644   5.352  -1.838
  366   HD13  ILE   6          HD13      ILE   6   7.507   4.862  -3.067
  367    H    SER   7           HN       SER   7   4.706   2.316   1.705
  368    HA   SER   7           HA       SER   7   7.078   3.373   3.026
  369    HB2  SER   7           HB2      SER   7   5.880   3.039   5.245
  370    HB3  SER   7           HB1      SER   7   5.386   4.454   4.299
  371    HG   SER   7           HG       SER   7   3.762   2.882   3.412
  372    H    DTH   8           HN       DTC   8   7.220   1.945   5.226
  373    HA   DTH   8           HA       DTC   8   6.646  -0.901   4.593
  374    HB   DTH   8           HB       DTC   8   6.914  -1.379   7.024
  375   HG21  DTH   8          HG21      DTC   8   4.675  -0.854   6.145
  376   HG22  DTH   8          HG22      DTC   8   4.938   0.866   6.443
  377   HG23  DTH   8          HG23      DTC   8   4.861  -0.265   7.795
  378    H    ALA   9           HN       ALA   9   8.801   1.647   5.601
  379    HA   ALA   9           HA       ALA   9  11.195   0.020   5.304
  380    HB1  ALA   9           HB1      ALA   9  10.094   2.451   4.304
  381    HB2  ALA   9           HB2      ALA   9  11.555   1.614   3.784
  382    HB3  ALA   9           HB3      ALA   9  11.613   2.744   5.136
  383    H    LEU  10           HN       LEU  10  10.507   3.217   6.926
  384    HA   LEU  10           HA       LEU  10  12.100   2.626   9.221
  385    HB2  LEU  10           HB2      LEU  10   9.723   4.508   9.099
  386    HB3  LEU  10           HB1      LEU  10  10.949   4.483  10.346
  387    HG   LEU  10           HG       LEU  10  12.523   5.485   9.020
  388   HD11  LEU  10          HD11      LEU  10  12.676   5.375   6.737
  389   HD12  LEU  10          HD12      LEU  10  10.952   5.096   6.508
  390   HD13  LEU  10          HD13      LEU  10  11.982   3.810   7.141
  391   HD21  LEU  10          HD21      LEU  10   9.951   6.620   8.022
  392   HD22  LEU  10          HD22      LEU  10  11.483   7.459   8.131
  393   HD23  LEU  10          HD23      LEU  10  10.634   6.961   9.594
  394    H    ILE  11           HN       ILE  11   8.818   2.241   8.397
  395    HA   ILE  11           HA       ILE  11   8.405   0.495  10.726
  396    HB   ILE  11           HB       ILE  11   6.146   2.359  10.033
  397   HG12  ILE  11          HG12      ILE  11   8.088   2.990  12.257
  398   HG13  ILE  11          HG11      ILE  11   8.287   3.680  10.649
  399   HG21  ILE  11          HG21      ILE  11   6.931   0.921  12.568
  400   HG22  ILE  11          HG22      ILE  11   5.695   0.400  11.423
  401   HG23  ILE  11          HG23      ILE  11   5.477   1.891  12.338
  402   HD11  ILE  11          HD11      ILE  11   5.885   4.026  12.439
  403   HD12  ILE  11          HD12      ILE  11   6.079   4.719  10.830
  404   HD13  ILE  11          HD13      ILE  11   7.145   5.224  12.140
  405    H1   ALA   1           HN       ALA   1  -7.229 -13.359   7.304
  406    HA   ALA   1           HA       ALA   1  -6.390 -15.568   8.781
  407    HB1  ALA   1           HB1      ALA   1  -6.068 -13.888  10.590
  408    HB2  ALA   1           HB2      ALA   1  -7.247 -15.146  11.014
  409    HB3  ALA   1           HB3      ALA   1  -7.798 -13.530  10.537
  410    H    DGL   2           HN       DGL   2  -8.984 -15.393  10.519
  411    HA   DGL   2           HA       DGL   2 -11.175 -15.528  10.153
  412    HB2  DGL   2           HB1      DGL   2 -11.454 -17.163   7.806
  413    HB3  DGL   2           HB2      DGL   2 -11.411 -17.718   9.454
  414    HG2  DGL   2           HG1      DGL   2  -9.415 -18.862   9.040
  415    HG3  DGL   2           HG2      DGL   2  -8.613 -17.378   8.569
  416    H    LYS   3           HN       LYS   3  -9.911 -16.748   6.227
  417    HA   LYS   3           HA       LYS   3  -9.902 -17.037   4.075
  418    HB2  LYS   3           HB2      LYS   3  -7.554 -17.713   4.751
  419    HB3  LYS   3           HB1      LYS   3  -8.007 -19.340   4.211
  420    HG2  LYS   3           HG2      LYS   3  -8.902 -17.214   2.398
  421    HG3  LYS   3           HG1      LYS   3  -7.156 -17.243   2.601
  422    HD2  LYS   3           HD2      LYS   3  -6.926 -18.938   1.130
  423    HD3  LYS   3           HD1      LYS   3  -7.923 -19.868   2.183
  424    HE2  LYS   3           HE2      LYS   3  -8.906 -18.373  -0.216
  425    HE3  LYS   3           HE1      LYS   3  -8.846 -20.240   0.196
  426    HZ1  LYS   3           HZ1      LYS   3 -11.080 -19.956   0.017
  427    HZ2  LYS   3           HZ2      LYS   3 -10.978 -18.362   0.591
  428    HZ3  LYS   3           HZ3      LYS   3 -10.747 -19.655   1.644
  429    H    DAL   4           HN       DAL   4 -11.902 -17.869   5.417
  430    HA   DAL   4           HA       DAL   4 -14.321 -18.602   5.034
  431    HB1  DAL   4           HB1      DAL   4 -13.325 -21.325   5.094
  432    HB2  DAL   4           HB2      DAL   4 -15.000 -20.767   5.242
  433    HB3  DAL   4           HB3      DAL   4 -13.802 -20.418   6.550
  434    H    DAL   5           HN       DAL   5 -14.085 -16.924   3.254
  435    HA   DAL   5           HA       DAL   5 -14.474 -16.075   0.866
  436    HB1  DAL   5           HB1      DAL   5 -15.336 -18.935   0.942
  437    HB2  DAL   5           HB2      DAL   5 -15.831 -17.776  -0.300
  438    HB3  DAL   5           HB3      DAL   5 -16.424 -17.673   1.351
  439    H1   ALA   1           HN       ALA   1  16.179  -5.841  -9.086
  440    HA   ALA   1           HA       ALA   1  17.449  -7.288 -11.104
  441    HB1  ALA   1           HB1      ALA   1  16.259  -9.218 -10.050
  442    HB2  ALA   1           HB2      ALA   1  15.834  -8.967 -11.755
  443    HB3  ALA   1           HB3      ALA   1  14.722  -8.457 -10.474
  444    H    DGL   2           HN       DGL   2  15.065  -7.701 -12.830
  445    HA   DGL   2           HA       DGL   2  13.411  -6.464 -13.746
  446    HB2  DGL   2           HB1      DGL   2  14.275  -4.246 -14.842
  447    HB3  DGL   2           HB2      DGL   2  15.263  -5.650 -15.127
  448    HG2  DGL   2           HG1      DGL   2  17.124  -4.673 -14.088
  449    HG3  DGL   2           HG2      DGL   2  16.201  -4.153 -12.694
  450    H    LYS   3           HN       LYS   3  14.590  -2.258 -13.451
  451    HA   LYS   3           HA       LYS   3  14.338  -0.153 -13.924
  452    HB2  LYS   3           HB2      LYS   3  17.116  -0.427 -13.316
  453    HB3  LYS   3           HB1      LYS   3  16.819   1.008 -14.309
  454    HG2  LYS   3           HG2      LYS   3  15.247   0.251 -11.835
  455    HG3  LYS   3           HG1      LYS   3  16.570   1.409 -11.856
  456    HD2  LYS   3           HD2      LYS   3  14.573   2.749 -11.842
  457    HD3  LYS   3           HD1      LYS   3  15.339   2.801 -13.385
  458    HE2  LYS   3           HE1      LYS   3  13.241   2.821 -14.143
  459    HE3  LYS   3           HE2      LYS   3  13.678   0.948 -14.003
  460    HZ1  LYS   3           HZ1      LYS   3  12.064   0.848 -12.172
  461    HZ2  LYS   3           HZ2      LYS   3  11.398   1.056 -13.752
  462    HZ3  LYS   3           HZ3      LYS   3  11.558   2.363 -12.713
  463    H    DAL   4           HN       DAL   4  14.436  -2.199 -15.852
  464    HA   DAL   4           HA       DAL   4  14.115  -2.684 -18.423
  465    HB1  DAL   4           HB1      DAL   4  14.777   0.033 -19.152
  466    HB2  DAL   4           HB2      DAL   4  14.378  -1.334 -20.209
  467    HB3  DAL   4           HB3      DAL   4  15.920  -1.329 -19.262
  468    H    DAL   5           HN       DAL   5  12.643  -2.341 -15.758
  469    HA   DAL   5           HA       DAL   5  10.259  -2.512 -14.851
  470    HB1  DAL   5           HB1      DAL   5  10.006  -2.422 -17.836
  471    HB2  DAL   5           HB2      DAL   5   8.690  -2.890 -16.748
  472    HB3  DAL   5           HB3      DAL   5  10.099  -3.913 -16.992
  473    H1   ALA   1           HN       ALA   1 -17.238   0.704  -2.299
  474    HA   ALA   1           HA       ALA   1 -18.315  -1.657  -1.276
  475    HB1  ALA   1           HB1      ALA   1 -20.057  -0.852   0.219
  476    HB2  ALA   1           HB2      ALA   1 -19.437   0.808   0.101
  477    HB3  ALA   1           HB3      ALA   1 -18.464  -0.457   0.869
  478    H    DGL   2           HN       DGL   2 -19.136   1.725  -2.259
  479    HA   DGL   2           HA       DGL   2 -20.235   0.584  -4.459
  480    HB2  DGL   2           HB1      DGL   2 -21.809   3.005  -4.216
  481    HB3  DGL   2           HB2      DGL   2 -20.227   2.941  -4.937
  482    HG2  DGL   2           HG1      DGL   2 -20.060   4.723  -3.247
  483    HG3  DGL   2           HG2      DGL   2 -19.234   3.372  -2.501
  484    H    LYS   3           HN       LYS   3 -21.096   1.869  -1.389
  485    HA   LYS   3           HA       LYS   3 -22.355   1.556   0.353
  486    HB2  LYS   3           HB2      LYS   3 -20.662   3.161   1.246
  487    HB3  LYS   3           HB1      LYS   3 -21.952   4.375   1.283
  488    HG2  LYS   3           HG2      LYS   3 -23.009   1.922   2.293
  489    HG3  LYS   3           HG1      LYS   3 -21.464   2.195   3.085
  490    HD2  LYS   3           HD2      LYS   3 -22.968   3.208   4.600
  491    HD3  LYS   3           HD1      LYS   3 -22.250   4.460   3.659
  492    HE2  LYS   3           HE1      LYS   3 -24.677   4.796   4.247
  493    HE3  LYS   3           HE2      LYS   3 -24.046   4.986   2.439
  494    HZ1  LYS   3           HZ1      LYS   3 -26.525   4.160   3.035
  495    HZ2  LYS   3           HZ2      LYS   3 -25.643   2.748   2.950
  496    HZ3  LYS   3           HZ3      LYS   3 -25.576   3.876   1.670
  497    H    DAL   4           HN       DAL   4 -23.674   1.260  -1.408
  498    HA   DAL   4           HA       DAL   4 -26.037   0.721  -2.215
  499    HB1  DAL   4           HB1      DAL   4 -26.378   3.557  -2.708
  500    HB2  DAL   4           HB2      DAL   4 -27.377   2.214  -3.291
  501    HB3  DAL   4           HB3      DAL   4 -25.685   2.427  -3.897
  502    H    DAL   5           HN       DAL   5 -26.019  -0.472  -0.080
  503    HA   DAL   5           HA       DAL   5 -27.035  -1.193   2.160
  504    HB1  DAL   5           HB1      DAL   5 -28.928   0.722   0.846
  505    HB2  DAL   5           HB2      DAL   5 -29.390  -0.406   2.129
  506    HB3  DAL   5           HB3      DAL   5 -28.990  -0.960   0.509
  507    H1   ALA   1           HN       ALA   1  12.132  12.269   4.247
  508    HA   ALA   1           HA       ALA   1  13.996  14.038   5.339
  509    HB1  ALA   1           HB1      ALA   1  13.764  12.620   7.368
  510    HB2  ALA   1           HB2      ALA   1  15.413  12.604   6.710
  511    HB3  ALA   1           HB3      ALA   1  14.334  11.227   6.441
  512    H    DGL   2           HN       DGL   2  16.341  12.228   5.212
  513    HA   DGL   2           HA       DGL   2  17.336  10.866   3.707
  514    HB2  DGL   2           HB1      DGL   2  17.581  12.048   1.329
  515    HB3  DGL   2           HB2      DGL   2  18.115  12.922   2.734
  516    HG2  DGL   2           HG1      DGL   2  16.521  14.631   2.426
  517    HG3  DGL   2           HG2      DGL   2  15.230  13.514   2.031
  518    H    LYS   3           HN       LYS   3  16.277  12.289  -0.231
  519    HA   LYS   3           HA       LYS   3  16.457  12.408  -2.393
  520    HB2  LYS   3           HB2      LYS   3  14.526  14.229  -1.647
  521    HB3  LYS   3           HB1      LYS   3  15.385  15.001  -2.991
  522    HG2  LYS   3           HG2      LYS   3  14.466  12.119  -3.020
  523    HG3  LYS   3           HG1      LYS   3  13.486  13.443  -3.632
  524    HD2  LYS   3           HD2      LYS   3  14.407  12.714  -5.643
  525    HD3  LYS   3           HD1      LYS   3  15.456  13.976  -5.113
  526    HE2  LYS   3           HE1      LYS   3  16.911  12.458  -6.063
  527    HE3  LYS   3           HE2      LYS   3  16.961  12.309  -4.141
  528    HZ1  LYS   3           HZ1      LYS   3  15.918  10.068  -4.539
  529    HZ2  LYS   3           HZ2      LYS   3  17.617  10.259  -4.780
  530    HZ3  LYS   3           HZ3      LYS   3  16.561  10.276  -6.084
  531    H    DAL   4           HN       DAL   4  18.573  12.781  -1.011
  532    HA   DAL   4           HA       DAL   4  21.100  13.155  -1.064
  533    HB1  DAL   4           HB1      DAL   4  20.795  15.647  -2.520
  534    HB2  DAL   4           HB2      DAL   4  22.268  14.969  -1.805
  535    HB3  DAL   4           HB3      DAL   4  20.921  15.549  -0.746
  536    H    DAL   5           HN       DAL   5  21.054  10.937  -1.840
  537    HA   DAL   5           HA       DAL   5  21.554   8.985  -3.406
  538    HB1  DAL   5           HB1      DAL   5  22.385  11.497  -4.812
  539    HB2  DAL   5           HB2      DAL   5  22.895   9.880  -5.317
  540    HB3  DAL   5           HB3      DAL   5  23.481  10.615  -3.831
  541    H12  P1W 103           H12      TPL  10  -8.485  -4.369   4.881
  542    H11  P1W 103           H11      TPL  10  -9.439  -5.388   5.943
  543    H2   P1W 103           H2       TPL  10  -7.772  -7.179   4.557
  544    H43  P1W 103           H42      TPL  10  -8.023  -7.605   1.723
  545    H42  P1W 103           H41      TPL  10  -8.956  -8.504   2.924
  546    H51  P1W 103           H51      TPL  10 -10.894  -5.511   2.365
  547    H52  P1W 103           H52      TPL  10  -9.441  -5.085   1.462
  548    H53  P1W 103           H53      TPL  10  -9.736  -4.349   3.036
  549    H12  P1W 104           H12      TPL  11 -10.990  -8.075   1.859
  550    H11  P1W 104           H11      TPL  11 -10.322  -6.748   0.908
  551    H2   P1W 104           H2       TPL  11  -8.874  -9.214   0.291
  552    H43  P1W 104           H42      TPL  11 -11.303 -10.264  -2.420
  553    H42  P1W 104           H41      TPL  11  -9.643  -9.674  -2.478
  554    H51  P1W 104           H51      TPL  11 -12.531  -8.632  -1.725
  555    H52  P1W 104           H52      TPL  11 -12.235  -7.685  -0.267
  556    H53  P1W 104           H53      TPL  11 -12.769  -9.361  -0.138
  557    H12  P1W 105           H12      TPL  11   7.951  -0.992  -2.372
  558    H11  P1W 105           H11      TPL  11   9.344  -1.142  -3.442
  559    H2   P1W 105           H2       TPL  11   6.492  -0.471  -4.267
  560    H43  P1W 105           H42      TPL  11   7.904   1.023  -7.233
  561    H42  P1W 105           H41      TPL  11   6.398   0.723  -6.359
  562    H51  P1W 105           H51      TPL  11   9.909   1.230  -6.052
  563    H52  P1W 105           H52      TPL  11  10.179  -0.387  -5.403
  564    H53  P1W 105           H53      TPL  11   9.968   0.980  -4.308
  565    H12  P1W 106           H12      TPL  12  -9.022 -11.294  -0.726
  566    H11  P1W 106           H11      TPL  12 -10.680 -11.892  -0.690
  567    H2   P1W 106           H2       TPL  12  -8.607 -12.272  -2.844
  568    H43  P1W 106           H43      TPL  12  -9.103 -14.829  -3.802
  569    H41  P1W 106           H41      TPL  12  -9.839 -13.686  -4.931
  570    H42  P1W 106           H42      TPL  12 -10.805 -14.988  -4.238
  571    H51  P1W 106           H51      TPL  12 -12.270 -12.781  -2.034
  572    H52  P1W 106           H52      TPL  12 -11.599 -14.259  -1.347
  573    H53  P1W 106           H53      TPL  12 -12.338 -14.291  -2.948
  574    H12  P1W 107           H12      TPL  12   6.572   2.711  -5.135
  575    H11  P1W 107           H11      TPL  12   8.300   2.863  -5.439
  576    H2   P1W 107           H2       TPL  12   7.823   3.429  -7.823
  577    H43  P1W 107           H43      TPL  12   6.682   5.301  -8.937
  578    H41  P1W 107           H41      TPL  12   5.308   6.060  -8.122
  579    H42  P1W 107           H42      TPL  12   5.066   4.617  -9.107
  580    H51  P1W 107           H51      TPL  12   5.195   4.981  -5.355
  581    H52  P1W 107           H52      TPL  12   4.695   3.338  -5.752
  582    H53  P1W 107           H53      TPL  12   3.974   4.704  -6.601
  583    H12  P1W 103           H12      TPL  10  11.232  -5.441  -3.961
  584    H11  P1W 103           H11      TPL  10  12.134  -4.157  -3.159
  585    H2   P1W 103           H2       TPL  10   9.580  -4.087  -1.952
  586    H43  P1W 103           H42      TPL  10   7.220  -2.911  -4.262
  587    H42  P1W 103           H41      TPL  10   7.604  -3.167  -2.564
  588    H51  P1W 103           H51      TPL  10  10.444  -3.728  -5.663
  589    H52  P1W 103           H52      TPL  10   8.766  -3.280  -5.975
  590    H53  P1W 103           H53      TPL  10   9.167  -4.947  -5.568
  591    H12  P1W 103           H12      TPL  10 -11.027  10.439  -2.974
  592    H11  P1W 103           H11      TPL  10 -12.730  10.872  -2.777
  593    H2   P1W 103           H2       TPL  10 -12.329   8.976  -4.983
  594    H43  P1W 103           H42      TPL  10 -11.793  10.001  -7.317
  595    H42  P1W 103           H41      TPL  10 -13.539  10.219  -7.279
  596    H51  P1W 103           H51      TPL  10 -12.964  12.487  -4.116
  597    H52  P1W 103           H52      TPL  10 -13.709  12.758  -5.692
  598    H53  P1W 103           H53      TPL  10 -11.981  13.054  -5.471
  599    H12  P1W 103           H12      TPL  10   9.707   4.082   5.490
  600    H11  P1W 103           H11      TPL  10   9.694   5.827   5.195
  601    H2   P1W 103           H2       TPL  10   8.342   4.552   2.987
  602    H43  P1W 103           H42      TPL  10   9.542   3.452   1.113
  603    H42  P1W 103           H41      TPL  10   9.795   5.148   0.711
  604    H51  P1W 103           H51      TPL  10  12.232   5.784   2.531
  605    H52  P1W 103           H52      TPL  10  12.489   4.087   2.928
  606    H53  P1W 103           H53      TPL  10  11.884   5.192   4.162
  607    H12  P1W 104           H12      TPL  11 -12.727  11.682  -8.953
  608    H11  P1W 104           H11      TPL  11 -13.131  12.695  -7.569
  609    H2   P1W 104           H2       TPL  11 -10.908  13.315  -7.254
  610    H43  P1W 104           H42      TPL  11  -8.191  12.265  -7.784
  611    H42  P1W 104           H41      TPL  11  -8.142  12.441  -9.540
  612    H51  P1W 104           H51      TPL  11 -10.883  10.300  -9.555
  613    H52  P1W 104           H52      TPL  11  -9.295  10.727 -10.194
  614    H53  P1W 104           H53      TPL  11 -10.731  11.601 -10.735
  615    H12  P1W 105           H12      TPL  11  12.288   4.642   0.843
  616    H11  P1W 105           H11      TPL  11  11.828   2.943   0.799
  617    H2   P1W 105           H2       TPL  11  10.384   4.211  -1.319
  618    H43  P1W 105           H42      TPL  11  13.030   3.688  -3.801
  619    H42  P1W 105           H41      TPL  11  11.282   3.799  -3.578
  620    H51  P1W 105           H51      TPL  11  13.966   3.657  -0.425
  621    H52  P1W 105           H52      TPL  11  14.178   5.214  -1.226
  622    H53  P1W 105           H53      TPL  11  14.500   3.718  -2.103
  623    H12  P1W 106           H12      TPL  12  -8.679  14.665  -9.478
  624    H11  P1W 106           H11      TPL  12  -9.691  14.487  -8.048
  625    H2   P1W 106           H2       TPL  12  -7.138  13.970  -7.048
  626    H43  P1W 106           H43      TPL  12  -5.908  15.696  -5.859
  627    H41  P1W 106           H41      TPL  12  -6.520  17.353  -5.951
  628    H42  P1W 106           H42      TPL  12  -5.348  16.775  -7.135
  629    H51  P1W 106           H51      TPL  12  -7.632  18.103  -7.861
  630    H52  P1W 106           H52      TPL  12  -9.122  17.172  -7.716
  631    H53  P1W 106           H53      TPL  12  -8.129  17.023  -9.167
  632    H12  P1W 107           H12      TPL  12  11.611   6.269  -3.124
  633    H11  P1W 107           H11      TPL  12  13.276   6.067  -3.658
  634    H2   P1W 107           H2       TPL  12  11.934   4.944  -5.780
  635    H43  P1W 107           H43      TPL  12  11.636   7.683  -7.754
  636    H41  P1W 107           H41      TPL  12   9.941   7.479  -7.291
  637    H42  P1W 107           H42      TPL  12  10.935   6.068  -7.653
  638    H51  P1W 107           H51      TPL  12  12.108   8.673  -4.708
  639    H52  P1W 107           H52      TPL  12  10.598   8.039  -4.059
  640    H53  P1W 107           H53      TPL  12  10.589   8.963  -5.560
  641    H1   MUB 101           H1       NAM   6  -7.967  -8.902   8.880
  642    H2   MUB 101           H2       NAM   6  -5.980  -9.547   8.107
  643    HN2  MUB 101           HN2      NAM   6  -5.118  -7.941   6.689
  644    H81  MUB 101           H81      NAM   6  -5.502  -6.617   4.486
  645    H82  MUB 101           H82      NAM   6  -5.659  -7.755   3.154
  646    H83  MUB 101           H83      NAM   6  -4.285  -7.903   4.240
  647    H3   MUB 101           H3       NAM   6  -7.440 -10.334   5.452
  648    H9   MUB 101           H9       NAM   6  -5.922 -11.282   8.000
  649   H111  MUB 101          H111      NAM   6  -3.229 -10.964   6.594
  650   H112  MUB 101          H112      NAM   6  -3.351 -11.243   8.306
  651   H113  MUB 101          H113      NAM   6  -4.149  -9.838   7.698
  652    H4A  MUB 101           H4       NAM   6  -7.864 -11.809   8.151
  653    H5   MUB 101           H5       NAM   6 -10.231 -10.657   6.705
  654    H61  MUB 101           H61      NAM   6 -11.120 -10.166   8.581
  655    H62  MUB 101           H62      NAM   6  -9.681  -9.681   9.513
  656    HO6  MUB 101           HO6      NAM   6 -10.662 -12.368   8.671
  657    H1   NAG 102           H1       NAG   7  -7.882 -12.063   4.797
  658    H2   NAG 102           H2       NAG   7  -9.870 -14.443   5.190
  659    H3   NAG 102           H3       NAG   7  -8.561 -13.528   2.545
  660    H4   NAG 102           H4       NAG   7 -11.480 -13.229   3.164
  661    H5   NAG 102           H5       NAG   7  -9.230 -10.960   3.119
  662    H61  NAG 102           H61      NAG   7 -12.174 -10.664   3.587
  663    H62  NAG 102           H62      NAG   7 -11.202 -10.053   2.276
  664    H81  NAG 102           H81      NAG   7  -4.713 -15.052   4.274
  665    H82  NAG 102           H82      NAG   7  -5.837 -16.402   4.258
  666    H83  NAG 102           H83      NAG   7  -5.561 -15.541   5.770
  667    HN2  NAG 102           HN2      NAG   7  -8.086 -15.431   5.554
  668    HO3  NAG 102           HO3      NAG   7 -10.662 -15.286   3.279
  669    HO4  NAG 102           HO4      NAG   7 -10.706 -13.373   1.045
  670    HO6  NAG 102           HO6      NAG   7 -10.421  -9.525   4.932
  671    H1   MUB 101           H1       NAM   6  12.909  -7.626  -6.176
  672    H2   MUB 101           H2       NAM   6  14.996  -7.512  -5.364
  673    HN2  MUB 101           HN2      NAM   6  15.149  -6.575  -3.298
  674    H81  MUB 101           H81      NAM   6  14.660  -3.672  -2.120
  675    H82  MUB 101           H82      NAM   6  16.312  -3.381  -2.654
  676    H83  MUB 101           H83      NAM   6  15.905  -4.946  -1.961
  677    H3   MUB 101           H3       NAM   6  14.981  -4.470  -6.153
  678    H9   MUB 101           H9       NAM   6  15.967  -7.295  -6.942
  679   H111  MUB 101          H111      NAM   6  18.460  -7.168  -5.187
  680   H112  MUB 101          H112      NAM   6  17.986  -8.629  -6.003
  681   H113  MUB 101          H113      NAM   6  16.831  -7.945  -4.917
  682    H4A  MUB 101           H4       NAM   6  14.773  -6.581  -8.365
  683    H5   MUB 101           H5       NAM   6  12.495  -4.671  -8.094
  684    H61  MUB 101           H61      NAM   6  11.080  -6.403  -8.412
  685    H62  MUB 101           H62      NAM   6  12.158  -7.688  -7.800
  686    HO6  MUB 101           HO6      NAM   6  12.696  -5.987 -10.165
  687    H1   NAG 102           H1       NAG   7  15.682  -3.562  -7.367
  688    H2   NAG 102           H2       NAG   7  15.450  -2.521 -10.297
  689    H3   NAG 102           H3       NAG   7  16.645  -1.121  -7.819
  690    H4   NAG 102           H4       NAG   7  14.110  -0.290  -9.185
  691    H5   NAG 102           H5       NAG   7  14.390  -1.759  -6.360
  692    H61  NAG 102           H61      NAG   7  11.850  -1.048  -7.803
  693    H62  NAG 102           H62      NAG   7  12.588  -0.167  -6.467
  694    H81  NAG 102           H81      NAG   7  20.012  -4.010  -8.144
  695    H82  NAG 102           H82      NAG   7  19.880  -3.290  -9.742
  696    H83  NAG 102           H83      NAG   7  19.192  -4.887  -9.468
  697    HN2  NAG 102           HN2      NAG   7  17.250  -3.509 -10.448
  698    HO3  NAG 102           HO3      NAG   7  17.378  -0.592  -9.887
  699    HO4  NAG 102           HO4      NAG   7  15.433   1.137  -7.984
  700    HO6  NAG 102           HO6      NAG   7  12.061  -2.961  -6.460
  701    H1   MUB 101           H1       NAM   6 -14.974   5.279  -0.653
  702    H2   MUB 101           H2       NAM   6 -13.595   3.473  -0.809
  703    HN2  MUB 101           HN2      NAM   6 -11.784   3.738  -2.144
  704    H81  MUB 101           H81      NAM   6 -10.956   4.306  -4.616
  705    H82  MUB 101           H82      NAM   6 -11.611   3.076  -5.686
  706    H83  MUB 101           H83      NAM   6 -10.804   2.572  -4.207
  707    H3   MUB 101           H3       NAM   6 -14.843   2.876  -3.571
  708    H9   MUB 101           H9       NAM   6 -15.918   1.910  -0.817
  709   H111  MUB 101          H111      NAM   6 -13.054   1.434  -0.084
  710   H112  MUB 101          H112      NAM   6 -14.255   0.961   1.081
  711   H113  MUB 101          H113      NAM   6 -14.296   2.606   0.565
  712    H4A  MUB 101           H4       NAM   6 -16.800   3.109  -1.154
  713    H5   MUB 101           H5       NAM   6 -17.170   5.005  -3.451
  714    H61  MUB 101           H61      NAM   6 -18.143   6.267  -2.016
  715    H62  MUB 101           H62      NAM   6 -16.760   6.341  -0.846
  716    HO6  MUB 101           HO6      NAM   6 -19.115   5.038  -0.575
  717    H1   NAG 102           H1       NAG   7 -16.158   2.309  -4.403
  718    H2   NAG 102           H2       NAG   7 -19.077   1.374  -4.492
  719    H3   NAG 102           H3       NAG   7 -17.125   1.054  -6.854
  720    H4   NAG 102           H4       NAG   7 -19.379   3.029  -6.891
  721    H5   NAG 102           H5       NAG   7 -16.268   3.610  -6.410
  722    H61  NAG 102           H61      NAG   7 -18.431   5.682  -6.479
  723    H62  NAG 102           H62      NAG   7 -17.364   5.248  -7.818
  724    H81  NAG 102           H81      NAG   7 -14.944  -1.912  -4.388
  725    H82  NAG 102           H82      NAG   7 -16.621  -2.437  -4.428
  726    H83  NAG 102           H83      NAG   7 -16.015  -1.630  -2.985
  727    HN2  NAG 102           HN2      NAG   7 -18.171  -0.354  -3.783
  728    HO3  NAG 102           HO3      NAG   7 -19.020  -0.251  -6.491
  729    HO4  NAG 102           HO4      NAG   7 -18.546   2.237  -8.771
  730    HO6  NAG 102           HO6      NAG   7 -16.272   6.737  -6.825
  731    H1   MUB 101           H1       NAM   6  10.153   8.023   6.681
  732    H2   MUB 101           H2       NAM   6   9.402  10.105   6.765
  733    HN2  MUB 101           HN2      NAM   6   7.188  10.242   6.462
  734    H81  MUB 101           H81      NAM   6   5.411  11.076   4.804
  735    H82  MUB 101           H82      NAM   6   5.117   9.353   4.998
  736    H83  MUB 101           H83      NAM   6   5.329  10.000   3.377
  737    H3   MUB 101           H3       NAM   6   9.389  10.121   3.618
  738    H9   MUB 101           H9       NAM   6  10.426  11.495   6.193
  739   H111  MUB 101          H111      NAM   6   8.131  13.502   6.263
  740   H112  MUB 101          H112      NAM   6   9.281  13.391   7.562
  741   H113  MUB 101          H113      NAM   6   8.409  11.949   7.181
  742    H4A  MUB 101           H4       NAM   6  11.958  10.633   5.279
  743    H5   MUB 101           H5       NAM   6  12.052   8.196   3.669
  744    H61  MUB 101           H61      NAM   6  13.438   8.263   5.409
  745    H62  MUB 101           H62      NAM   6  12.342   6.936   5.920
  746    HO6  MUB 101           HO6      NAM   6  13.007   9.114   7.293
  747    H1   NAG 102           H1       NAG   7  10.326  11.080   2.385
  748    H2   NAG 102           H2       NAG   7  13.088  11.000   0.956
  749    H3   NAG 102           H3       NAG   7  10.376  11.580  -0.366
  750    H4   NAG 102           H4       NAG   7  11.911   9.043  -0.820
  751    H5   NAG 102           H5       NAG   7   9.267   9.445   0.932
  752    H61  NAG 102           H61      NAG   7  10.779   6.866   0.758
  753    H62  NAG 102           H62      NAG   7   9.528   7.329  -0.384
  754    H81  NAG 102           H81      NAG   7  11.860  15.365   0.993
  755    H82  NAG 102           H82      NAG   7  11.950  14.973   2.704
  756    H83  NAG 102           H83      NAG   7  10.386  15.383   2.005
  757    HN2  NAG 102           HN2      NAG   7  13.055  12.971   1.515
  758    HO3  NAG 102           HO3      NAG   7  13.022  10.999  -1.202
  759    HO4  NAG 102           HO4      NAG   7  10.440   9.915  -2.319
  760    HO6  NAG 102           HO6      NAG   7   9.292   7.482   2.463
  Start of MODEL   23
    1    H    ZAE   1           HN1      DPH   1   7.781 -17.097  -3.430
    2    HA   ZAE   1           HA       DPH   1   7.941 -15.201  -4.883
    3    HB2  ZAE   1           HB1      DPH   1   9.656 -14.406  -2.566
    4    HB3  ZAE   1           HB2      DPH   1   9.894 -15.992  -3.293
    5    HD1  ZAE   1           HD1      DPH   1   9.247 -15.210  -6.154
    6    HD2  ZAE   1           HD2      DPH   1  11.693 -13.374  -3.190
    7    HE1  ZAE   1           HE1      DPH   1  10.637 -14.208  -7.921
    8    HE2  ZAE   1           HE2      DPH   1  13.081 -12.373  -4.953
    9    HZ   ZAE   1           HZ       DPH   1  12.557 -12.789  -7.322
   10    H11  ZAE   1          HN11      DPH   1   6.994 -15.208  -1.314
   11    H12  ZAE   1          HN12      DPH   1   8.524 -16.083  -1.385
   12    H13  ZAE   1          HN13      DPH   1   7.009 -16.970  -1.200
   13    HN2  ZAE   1           HN2      DPH   1   6.341 -16.208  -3.403
   14    H    ILE   2           HN       ILE   2   5.816 -14.149  -4.620
   15    HA   ILE   2           HA       ILE   2   6.184 -11.533  -3.354
   16    HB   ILE   2           HB       ILE   2   5.518 -12.048  -5.934
   17   HG12  ILE   2          HG12      ILE   2   4.462  -9.703  -4.334
   18   HG13  ILE   2          HG11      ILE   2   6.078  -9.840  -5.019
   19   HG21  ILE   2          HG21      ILE   2   3.110 -11.618  -6.263
   20   HG22  ILE   2          HG22      ILE   2   2.872 -11.745  -4.520
   21   HG23  ILE   2          HG23      ILE   2   3.425 -13.144  -5.437
   22   HD11  ILE   2          HD11      ILE   2   4.729  -8.437  -6.414
   23   HD12  ILE   2          HD12      ILE   2   3.502  -9.692  -6.570
   24   HD13  ILE   2          HD13      ILE   2   5.102  -9.933  -7.268
   25    H    SER   3           HN       SER   3   4.776 -10.805  -1.842
   26    HA   SER   3           HA       SER   3   2.279 -12.191  -1.320
   27    HB2  SER   3           HB2      SER   3   4.339 -11.882   0.854
   28    HB3  SER   3           HB1      SER   3   2.703 -12.514   1.044
   29    HG   SER   3           HG       SER   3   3.929 -13.852  -0.902
   30    H    DAR   4           HN       DAR   4   1.255 -11.141   0.712
   31    HA   DAR   4           HA       DAR   4   1.496  -8.234   0.364
   32    HB2  DAR   4           HB1      DAR   4   0.640  -9.725   2.841
   33    HB3  DAR   4           HB2      DAR   4   0.840  -7.982   2.678
   34    HG2  DAR   4           HG1      DAR   4   3.186  -8.190   2.438
   35    HG3  DAR   4           HG2      DAR   4   3.075  -9.950   2.284
   36    HD2  DAR   4           HD1      DAR   4   2.233 -10.106   4.550
   37    HD3  DAR   4           HD2      DAR   4   2.265  -8.353   4.705
   38    HE   DAR   4           HE       DAR   4   4.835  -9.152   4.062
   39   HH11  DAR   4          HH21      DAR   4   5.910  -9.730   7.370
   40   HH12  DAR   4          HH22      DAR   4   6.446  -9.430   5.682
   41   HH21  DAR   4          HH11      DAR   4   3.668  -9.809   7.876
   42   HH22  DAR   4          HH12      DAR   4   2.451  -9.545   6.581
   43    HA   28J   5           HA       28J   5  -2.843  -8.394   0.352
   44    H22  28J   5           HB       28J   5  -3.572  -7.872  -2.139
   45    H23  28J   5          HG21      28J   5  -1.428  -7.019  -2.868
   46    H24  28J   5          HG22      28J   5  -1.804  -8.506  -3.741
   47    H25  28J   5          HG23      28J   5  -0.641  -8.529  -2.414
   48    H26  28J   5          HG11      28J   5  -3.634 -10.117  -0.962
   49    H27  28J   5          HG12      28J   5  -1.998 -10.395  -1.549
   50    H28  28J   5          HD11      28J   5  -3.629 -11.524  -2.946
   51    H29  28J   5          HD12      28J   5  -2.788 -10.267  -3.851
   52    H30  28J   5          HD13      28J   5  -4.431  -9.987  -3.275
   53    H    ILE   6           HN       ILE   6  -4.605  -6.956  -0.170
   54    HA   ILE   6           HA       ILE   6  -3.848  -4.141   0.193
   55    HB   ILE   6           HB       ILE   6  -4.228  -4.187  -2.060
   56   HG12  ILE   6          HG12      ILE   6  -6.136  -2.902  -0.508
   57   HG13  ILE   6          HG11      ILE   6  -5.798  -2.597  -2.209
   58   HG21  ILE   6          HG21      ILE   6  -6.053  -5.468  -3.185
   59   HG22  ILE   6          HG22      ILE   6  -6.430  -6.197  -1.621
   60   HG23  ILE   6          HG23      ILE   6  -4.850  -6.456  -2.358
   61   HD11  ILE   6          HD11      ILE   6  -7.514  -4.225  -2.805
   62   HD12  ILE   6          HD12      ILE   6  -8.146  -2.894  -1.834
   63   HD13  ILE   6          HD13      ILE   6  -7.847  -4.469  -1.099
   64    H    SER   7           HN       SER   7  -4.840  -3.256   1.956
   65    HA   SER   7           HA       SER   7  -7.653  -3.778   2.528
   66    HB2  SER   7           HB2      SER   7  -5.591  -4.357   4.676
   67    HB3  SER   7           HB1      SER   7  -7.336  -4.607   4.773
   68    HG   SER   7           HG       SER   7  -6.636  -5.972   2.704
   69    H    DTH   8           HN       DTC   8  -7.935  -2.765   4.990
   70    HA   DTH   8           HA       DTC   8  -6.874  -0.004   4.943
   71    HB   DTH   8           HB       DTC   8  -6.549   0.075   7.386
   72   HG21  DTH   8          HG21      DTC   8  -5.105  -2.324   6.218
   73   HG22  DTH   8          HG22      DTC   8  -4.615  -1.422   7.655
   74   HG23  DTH   8          HG23      DTC   8  -4.608  -0.640   6.075
   75    H    ALA   9           HN       ALA   9  -9.447  -2.045   4.900
   76    HA   ALA   9           HA       ALA   9 -11.362  -0.313   5.670
   77    HB1  ALA   9           HB1      ALA   9 -11.324  -3.216   4.941
   78    HB2  ALA   9           HB2      ALA   9 -11.929  -1.866   3.991
   79    HB3  ALA   9           HB3      ALA   9 -12.826  -2.420   5.403
   80    H    LEU  10           HN       LEU  10 -11.301  -3.425   6.813
   81    HA   LEU  10           HA       LEU  10 -12.094  -3.145   9.430
   82    HB2  LEU  10           HB2      LEU  10 -10.602  -5.312   7.982
   83    HB3  LEU  10           HB1      LEU  10 -10.768  -5.405   9.721
   84    HG   LEU  10           HG       LEU  10 -12.953  -5.976   9.636
   85   HD11  LEU  10          HD11      LEU  10 -13.009  -4.006   7.421
   86   HD12  LEU  10          HD12      LEU  10 -13.959  -4.066   8.907
   87   HD13  LEU  10          HD13      LEU  10 -14.332  -5.159   7.574
   88   HD21  LEU  10          HD21      LEU  10 -13.514  -7.347   7.700
   89   HD22  LEU  10          HD22      LEU  10 -11.839  -7.619   8.172
   90   HD23  LEU  10          HD23      LEU  10 -12.214  -6.611   6.785
   91    H    ILE  11           HN       ILE  11  -8.778  -3.426   8.205
   92    HA   ILE  11           HA       ILE  11  -7.806  -2.470  10.842
   93    HB   ILE  11           HB       ILE  11  -5.791  -3.960  10.690
   94   HG12  ILE  11          HG12      ILE  11  -7.348  -5.607   8.681
   95   HG13  ILE  11          HG11      ILE  11  -6.088  -4.480   8.195
   96   HG21  ILE  11          HG21      ILE  11  -8.446  -5.378  10.853
   97   HG22  ILE  11          HG22      ILE  11  -7.603  -4.563  12.172
   98   HG23  ILE  11          HG23      ILE  11  -6.914  -6.016  11.448
   99   HD11  ILE  11          HD11      ILE  11  -5.252  -6.768   8.299
  100   HD12  ILE  11          HD12      ILE  11  -5.717  -6.872   9.997
  101   HD13  ILE  11          HD13      ILE  11  -4.451  -5.751   9.498
  102    H    ZAE   1           HN1      DPH   1  -8.782   4.888   3.008
  103    HA   ZAE   1           HA       DPH   1  -9.496   3.764   0.939
  104    HB2  ZAE   1           HB1      DPH   1  -9.890   1.797   3.151
  105    HB3  ZAE   1           HB2      DPH   1 -10.423   3.448   3.427
  106    HD1  ZAE   1           HD1      DPH   1 -10.579   1.084   0.575
  107    HD2  ZAE   1           HD2      DPH   1 -12.707   3.657   3.193
  108    HE1  ZAE   1           HE1      DPH   1 -12.644   0.623  -0.667
  109    HE2  ZAE   1           HE2      DPH   1 -14.784   3.198   1.959
  110    HZ   ZAE   1           HZ       DPH   1 -14.753   1.687   0.020
  111    H11  ZAE   1          HN11      DPH   1  -8.292   2.921   4.288
  112    H12  ZAE   1          HN12      DPH   1  -6.941   4.052   4.257
  113    H13  ZAE   1          HN13      DPH   1  -6.897   2.608   3.250
  114    HN2  ZAE   1           HN2      DPH   1  -7.504   4.584   1.934
  115    H    ILE   2           HN       ILE   2  -7.488   3.083  -0.270
  116    HA   ILE   2           HA       ILE   2  -7.162   0.174   0.119
  117    HB   ILE   2           HB       ILE   2  -6.987   1.899  -2.300
  118   HG12  ILE   2          HG12      ILE   2  -8.118  -0.791  -1.564
  119   HG13  ILE   2          HG11      ILE   2  -8.963   0.625  -2.179
  120   HG21  ILE   2          HG21      ILE   2  -5.343  -0.600  -1.921
  121   HG22  ILE   2          HG22      ILE   2  -4.756   1.025  -2.276
  122   HG23  ILE   2          HG23      ILE   2  -5.687   0.142  -3.484
  123   HD11  ILE   2          HD11      ILE   2  -8.056   0.283  -4.369
  124   HD12  ILE   2          HD12      ILE   2  -8.774  -1.229  -3.819
  125   HD13  ILE   2          HD13      ILE   2  -7.023  -1.022  -3.783
  126    H    SER   3           HN       SER   3  -5.504  -0.549   1.040
  127    HA   SER   3           HA       SER   3  -2.896   0.707   0.699
  128    HB2  SER   3           HB2      SER   3  -4.068  -0.092   3.347
  129    HB3  SER   3           HB1      SER   3  -2.385   0.369   3.074
  130    HG   SER   3           HG       SER   3  -4.058   2.218   2.058
  131    H    DAR   4           HN       DAR   4  -1.200  -0.580   1.354
  132    HA   DAR   4           HA       DAR   4  -1.776  -3.433   0.984
  133    HB2  DAR   4           HB1      DAR   4   0.325  -2.305   2.838
  134    HB3  DAR   4           HB2      DAR   4   0.015  -4.007   2.540
  135    HG2  DAR   4           HG1      DAR   4  -2.134  -3.859   3.644
  136    HG3  DAR   4           HG2      DAR   4  -1.953  -2.114   3.811
  137    HD2  DAR   4           HD1      DAR   4   0.001  -2.461   5.261
  138    HD3  DAR   4           HD2      DAR   4  -0.240  -4.203   5.152
  139    HE   DAR   4           HE       DAR   4  -2.625  -3.063   6.059
  140   HH11  DAR   4          HH21      DAR   4  -1.910  -3.245   9.517
  141   HH12  DAR   4          HH22      DAR   4  -3.209  -3.042   8.287
  142   HH21  DAR   4          HH11      DAR   4   0.273  -3.508   8.862
  143   HH22  DAR   4          HH12      DAR   4   0.692  -3.547   7.111
  144    HA   28J   5           HA       28J   5   2.063  -3.033  -1.178
  145    H22  28J   5           HB       28J   5   1.199  -3.895  -3.603
  146    H23  28J   5          HG21      28J   5  -1.122  -3.175  -3.895
  147    H24  28J   5          HG22      28J   5  -1.261  -2.922  -2.157
  148    H25  28J   5          HG23      28J   5  -0.992  -4.546  -2.795
  149    H26  28J   5          HG11      28J   5   2.106  -1.636  -2.875
  150    H27  28J   5          HG12      28J   5   0.449  -1.190  -2.486
  151    H28  28J   5          HD11      28J   5  -0.184  -1.571  -4.830
  152    H29  28J   5          HD12      28J   5   1.499  -1.940  -5.203
  153    H30  28J   5          HD13      28J   5   1.052  -0.326  -4.648
  154    H    ILE   6           HN       ILE   6   3.603  -4.246  -2.187
  155    HA   ILE   6           HA       ILE   6   3.122  -7.157  -2.057
  156    HB   ILE   6           HB       ILE   6   4.408  -7.423  -4.158
  157   HG12  ILE   6          HG12      ILE   6   4.060  -5.075  -5.552
  158   HG13  ILE   6          HG11      ILE   6   4.588  -4.508  -3.972
  159   HG21  ILE   6          HG21      ILE   6   2.574  -6.723  -5.724
  160   HG22  ILE   6          HG22      ILE   6   1.764  -5.987  -4.348
  161   HG23  ILE   6          HG23      ILE   6   2.064  -7.723  -4.362
  162   HD11  ILE   6          HD11      ILE   6   6.018  -6.383  -5.820
  163   HD12  ILE   6          HD12      ILE   6   6.541  -6.017  -4.175
  164   HD13  ILE   6          HD13      ILE   6   6.464  -4.739  -5.390
  165    H    SER   7           HN       SER   7   4.712  -8.448  -1.229
  166    HA   SER   7           HA       SER   7   7.404  -7.495  -0.995
  167    HB2  SER   7           HB2      SER   7   7.353  -7.476   1.526
  168    HB3  SER   7           HB1      SER   7   6.518  -6.131   0.750
  169    HG   SER   7           HG       SER   7   4.696  -7.930   0.998
  170    H    DTH   8           HN       DTC   8   8.731  -8.882   0.366
  171    HA   DTH   8           HA       DTC   8   7.783 -11.668   0.403
  172    HB   DTH   8           HB       DTC   8   9.111 -12.190   2.430
  173   HG21  DTH   8          HG21      DTC   8   6.756 -11.632   2.726
  174   HG22  DTH   8          HG22      DTC   8   7.132  -9.910   2.809
  175   HG23  DTH   8          HG23      DTC   8   7.698 -11.002   4.074
  176    H    ALA   9           HN       ALA   9  10.510  -9.641  -0.380
  177    HA   ALA   9           HA       ALA   9  12.089 -11.918  -1.161
  178    HB1  ALA   9           HB1      ALA   9  12.080 -10.319  -2.825
  179    HB2  ALA   9           HB2      ALA   9  13.592  -9.996  -1.983
  180    HB3  ALA   9           HB3      ALA   9  12.180  -8.986  -1.675
  181    H    LEU  10           HN       LEU  10  12.735  -8.898   0.275
  182    HA   LEU  10           HA       LEU  10  14.994  -9.931   1.783
  183    HB2  LEU  10           HB2      LEU  10  14.701  -7.484   2.839
  184    HB3  LEU  10           HB1      LEU  10  15.532  -7.790   1.329
  185    HG   LEU  10           HG       LEU  10  12.951  -7.414   0.485
  186   HD11  LEU  10          HD11      LEU  10  12.244  -5.317   1.582
  187   HD12  LEU  10          HD12      LEU  10  13.472  -5.602   2.815
  188   HD13  LEU  10          HD13      LEU  10  12.143  -6.743   2.615
  189   HD21  LEU  10          HD21      LEU  10  15.251  -5.499   0.721
  190   HD22  LEU  10          HD22      LEU  10  13.747  -5.078  -0.096
  191   HD23  LEU  10          HD23      LEU  10  14.728  -6.415  -0.691
  192    H    ILE  11           HN       ILE  11  11.655  -9.226   2.313
  193    HA   ILE  11           HA       ILE  11  11.967 -10.023   5.149
  194    HB   ILE  11           HB       ILE  11  10.218  -8.401   5.844
  195   HG12  ILE  11          HG12      ILE  11  10.630  -6.950   3.222
  196   HG13  ILE  11          HG11      ILE  11   9.304  -8.085   3.441
  197   HG21  ILE  11          HG21      ILE  11  12.740  -7.340   4.620
  198   HG22  ILE  11          HG22      ILE  11  12.415  -7.734   6.310
  199   HG23  ILE  11          HG23      ILE  11  11.656  -6.323   5.570
  200   HD11  ILE  11          HD11      ILE  11   8.462  -6.710   5.300
  201   HD12  ILE  11          HD12      ILE  11   8.552  -5.807   3.789
  202   HD13  ILE  11          HD13      ILE  11   9.778  -5.566   5.033
  203    H    ZAE   1           HN1      DPH   1   8.425  -5.441   0.971
  204    HA   ZAE   1           HA       DPH   1   9.194  -3.829  -0.624
  205    HB2  ZAE   1           HB1      DPH   1   9.411  -2.487   2.058
  206    HB3  ZAE   1           HB2      DPH   1  10.151  -4.063   1.792
  207    HD1  ZAE   1           HD1      DPH   1  10.169  -2.385  -1.283
  208    HD2  ZAE   1           HD2      DPH   1  12.105  -2.428   2.510
  209    HE1  ZAE   1           HE1      DPH   1  12.126  -1.249  -2.275
  210    HE2  ZAE   1           HE2      DPH   1  14.062  -1.287   1.536
  211    HZ   ZAE   1           HZ       DPH   1  14.082  -0.696  -0.858
  212    H11  ZAE   1          HN11      DPH   1   6.619  -3.314   1.926
  213    H12  ZAE   1          HN12      DPH   1   8.010  -3.949   2.804
  214    H13  ZAE   1          HN13      DPH   1   6.624  -4.989   2.481
  215    HN2  ZAE   1           HN2      DPH   1   7.125  -4.807   0.084
  216    H    ILE   2           HN       ILE   2   6.605  -3.270  -1.140
  217    HA   ILE   2           HA       ILE   2   6.454  -0.378  -0.630
  218    HB   ILE   2           HB       ILE   2   5.780  -1.909  -3.135
  219   HG12  ILE   2          HG12      ILE   2   7.557   0.447  -2.506
  220   HG13  ILE   2          HG11      ILE   2   8.078  -1.169  -2.963
  221   HG21  ILE   2          HG21      ILE   2   4.701   0.059  -4.024
  222   HG22  ILE   2          HG22      ILE   2   5.046   0.958  -2.543
  223   HG23  ILE   2          HG23      ILE   2   3.921  -0.397  -2.510
  224   HD11  ILE   2          HD11      ILE   2   6.923  -0.783  -5.156
  225   HD12  ILE   2          HD12      ILE   2   8.350   0.206  -4.840
  226   HD13  ILE   2          HD13      ILE   2   6.740   0.900  -4.658
  227    H    SER   3           HN       SER   3   4.765   0.351   0.287
  228    HA   SER   3           HA       SER   3   2.211  -0.997   0.067
  229    HB2  SER   3           HB2      SER   3   3.449  -0.312   2.729
  230    HB3  SER   3           HB1      SER   3   1.769  -0.792   2.490
  231    HG   SER   3           HG       SER   3   3.456  -2.588   1.358
  232    H    DAR   4           HN       DAR   4   0.533   0.224   1.048
  233    HA   DAR   4           HA       DAR   4   0.994   3.105   0.687
  234    HB2  DAR   4           HB1      DAR   4  -1.121   1.943   2.491
  235    HB3  DAR   4           HB2      DAR   4  -0.576   3.609   2.399
  236    HG2  DAR   4           HG1      DAR   4   1.292   3.220   3.689
  237    HG3  DAR   4           HG2      DAR   4   1.365   1.517   3.237
  238    HD2  DAR   4           HD1      DAR   4  -0.369   0.929   4.703
  239    HD3  DAR   4           HD2      DAR   4  -0.859   2.606   4.932
  240    HE   DAR   4           HE       DAR   4   1.819   2.093   5.818
  241   HH11  DAR   4          HH21      DAR   4   0.886   2.155   9.222
  242   HH12  DAR   4          HH22      DAR   4   2.264   2.231   8.066
  243   HH21  DAR   4          HH11      DAR   4  -1.268   1.979   8.447
  244   HH22  DAR   4          HH12      DAR   4  -1.587   1.927   6.676
  245    HA   28J   5           HA       28J   5  -2.864   2.635  -1.393
  246    H22  28J   5           HB       28J   5  -2.150   3.505  -3.853
  247    H23  28J   5          HG21      28J   5   0.410   2.662  -2.508
  248    H24  28J   5          HG22      28J   5   0.050   4.259  -3.160
  249    H25  28J   5          HG23      28J   5   0.195   2.875  -4.244
  250    H26  28J   5          HG11      28J   5  -2.885   1.202  -2.925
  251    H27  28J   5          HG12      28J   5  -1.163   0.845  -2.849
  252    H28  28J   5          HD11      28J   5  -0.979   1.253  -5.254
  253    H29  28J   5          HD12      28J   5  -2.711   1.577  -5.321
  254    H30  28J   5          HD13      28J   5  -2.130  -0.029  -4.880
  255    H    ILE   6           HN       ILE   6  -4.604   3.853  -1.888
  256    HA   ILE   6           HA       ILE   6  -4.224   6.741  -1.760
  257    HB   ILE   6           HB       ILE   6  -3.872   6.825  -3.991
  258   HG12  ILE   6          HG12      ILE   6  -6.871   6.868  -3.785
  259   HG13  ILE   6          HG11      ILE   6  -5.770   8.233  -3.747
  260   HG21  ILE   6          HG21      ILE   6  -4.702   5.409  -5.744
  261   HG22  ILE   6          HG22      ILE   6  -5.785   4.574  -4.633
  262   HG23  ILE   6          HG23      ILE   6  -4.038   4.405  -4.457
  263   HD11  ILE   6          HD11      ILE   6  -6.467   6.524  -6.111
  264   HD12  ILE   6          HD12      ILE   6  -5.254   7.811  -6.118
  265   HD13  ILE   6          HD13      ILE   6  -6.947   8.192  -5.800
  266    H    SER   7           HN       SER   7  -5.890   7.881  -0.931
  267    HA   SER   7           HA       SER   7  -8.593   6.908  -1.028
  268    HB2  SER   7           HB2      SER   7  -8.493   6.948   1.650
  269    HB3  SER   7           HB1      SER   7  -8.304   5.479   0.691
  270    HG   SER   7           HG       SER   7  -5.939   6.676   0.851
  271    H    DTH   8           HN       DTC   8  -9.822   8.039   0.926
  272    HA   DTH   8           HA       DTC   8  -8.982  10.862   1.137
  273    HB   DTH   8           HB       DTC   8 -10.530  11.091   3.085
  274   HG21  DTH   8          HG21      DTC   8  -8.166  10.487   3.489
  275   HG22  DTH   8          HG22      DTC   8  -8.574   8.775   3.359
  276   HG23  DTH   8          HG23      DTC   8  -9.236   9.742   4.676
  277    H    ALA   9           HN       ALA   9 -11.041   8.977  -0.636
  278    HA   ALA   9           HA       ALA   9 -12.871  11.013  -1.336
  279    HB1  ALA   9           HB1      ALA   9 -12.705   9.511  -3.035
  280    HB2  ALA   9           HB2      ALA   9 -14.098   8.819  -2.203
  281    HB3  ALA   9           HB3      ALA   9 -12.491   8.140  -1.943
  282    H    LEU  10           HN       LEU  10 -13.434   7.848   0.055
  283    HA   LEU  10           HA       LEU  10 -15.926   8.764   1.306
  284    HB2  LEU  10           HB2      LEU  10 -14.556   6.079   1.242
  285    HB3  LEU  10           HB1      LEU  10 -15.939   6.389   2.275
  286    HG   LEU  10           HG       LEU  10 -17.390   6.160   0.595
  287   HD11  LEU  10          HD11      LEU  10 -16.809   7.133  -1.728
  288   HD12  LEU  10          HD12      LEU  10 -15.509   7.946  -0.857
  289   HD13  LEU  10          HD13      LEU  10 -17.187   8.219  -0.390
  290   HD21  LEU  10          HD21      LEU  10 -16.721   4.328  -0.450
  291   HD22  LEU  10          HD22      LEU  10 -15.040   4.719  -0.088
  292   HD23  LEU  10          HD23      LEU  10 -15.782   5.313  -1.573
  293    H    ILE  11           HN       ILE  11 -12.859   7.394   2.416
  294    HA   ILE  11           HA       ILE  11 -13.530   8.442   5.120
  295    HB   ILE  11           HB       ILE  11 -11.988   6.877   6.112
  296   HG12  ILE  11          HG12      ILE  11 -11.366   5.503   3.533
  297   HG13  ILE  11          HG11      ILE  11 -10.484   6.983   3.894
  298   HG21  ILE  11          HG21      ILE  11 -13.680   5.499   4.032
  299   HG22  ILE  11          HG22      ILE  11 -14.199   6.000   5.640
  300   HG23  ILE  11          HG23      ILE  11 -12.994   4.726   5.460
  301   HD11  ILE  11          HD11      ILE  11 -10.574   4.499   5.602
  302   HD12  ILE  11          HD12      ILE  11  -9.708   5.983   6.001
  303   HD13  ILE  11          HD13      ILE  11  -9.229   5.033   4.595
  304    H    ZAE   1           HN1      DPH   1  -9.927  16.710  -0.780
  305    HA   ZAE   1           HA       DPH   1  -9.905  15.310  -2.733
  306    HB2  ZAE   1           HB1      DPH   1 -11.404  13.814  -0.585
  307    HB3  ZAE   1           HB2      DPH   1 -11.912  15.408  -1.134
  308    HD1  ZAE   1           HD1      DPH   1 -10.805  14.594  -4.067
  309    HD2  ZAE   1           HD2      DPH   1 -13.654  13.000  -1.314
  310    HE1  ZAE   1           HE1      DPH   1 -12.045  13.576  -5.942
  311    HE2  ZAE   1           HE2      DPH   1 -14.895  11.979  -3.185
  312    HZ   ZAE   1           HZ       DPH   1 -14.093  12.269  -5.501
  313    H11  ZAE   1          HN11      DPH   1  -8.799  14.386   0.636
  314    H12  ZAE   1          HN12      DPH   1 -10.383  15.111   0.916
  315    H13  ZAE   1          HN13      DPH   1  -8.919  16.028   1.276
  316    HN2  ZAE   1           HN2      DPH   1  -8.381  16.080  -1.061
  317    H    ILE   2           HN       ILE   2  -7.635  14.513  -2.778
  318    HA   ILE   2           HA       ILE   2  -7.641  11.614  -2.347
  319    HB   ILE   2           HB       ILE   2  -6.663  13.334  -4.496
  320   HG12  ILE   2          HG12      ILE   2  -6.933  10.327  -4.342
  321   HG13  ILE   2          HG11      ILE   2  -8.246  11.427  -4.740
  322   HG21  ILE   2          HG21      ILE   2  -4.745  11.240  -3.466
  323   HG22  ILE   2          HG22      ILE   2  -4.497  12.987  -3.443
  324   HG23  ILE   2          HG23      ILE   2  -4.599  12.132  -4.980
  325   HD11  ILE   2          HD11      ILE   2  -7.047  12.143  -6.729
  326   HD12  ILE   2          HD12      ILE   2  -7.313  10.399  -6.717
  327   HD13  ILE   2          HD13      ILE   2  -5.722  11.051  -6.323
  328    H    SER   3           HN       SER   3  -6.291  10.703  -0.956
  329    HA   SER   3           HA       SER   3  -3.822  12.022  -0.210
  330    HB2  SER   3           HB2      SER   3  -5.821  11.277   1.929
  331    HB3  SER   3           HB1      SER   3  -4.182  11.861   2.205
  332    HG   SER   3           HG       SER   3  -5.391  13.631   0.649
  333    H    DAR   4           HN       DAR   4  -2.485  10.683   1.197
  334    HA   DAR   4           HA       DAR   4  -2.774   7.841   0.485
  335    HB2  DAR   4           HB1      DAR   4  -1.622   8.991   3.022
  336    HB3  DAR   4           HB2      DAR   4  -1.725   7.281   2.611
  337    HG2  DAR   4           HG1      DAR   4  -4.027   7.251   2.824
  338    HG3  DAR   4           HG2      DAR   4  -4.151   9.012   2.734
  339    HD2  DAR   4           HD1      DAR   4  -3.235   9.275   4.885
  340    HD3  DAR   4           HD2      DAR   4  -2.696   7.595   4.936
  341    HE   DAR   4           HE       DAR   4  -5.514   7.861   4.613
  342   HH11  DAR   4          HH21      DAR   4  -6.162   6.966   7.928
  343   HH12  DAR   4          HH22      DAR   4  -6.853   7.157   6.284
  344   HH21  DAR   4          HH11      DAR   4  -3.870   7.261   8.255
  345   HH22  DAR   4          HH12      DAR   4  -2.837   7.729   6.865
  346    HA   28J   5           HA       28J   5   1.505   8.295  -0.074
  347    H22  28J   5           HB       28J   5   1.818   7.731  -2.717
  348    H23  28J   5          HG21      28J   5  -0.572   7.114  -2.921
  349    H24  28J   5          HG22      28J   5  -0.139   8.486  -3.940
  350    H25  28J   5          HG23      28J   5  -1.013   8.749  -2.431
  351    H26  28J   5          HG11      28J   5   2.321   9.865  -1.458
  352    H27  28J   5          HG12      28J   5   0.636  10.322  -1.691
  353    H28  28J   5          HD11      28J   5   2.109  11.393  -3.315
  354    H29  28J   5          HD12      28J   5   0.939  10.326  -4.092
  355    H30  28J   5          HD13      28J   5   2.613   9.807  -3.899
  356    H    ILE   6           HN       ILE   6   3.352   7.028  -0.863
  357    HA   ILE   6           HA       ILE   6   2.921   4.117  -0.615
  358    HB   ILE   6           HB       ILE   6   3.517   4.286  -2.813
  359   HG12  ILE   6          HG12      ILE   6   5.448   3.227  -1.218
  360   HG13  ILE   6          HG11      ILE   6   5.489   3.175  -2.977
  361   HG21  ILE   6          HG21      ILE   6   5.068   5.934  -3.792
  362   HG22  ILE   6          HG22      ILE   6   5.335   6.624  -2.191
  363   HG23  ILE   6          HG23      ILE   6   3.734   6.699  -2.928
  364   HD11  ILE   6          HD11      ILE   6   7.607   3.853  -2.020
  365   HD12  ILE   6          HD12      ILE   6   6.816   5.234  -1.255
  366   HD13  ILE   6          HD13      ILE   6   6.897   5.126  -3.016
  367    H    SER   7           HN       SER   7   4.035   3.085   0.984
  368    HA   SER   7           HA       SER   7   6.674   4.017   1.842
  369    HB2  SER   7           HB2      SER   7   5.996   3.837   4.272
  370    HB3  SER   7           HB1      SER   7   5.334   5.245   3.433
  371    HG   SER   7           HG       SER   7   3.508   3.577   3.034
  372    H    DTH   8           HN       DTC   8   7.800   2.465   3.101
  373    HA   DTH   8           HA       DTC   8   7.035  -0.291   2.561
  374    HB   DTH   8           HB       DTC   8   7.345  -1.122   4.848
  375   HG21  DTH   8          HG21      DTC   8   5.377   1.172   4.722
  376   HG22  DTH   8          HG22      DTC   8   5.355  -0.115   5.931
  377   HG23  DTH   8          HG23      DTC   8   5.091  -0.495   4.228
  378    H    ALA   9           HN       ALA   9   9.459   2.095   3.361
  379    HA   ALA   9           HA       ALA   9  11.443   0.368   2.898
  380    HB1  ALA   9           HB1      ALA   9  12.398   2.305   2.173
  381    HB2  ALA   9           HB2      ALA   9  12.150   3.075   3.729
  382    HB3  ALA   9           HB3      ALA   9  10.851   3.078   2.536
  383    H    LEU  10           HN       LEU  10  11.711   2.782   5.320
  384    HA   LEU  10           HA       LEU  10  12.782   1.200   7.355
  385    HB2  LEU  10           HB2      LEU  10  11.849   3.234   8.786
  386    HB3  LEU  10           HB1      LEU  10  13.232   3.398   7.723
  387    HG   LEU  10           HG       LEU  10  11.363   4.091   5.981
  388   HD11  LEU  10          HD11      LEU  10   9.539   5.207   7.001
  389   HD12  LEU  10          HD12      LEU  10  10.190   4.910   8.614
  390   HD13  LEU  10          HD13      LEU  10   9.612   3.564   7.633
  391   HD21  LEU  10          HD21      LEU  10  12.948   5.605   7.937
  392   HD22  LEU  10          HD22      LEU  10  11.575   6.483   7.264
  393   HD23  LEU  10          HD23      LEU  10  12.806   5.810   6.196
  394    H    ILE  11           HN       ILE  11   9.598   2.131   6.645
  395    HA   ILE  11           HA       ILE  11   8.537   0.580   8.935
  396    HB   ILE  11           HB       ILE  11   6.557   2.075   9.019
  397   HG12  ILE  11          HG12      ILE  11   7.895   4.269   7.549
  398   HG13  ILE  11          HG11      ILE  11   7.275   2.967   6.541
  399   HG21  ILE  11          HG21      ILE  11   9.294   3.132   9.548
  400   HG22  ILE  11          HG22      ILE  11   8.028   2.656  10.681
  401   HG23  ILE  11          HG23      ILE  11   7.900   4.180   9.805
  402   HD11  ILE  11          HD11      ILE  11   5.675   4.600   8.510
  403   HD12  ILE  11          HD12      ILE  11   5.046   3.285   7.517
  404   HD13  ILE  11          HD13      ILE  11   5.648   4.756   6.754
  405    H1   ALA   1           HN       ALA   1 -17.410  -9.788   1.914
  406    HA   ALA   1           HA       ALA   1 -20.180  -9.875   1.500
  407    HB1  ALA   1           HB1      ALA   1 -20.248  -8.196   3.317
  408    HB2  ALA   1           HB2      ALA   1 -20.915  -7.593   1.783
  409    HB3  ALA   1           HB3      ALA   1 -19.294  -7.109   2.304
  410    H    DGL   2           HN       DGL   2 -20.258  -7.102   0.171
  411    HA   DGL   2           HA       DGL   2 -19.303  -6.086  -1.570
  412    HB2  DGL   2           HB1      DGL   2 -19.042  -7.416  -3.662
  413    HB3  DGL   2           HB2      DGL   2 -20.511  -7.821  -2.803
  414    HG2  DGL   2           HG1      DGL   2 -19.905 -10.082  -2.733
  415    HG3  DGL   2           HG2      DGL   2 -18.337  -9.744  -2.000
  416    H    LYS   3           HN       LYS   3 -16.543  -9.728  -3.333
  417    HA   LYS   3           HA       LYS   3 -15.233 -10.423  -4.910
  418    HB2  LYS   3           HB2      LYS   3 -17.339 -12.115  -5.078
  419    HB3  LYS   3           HB1      LYS   3 -17.069 -11.672  -6.775
  420    HG2  LYS   3           HG2      LYS   3 -14.896 -12.536  -4.841
  421    HG3  LYS   3           HG1      LYS   3 -15.703 -13.624  -5.956
  422    HD2  LYS   3           HD2      LYS   3 -13.770 -13.245  -7.207
  423    HD3  LYS   3           HD1      LYS   3 -14.891 -12.061  -7.782
  424    HE2  LYS   3           HE2      LYS   3 -12.906 -10.910  -7.805
  425    HE3  LYS   3           HE1      LYS   3 -13.916 -10.424  -6.222
  426    HZ1  LYS   3           HZ1      LYS   3 -11.180 -11.548  -6.296
  427    HZ2  LYS   3           HZ2      LYS   3 -12.213 -11.402  -4.996
  428    HZ3  LYS   3           HZ3      LYS   3 -11.757 -10.032  -5.807
  429    H    DAL   4           HN       DAL   4 -16.388  -7.965  -4.766
  430    HA   DAL   4           HA       DAL   4 -16.397  -5.588  -5.797
  431    HB1  DAL   4           HB1      DAL   4 -16.455  -6.661  -8.524
  432    HB2  DAL   4           HB2      DAL   4 -16.586  -4.980  -8.013
  433    HB3  DAL   4           HB3      DAL   4 -17.930  -6.150  -7.617
  434    H    DAL   5           HN       DAL   5 -14.501  -6.922  -4.160
  435    HA   DAL   5           HA       DAL   5 -12.146  -7.222  -3.432
  436    HB1  DAL   5           HB1      DAL   5 -10.806  -5.270  -4.079
  437    HB2  DAL   5           HB2      DAL   5 -12.352  -4.688  -3.472
  438    HB3  DAL   5           HB3      DAL   5 -11.978  -4.637  -5.245
  439    H1   ALA   1           HN       ALA   1  16.084  -9.143  -7.939
  440    HA   ALA   1           HA       ALA   1  17.001 -11.521  -9.103
  441    HB1  ALA   1           HB1      ALA   1  15.281 -12.687  -7.883
  442    HB2  ALA   1           HB2      ALA   1  14.881 -12.703  -9.615
  443    HB3  ALA   1           HB3      ALA   1  14.042 -11.598  -8.514
  444    H    DGL   2           HN       DGL   2  13.714 -10.799 -10.106
  445    HA   DGL   2           HA       DGL   2  12.983  -9.609 -11.830
  446    HB2  DGL   2           HB1      DGL   2  14.893 -10.776 -13.058
  447    HB3  DGL   2           HB2      DGL   2  15.844  -9.349 -12.710
  448    HG2  DGL   2           HG1      DGL   2  13.407  -8.631 -14.212
  449    HG3  DGL   2           HG2      DGL   2  14.309  -9.800 -15.177
  450    H    LYS   3           HN       LYS   3  16.820  -9.153 -15.085
  451    HA   LYS   3           HA       LYS   3  17.030  -6.336 -15.578
  452    HB2  LYS   3           HB2      LYS   3  18.284  -7.313 -13.638
  453    HB3  LYS   3           HB1      LYS   3  19.451  -7.916 -14.829
  454    HG2  LYS   3           HG2      LYS   3  18.754  -5.205 -15.490
  455    HG3  LYS   3           HG1      LYS   3  19.142  -5.269 -13.779
  456    HD2  LYS   3           HD2      LYS   3  21.234  -4.671 -14.755
  457    HD3  LYS   3           HD1      LYS   3  21.275  -6.352 -14.351
  458    HE2  LYS   3           HE1      LYS   3  22.457  -5.764 -16.468
  459    HE3  LYS   3           HE2      LYS   3  21.118  -7.168 -16.426
  460    HZ1  LYS   3           HZ1      LYS   3  21.672  -5.587 -18.576
  461    HZ2  LYS   3           HZ2      LYS   3  20.274  -4.895 -17.861
  462    HZ3  LYS   3           HZ3      LYS   3  20.336  -6.554 -18.195
  463    H    DAL   4           HN       DAL   4  15.901  -7.032 -17.385
  464    HA   DAL   4           HA       DAL   4  15.557  -6.717 -19.902
  465    HB1  DAL   4           HB1      DAL   4  17.192  -9.087 -20.272
  466    HB2  DAL   4           HB2      DAL   4  16.138  -8.295 -21.441
  467    HB3  DAL   4           HB3      DAL   4  15.410  -9.135 -19.990
  468    H    DAL   5           HN       DAL   5  16.258  -4.400 -19.460
  469    HA   DAL   5           HA       DAL   5  17.696  -2.266 -19.714
  470    HB1  DAL   5           HB1      DAL   5  18.766  -4.279 -21.645
  471    HB2  DAL   5           HB2      DAL   5  18.872  -2.533 -21.837
  472    HB3  DAL   5           HB3      DAL   5  17.325  -3.374 -22.086
  473    H1   ALA   1           HN       ALA   1 -17.128   1.489  -5.230
  474    HA   ALA   1           HA       ALA   1 -19.869   0.994  -4.870
  475    HB1  ALA   1           HB1      ALA   1 -19.049   3.618  -3.630
  476    HB2  ALA   1           HB2      ALA   1 -19.618   2.196  -2.728
  477    HB3  ALA   1           HB3      ALA   1 -20.697   3.028  -3.858
  478    H    DGL   2           HN       DGL   2 -21.094   3.416  -5.638
  479    HA   DGL   2           HA       DGL   2 -21.384   4.593  -7.582
  480    HB2  DGL   2           HB1      DGL   2 -19.041   3.016  -8.566
  481    HB3  DGL   2           HB2      DGL   2 -19.926   4.201  -9.510
  482    HG2  DGL   2           HG1      DGL   2 -22.038   2.690  -9.165
  483    HG3  DGL   2           HG2      DGL   2 -20.994   1.418  -8.531
  484    H    LYS   3           HN       LYS   3 -19.854   3.470 -11.129
  485    HA   LYS   3           HA       LYS   3 -19.210   3.099 -13.160
  486    HB2  LYS   3           HB2      LYS   3 -18.988   0.531 -11.927
  487    HB3  LYS   3           HB1      LYS   3 -19.163   0.385 -13.686
  488    HG2  LYS   3           HG2      LYS   3 -17.267   2.319 -12.321
  489    HG3  LYS   3           HG1      LYS   3 -16.794   0.703 -12.816
  490    HD2  LYS   3           HD2      LYS   3 -15.937   1.948 -14.621
  491    HD3  LYS   3           HD1      LYS   3 -17.475   1.349 -15.138
  492    HE2  LYS   3           HE1      LYS   3 -17.440   3.416 -16.104
  493    HE3  LYS   3           HE2      LYS   3 -18.478   3.509 -14.468
  494    HZ1  LYS   3           HZ1      LYS   3 -16.623   4.942 -13.668
  495    HZ2  LYS   3           HZ2      LYS   3 -17.795   5.539 -14.688
  496    HZ3  LYS   3           HZ3      LYS   3 -16.316   5.146 -15.320
  497    H    DAL   4           HN       DAL   4 -21.271   4.189 -13.038
  498    HA   DAL   4           HA       DAL   4 -23.666   4.719 -14.082
  499    HB1  DAL   4           HB1      DAL   4 -23.480   2.510 -15.958
  500    HB2  DAL   4           HB2      DAL   4 -24.772   3.698 -15.801
  501    HB3  DAL   4           HB3      DAL   4 -24.500   2.477 -14.468
  502    H    DAL   5           HN       DAL   5 -22.227   6.715 -13.887
  503    HA   DAL   5           HA       DAL   5 -20.946   8.775 -14.769
  504    HB1  DAL   5           HB1      DAL   5 -21.847   7.268 -17.188
  505    HB2  DAL   5           HB2      DAL   5 -21.486   8.990 -17.147
  506    HB3  DAL   5           HB3      DAL   5 -22.978   8.364 -16.406
  507    H1   ALA   1           HN       ALA   1  12.469  10.841   8.335
  508    HA   ALA   1           HA       ALA   1  14.875  10.306   9.664
  509    HB1  ALA   1           HB1      ALA   1  14.959   8.231   8.398
  510    HB2  ALA   1           HB2      ALA   1  16.278   9.316   7.905
  511    HB3  ALA   1           HB3      ALA   1  14.844   9.133   6.884
  512    H    DGL   2           HN       DGL   2  13.580  11.251   6.399
  513    HA   DGL   2           HA       DGL   2  13.586  13.349   5.688
  514    HB2  DGL   2           HB1      DGL   2  16.183  12.277   5.450
  515    HB3  DGL   2           HB2      DGL   2  16.426  13.894   6.072
  516    HG2  DGL   2           HG1      DGL   2  16.243  14.805   3.922
  517    HG3  DGL   2           HG2      DGL   2  14.688  14.030   3.614
  518    H    LYS   3           HN       LYS   3  14.717  11.985   2.573
  519    HA   LYS   3           HA       LYS   3  15.241  10.662   0.937
  520    HB2  LYS   3           HB2      LYS   3  16.010  12.357  -0.365
  521    HB3  LYS   3           HB1      LYS   3  17.526  12.539   0.537
  522    HG2  LYS   3           HG2      LYS   3  17.926  10.038  -0.144
  523    HG3  LYS   3           HG1      LYS   3  16.677  10.337  -1.340
  524    HD2  LYS   3           HD2      LYS   3  18.722  10.617  -2.570
  525    HD3  LYS   3           HD1      LYS   3  18.007  12.160  -2.258
  526    HE2  LYS   3           HE1      LYS   3  20.281  12.566  -2.130
  527    HE3  LYS   3           HE2      LYS   3  19.489  12.491  -0.360
  528    HZ1  LYS   3           HZ1      LYS   3  22.012  11.923  -0.734
  529    HZ2  LYS   3           HZ2      LYS   3  21.334  10.394  -1.120
  530    HZ3  LYS   3           HZ3      LYS   3  20.933  11.171   0.330
  531    H    DAL   4           HN       DAL   4  18.285  11.187   2.405
  532    HA   DAL   4           HA       DAL   4  18.852   8.481   3.869
  533    HB1  DAL   4           HB1      DAL   4  18.533  10.031   5.545
  534    HB2  DAL   4           HB2      DAL   4  19.897  10.995   4.984
  535    HB3  DAL   4           HB3      DAL   4  20.181   9.294   5.586
  536    H    DAL   5           HN       DAL   5  19.727   7.176   2.160
  537    HA   DAL   5           HA       DAL   5  21.277   6.283   0.300
  538    HB1  DAL   5           HB1      DAL   5  22.694   8.612   1.528
  539    HB2  DAL   5           HB2      DAL   5  23.480   7.288   0.677
  540    HB3  DAL   5           HB3      DAL   5  22.813   7.041   2.308
  541    H12  P1W 103           H12      TPL  10  -8.618  -4.973   3.145
  542    H11  P1W 103           H11      TPL  10  -9.638  -3.652   3.735
  543    H2   P1W 103           H2       TPL  10 -10.754  -5.427   1.561
  544    H43  P1W 103           H42      TPL  10 -10.204  -3.800  -1.197
  545    H42  P1W 103           H41      TPL  10 -11.465  -4.654  -0.314
  546    H51  P1W 103           H51      TPL  10  -9.550  -1.560   0.434
  547    H52  P1W 103           H52      TPL  10  -8.198  -2.689   0.498
  548    H53  P1W 103           H53      TPL  10  -8.940  -2.122   1.997
  549    H12  P1W 104           H12      TPL  11 -11.289  -1.681  -0.745
  550    H11  P1W 104           H11      TPL  11 -12.439  -2.784  -1.492
  551    H2   P1W 104           H2       TPL  11 -12.548  -1.629   1.251
  552    H43  P1W 104           H42      TPL  11 -15.843  -3.453   1.616
  553    H42  P1W 104           H41      TPL  11 -14.494  -3.126   2.707
  554    H51  P1W 104           H51      TPL  11 -13.962  -4.772  -0.551
  555    H52  P1W 104           H52      TPL  11 -14.528  -3.351  -1.430
  556    H53  P1W 104           H53      TPL  11 -15.586  -4.156  -0.269
  557    H12  P1W 105           H12      TPL  11   8.193  -5.297  -5.710
  558    H11  P1W 105           H11      TPL  11   8.482  -4.420  -7.211
  559    H2   P1W 105           H2       TPL  11   9.679  -7.186  -6.735
  560    H43  P1W 105           H42      TPL  11   7.965  -8.182  -9.920
  561    H42  P1W 105           H41      TPL  11   9.537  -8.371  -9.136
  562    H51  P1W 105           H51      TPL  11   7.298  -5.935  -9.911
  563    H52  P1W 105           H52      TPL  11   7.158  -5.054  -8.389
  564    H53  P1W 105           H53      TPL  11   6.208  -6.516  -8.655
  565    H12  P1W 106           H12      TPL  12 -15.336  -0.893   0.945
  566    H11  P1W 106           H11      TPL  12 -16.478  -1.352   2.206
  567    H2   P1W 106           H2       TPL  12 -13.595  -0.464   2.629
  568    H43  P1W 106           H43      TPL  12 -13.830  -0.147   5.884
  569    H41  P1W 106           H41      TPL  12 -14.733   1.343   5.585
  570    H42  P1W 106           H42      TPL  12 -13.321   0.955   4.604
  571    H51  P1W 106           H51      TPL  12 -16.741  -1.460   4.554
  572    H52  P1W 106           H52      TPL  12 -17.166   0.138   3.944
  573    H53  P1W 106           H53      TPL  12 -16.613  -0.048   5.610
  574    H12  P1W 107           H12      TPL  12   8.150  -9.154  -7.084
  575    H11  P1W 107           H11      TPL  12   6.846  -9.380  -8.245
  576    H2   P1W 107           H2       TPL  12   9.571 -10.733  -8.389
  577    H43  P1W 107           H43      TPL  12   8.046 -13.330 -10.521
  578    H41  P1W 107           H41      TPL  12   8.398 -13.670  -8.823
  579    H42  P1W 107           H42      TPL  12   9.563 -12.784  -9.806
  580    H51  P1W 107           H51      TPL  12   6.043 -12.452  -9.996
  581    H52  P1W 107           H52      TPL  12   6.343 -10.783 -10.473
  582    H53  P1W 107           H53      TPL  12   5.786 -11.143  -8.837
  583    H12  P1W 103           H12      TPL  10  11.758  -4.455  -1.882
  584    H11  P1W 103           H11      TPL  10  10.051  -4.887  -1.769
  585    H2   P1W 103           H2       TPL  10  11.750  -5.702  -4.167
  586    H43  P1W 103           H42      TPL  10  10.475  -3.747  -6.454
  587    H42  P1W 103           H41      TPL  10  10.964  -5.415  -6.180
  588    H51  P1W 103           H51      TPL  10   8.897  -3.553  -2.968
  589    H52  P1W 103           H52      TPL  10   8.300  -3.360  -4.615
  590    H53  P1W 103           H53      TPL  10   9.666  -2.392  -4.059
  591    H12  P1W 103           H12      TPL  10  -8.547   7.922  -3.202
  592    H11  P1W 103           H11      TPL  10 -10.079   8.129  -2.361
  593    H2   P1W 103           H2       TPL  10 -10.183   6.260  -4.693
  594    H43  P1W 103           H42      TPL  10 -11.791   6.918  -6.322
  595    H42  P1W 103           H41      TPL  10 -12.246   8.614  -6.474
  596    H51  P1W 103           H51      TPL  10 -11.451  10.231  -4.783
  597    H52  P1W 103           H52      TPL  10  -9.875  10.163  -5.575
  598    H53  P1W 103           H53      TPL  10 -10.002   9.853  -3.842
  599    H12  P1W 103           H12      TPL  10   9.225   7.674  -0.146
  600    H11  P1W 103           H11      TPL  10  10.175   7.205   1.267
  601    H2   P1W 103           H2       TPL  10   8.347   7.757   2.680
  602    H43  P1W 103           H42      TPL  10   6.608   9.342   3.256
  603    H42  P1W 103           H41      TPL  10   6.630  10.667   2.099
  604    H51  P1W 103           H51      TPL  10   6.255   9.668  -0.433
  605    H52  P1W 103           H52      TPL  10   5.798   7.987  -0.153
  606    H53  P1W 103           H53      TPL  10   7.384   8.368  -0.830
  607    H12  P1W 104           H12      TPL  11  -9.889   8.938  -7.461
  608    H11  P1W 104           H11      TPL  11  -9.869   7.187  -7.652
  609    H2   P1W 104           H2       TPL  11 -11.985   7.366  -9.040
  610    H43  P1W 104           H42      TPL  11 -11.876  10.212 -11.435
  611    H42  P1W 104           H41      TPL  11 -12.283   8.499 -11.322
  612    H51  P1W 104           H51      TPL  11 -11.236  11.450  -9.703
  613    H52  P1W 104           H52      TPL  11  -9.735  10.588  -9.364
  614    H53  P1W 104           H53      TPL  11 -10.928  10.819  -8.086
  615    H12  P1W 105           H12      TPL  11   4.358  10.229   2.594
  616    H11  P1W 105           H11      TPL  11   4.645   9.591   0.979
  617    H2   P1W 105           H2       TPL  11   5.170   7.386   2.654
  618    H43  P1W 105           H42      TPL  11   2.235   5.954   2.480
  619    H42  P1W 105           H41      TPL  11   3.515   5.913   3.695
  620    H51  P1W 105           H51      TPL  11   1.069   8.406   2.883
  621    H52  P1W 105           H52      TPL  11   2.127   9.563   2.076
  622    H53  P1W 105           H53      TPL  11   2.102   9.466   3.836
  623    H12  P1W 106           H12      TPL  12 -14.022   9.360  -9.539
  624    H11  P1W 106           H11      TPL  12 -13.833  10.888 -10.391
  625    H2   P1W 106           H2       TPL  12 -14.662   9.925 -12.449
  626    H43  P1W 106           H43      TPL  12 -16.377   8.553 -13.407
  627    H41  P1W 106           H41      TPL  12 -17.454   7.792 -12.231
  628    H42  P1W 106           H42      TPL  12 -16.142   6.864 -12.957
  629    H51  P1W 106           H51      TPL  12 -14.587   6.970 -10.021
  630    H52  P1W 106           H52      TPL  12 -16.251   6.559 -10.425
  631    H53  P1W 106           H53      TPL  12 -15.917   7.936  -9.371
  632    H12  P1W 107           H12      TPL  12   1.965   6.044   5.298
  633    H11  P1W 107           H11      TPL  12   1.480   7.623   4.690
  634    H2   P1W 107           H2       TPL  12   0.148   6.012   2.922
  635    H43  P1W 107           H43      TPL  12  -2.828   5.688   4.585
  636    H41  P1W 107           H41      TPL  12  -2.189   4.044   4.709
  637    H42  P1W 107           H42      TPL  12  -1.984   4.960   3.217
  638    H51  P1W 107           H51      TPL  12  -0.729   4.609   6.711
  639    H52  P1W 107           H52      TPL  12  -1.311   6.273   6.729
  640    H53  P1W 107           H53      TPL  12   0.421   5.948   6.625
  641    H1   MUB 101           H1       NAM   6 -15.444  -6.681   4.263
  642    H2   MUB 101           H2       NAM   6 -15.531  -8.689   5.443
  643    HN2  MUB 101           HN2      NAM   6 -13.609  -9.460   6.316
  644    H81  MUB 101           H81      NAM   6 -11.014  -9.917   5.787
  645    H82  MUB 101           H82      NAM   6 -10.985 -11.166   4.552
  646    H83  MUB 101           H83      NAM   6 -11.991 -11.404   5.974
  647    H3   MUB 101           H3       NAM   6 -14.224 -10.027   2.951
  648    H9   MUB 101           H9       NAM   6 -16.872  -9.339   4.360
  649   H111  MUB 101          H111      NAM   6 -16.688  -9.922   6.588
  650   H112  MUB 101          H112      NAM   6 -16.527 -11.597   6.139
  651   H113  MUB 101          H113      NAM   6 -18.132 -10.985   6.254
  652    H4A  MUB 101           H4       NAM   6 -16.836  -8.535   2.432
  653    H5   MUB 101           H5       NAM   6 -14.386  -7.610   1.002
  654    H61  MUB 101           H61      NAM   6 -16.488  -6.462   0.922
  655    H62  MUB 101           H62      NAM   6 -15.185  -5.309   1.412
  656    HO6  MUB 101           HO6      NAM   6 -16.674  -5.105   3.130
  657    H1   NAG 102           H1       NAG   7 -14.686 -11.045   1.518
  658    H2   NAG 102           H2       NAG   7 -15.514 -10.415  -1.463
  659    H3   NAG 102           H3       NAG   7 -13.724 -12.662  -0.352
  660    H4   NAG 102           H4       NAG   7 -12.727 -10.355  -1.988
  661    H5   NAG 102           H5       NAG   7 -12.292 -10.809   1.150
  662    H61  NAG 102           H61      NAG   7 -10.397  -9.694   0.149
  663    H62  NAG 102           H62      NAG   7 -11.297  -8.713   1.283
  664    H81  NAG 102           H81      NAG   7 -18.477 -12.969   0.769
  665    H82  NAG 102           H82      NAG   7 -17.552 -14.338   1.371
  666    H83  NAG 102           H83      NAG   7 -17.779 -14.161  -0.366
  667    HN2  NAG 102           HN2      NAG   7 -17.076 -11.642  -1.014
  668    HO3  NAG 102           HO3      NAG   7 -13.385 -12.818  -2.577
  669    HO4  NAG 102           HO4      NAG   7 -10.759 -11.175  -1.430
  670    HO6  NAG 102           HO6      NAG   7 -11.853  -7.458  -0.367
  671    H1   MUB 101           H1       NAM   6  12.212  -9.268  -4.903
  672    H2   MUB 101           H2       NAM   6  14.203  -9.038  -3.862
  673    HN2  MUB 101           HN2      NAM   6  14.447  -7.331  -2.416
  674    H81  MUB 101           H81      NAM   6  14.071  -4.594  -2.144
  675    H82  MUB 101           H82      NAM   6  15.282  -3.920  -3.229
  676    H83  MUB 101           H83      NAM   6  15.750  -5.209  -2.127
  677    H3   MUB 101           H3       NAM   6  14.801  -6.689  -5.847
  678    H9   MUB 101           H9       NAM   6  15.179  -9.730  -5.449
  679   H111  MUB 101          H111      NAM   6  17.577  -9.492  -3.530
  680   H112  MUB 101          H112      NAM   6  16.774 -11.002  -3.859
  681   H113  MUB 101          H113      NAM   6  15.795  -9.731  -3.232
  682    H4A  MUB 101           H4       NAM   6  14.218  -9.423  -7.056
  683    H5   MUB 101           H5       NAM   6  12.379  -7.177  -7.776
  684    H61  MUB 101           H61      NAM   6  12.038  -9.497  -8.325
  685    H62  MUB 101           H62      NAM   6  10.543  -8.819  -7.590
  686    HO6  MUB 101           HO6      NAM   6  10.993 -10.396  -5.996
  687    H1   NAG 102           H1       NAG   7  15.992  -6.587  -7.355
  688    H2   NAG 102           H2       NAG   7  15.130  -6.591 -10.363
  689    H3   NAG 102           H3       NAG   7  17.059  -4.585  -9.044
  690    H4   NAG 102           H4       NAG   7  14.303  -3.860  -9.966
  691    H5   NAG 102           H5       NAG   7  15.280  -4.284  -6.945
  692    H61  NAG 102           H61      NAG   7  13.584  -2.480  -7.222
  693    H62  NAG 102           H62      NAG   7  13.189  -3.829  -6.173
  694    H81  NAG 102           H81      NAG   7  19.457  -7.880 -10.356
  695    H82  NAG 102           H82      NAG   7  18.744  -9.134  -9.351
  696    H83  NAG 102           H83      NAG   7  19.894  -8.013  -8.629
  697    HN2  NAG 102           HN2      NAG   7  16.785  -7.797 -10.513
  698    HO3  NAG 102           HO3      NAG   7  15.923  -5.180 -11.507
  699    HO4  NAG 102           HO4      NAG   7  16.026  -2.387  -9.778
  700    HO6  NAG 102           HO6      NAG   7  12.294  -4.609  -8.384
  701    H1   MUB 101           H1       NAM   6 -15.273   3.818  -2.184
  702    H2   MUB 101           H2       NAM   6 -14.224   1.771  -1.928
  703    HN2  MUB 101           HN2      NAM   6 -11.911   1.771  -2.055
  704    H81  MUB 101           H81      NAM   6  -9.818   2.687  -3.342
  705    H82  MUB 101           H82      NAM   6  -9.923   2.182  -5.024
  706    H83  MUB 101           H83      NAM   6 -10.105   0.972  -3.760
  707    H3   MUB 101           H3       NAM   6 -13.719   1.819  -4.960
  708    H9   MUB 101           H9       NAM   6 -15.921   1.443  -2.823
  709   H111  MUB 101          H111      NAM   6 -15.139  -1.439  -2.120
  710   H112  MUB 101          H112      NAM   6 -16.372  -0.575  -1.247
  711   H113  MUB 101          H113      NAM   6 -14.812   0.153  -1.295
  712    H4A  MUB 101           H4       NAM   6 -16.499   2.774  -4.086
  713    H5   MUB 101           H5       NAM   6 -14.642   4.671  -5.583
  714    H61  MUB 101           H61      NAM   6 -16.177   6.050  -5.318
  715    H62  MUB 101           H62      NAM   6 -15.961   6.143  -3.548
  716    HO6  MUB 101           HO6      NAM   6 -17.925   4.999  -5.174
  717    H1   NAG 102           H1       NAG   7 -14.495   1.593  -6.555
  718    H2   NAG 102           H2       NAG   7 -16.691   2.577  -8.608
  719    H3   NAG 102           H3       NAG   7 -14.183   0.917  -9.146
  720    H4   NAG 102           H4       NAG   7 -14.625   3.748 -10.027
  721    H5   NAG 102           H5       NAG   7 -12.676   2.702  -7.711
  722    H61  NAG 102           H61      NAG   7 -11.918   4.706  -9.048
  723    H62  NAG 102           H62      NAG   7 -11.929   4.768  -7.295
  724    H81  NAG 102           H81      NAG   7 -17.800  -1.208  -6.742
  725    H82  NAG 102           H82      NAG   7 -16.469  -2.310  -7.106
  726    H83  NAG 102           H83      NAG   7 -17.457  -1.703  -8.430
  727    HN2  NAG 102           HN2      NAG   7 -17.611   0.871  -8.174
  728    HO3  NAG 102           HO3      NAG   7 -16.141   0.830 -10.391
  729    HO4  NAG 102           HO4      NAG   7 -13.281   2.397 -11.173
  730    HO6  NAG 102           HO6      NAG   7 -14.312   5.526  -8.204
  731    H1   MUB 101           H1       NAM   6  11.445   7.067   5.641
  732    H2   MUB 101           H2       NAM   6   9.877   7.227   7.303
  733    HN2  MUB 101           HN2      NAM   6   7.704   7.181   6.747
  734    H81  MUB 101           H81      NAM   6   5.857   8.118   5.066
  735    H82  MUB 101           H82      NAM   6   5.754   9.848   5.349
  736    H83  MUB 101           H83      NAM   6   5.692   8.760   6.728
  737    H3   MUB 101           H3       NAM   6   9.458  10.136   6.339
  738    H9   MUB 101           H9       NAM   6  11.245   8.246   8.006
  739   H111  MUB 101          H111      NAM   6   9.425   8.242  10.489
  740   H112  MUB 101          H112      NAM   6  10.808   7.195  10.335
  741   H113  MUB 101          H113      NAM   6   9.605   7.063   9.109
  742    H4A  MUB 101           H4       NAM   6  12.346   9.197   6.764
  743    H5   MUB 101           H5       NAM   6  11.484  10.163   4.015
  744    H61  MUB 101           H61      NAM   6  13.764   9.472   4.523
  745    H62  MUB 101           H62      NAM   6  13.077   8.558   3.101
  746    HO6  MUB 101           HO6      NAM   6  13.109   6.742   4.545
  747    H1   NAG 102           H1       NAG   7  10.142  11.786   6.536
  748    H2   NAG 102           H2       NAG   7  12.687  13.542   6.000
  749    H3   NAG 102           H3       NAG   7   9.834  14.619   6.312
  750    H4   NAG 102           H4       NAG   7  11.278  14.590   3.687
  751    H5   NAG 102           H5       NAG   7   8.916  12.624   4.599
  752    H61  NAG 102           H61      NAG   7  10.080  13.136   1.940
  753    H62  NAG 102           H62      NAG   7   8.467  12.713   2.469
  754    H81  NAG 102           H81      NAG   7  10.248  13.026  10.602
  755    H82  NAG 102           H82      NAG   7  11.344  14.367  10.294
  756    H83  NAG 102           H83      NAG   7  11.984  12.726  10.298
  757    HN2  NAG 102           HN2      NAG   7  12.726  13.664   8.024
  758    HO3  NAG 102           HO3      NAG   7  11.670  15.871   6.747
  759    HO4  NAG 102           HO4      NAG   7   9.541  16.002   4.301
  760    HO6  NAG 102           HO6      NAG   7   9.370  10.607   2.897
  Start of MODEL   24
    1    H    ZAE   1           HN1      DPH   1   8.637 -16.402   1.449
    2    HA   ZAE   1           HA       DPH   1   8.443 -15.054  -0.522
    3    HB2  ZAE   1           HB1      DPH   1  10.191 -13.308   1.102
    4    HB3  ZAE   1           HB2      DPH   1  10.545 -15.031   1.189
    5    HD1  ZAE   1           HD1      DPH   1   9.498 -15.480  -1.758
    6    HD2  ZAE   1           HD2      DPH   1  12.320 -12.840   0.026
    7    HE1  ZAE   1           HE1      DPH   1  10.717 -15.347  -3.889
    8    HE2  ZAE   1           HE2      DPH   1  13.538 -12.704  -2.100
    9    HZ   ZAE   1           HZ       DPH   1  12.743 -13.959  -4.062
   10    H11  ZAE   1          HN11      DPH   1   7.761 -14.013   2.931
   11    H12  ZAE   1          HN12      DPH   1   9.360 -14.755   3.015
   12    H13  ZAE   1          HN13      DPH   1   7.947 -15.640   3.595
   13    HN2  ZAE   1           HN2      DPH   1   7.093 -15.715   1.342
   14    H    ILE   2           HN       ILE   2   6.380 -14.108  -0.700
   15    HA   ILE   2           HA       ILE   2   6.421 -11.235  -0.203
   16    HB   ILE   2           HB       ILE   2   5.932 -11.935  -2.497
   17   HG12  ILE   2          HG12      ILE   2   3.517 -10.816  -1.062
   18   HG13  ILE   2          HG11      ILE   2   4.817  -9.909  -1.827
   19   HG21  ILE   2          HG21      ILE   2   3.630 -13.479  -1.318
   20   HG22  ILE   2          HG22      ILE   2   5.050 -14.133  -2.136
   21   HG23  ILE   2          HG23      ILE   2   3.869 -13.185  -3.039
   22   HD11  ILE   2          HD11      ILE   2   2.919 -11.699  -3.316
   23   HD12  ILE   2          HD12      ILE   2   4.099 -10.589  -4.007
   24   HD13  ILE   2          HD13      ILE   2   2.709  -9.958  -3.127
   25    H    SER   3           HN       SER   3   4.877 -10.206   1.009
   26    HA   SER   3           HA       SER   3   2.648 -11.684   2.149
   27    HB2  SER   3           HB2      SER   3   4.685 -10.309   3.899
   28    HB3  SER   3           HB1      SER   3   3.133 -10.951   4.445
   29    HG   SER   3           HG       SER   3   4.500 -12.808   3.062
   30    H    DAR   4           HN       DAR   4   1.160 -10.300   3.300
   31    HA   DAR   4           HA       DAR   4   1.299  -7.534   2.363
   32    HB2  DAR   4           HB1      DAR   4  -0.229  -8.756   4.655
   33    HB3  DAR   4           HB2      DAR   4  -0.312  -7.062   4.179
   34    HG2  DAR   4           HG1      DAR   4   2.154  -8.523   5.108
   35    HG3  DAR   4           HG2      DAR   4   1.194  -7.396   6.071
   36    HD2  DAR   4           HD1      DAR   4   1.674  -5.635   4.396
   37    HD3  DAR   4           HD2      DAR   4   2.726  -6.769   3.550
   38    HE   DAR   4           HE       DAR   4   3.576  -6.647   6.197
   39   HH11  DAR   4          HH21      DAR   4   5.797  -3.928   5.854
   40   HH12  DAR   4          HH22      DAR   4   5.311  -5.319   6.888
   41   HH21  DAR   4          HH11      DAR   4   4.704  -3.529   3.864
   42   HH22  DAR   4          HH12      DAR   4   3.389  -4.633   3.329
   43    HA   28J   5           HA       28J   5  -2.576  -8.448   0.598
   44    H22  28J   5           HB       28J   5  -2.000  -7.508  -2.012
   45    H23  28J   5          HG21      28J   5   0.307  -9.022  -0.795
   46    H24  28J   5          HG22      28J   5   0.347  -7.354  -1.367
   47    H25  28J   5          HG23      28J   5   0.104  -8.675  -2.511
   48    H26  28J   5          HG11      28J   5  -3.303  -9.547  -1.400
   49    H27  28J   5          HG12      28J   5  -1.805 -10.322  -0.893
   50    H28  28J   5          HD11      28J   5  -0.959 -10.155  -3.193
   51    H29  28J   5          HD12      28J   5  -2.502  -9.459  -3.687
   52    H30  28J   5          HD13      28J   5  -2.436 -11.111  -3.073
   53    H    ILE   6           HN       ILE   6  -3.973  -7.147  -1.077
   54    HA   ILE   6           HA       ILE   6  -3.942  -4.306  -0.326
   55    HB   ILE   6           HB       ILE   6  -3.961  -4.038  -2.517
   56   HG12  ILE   6          HG12      ILE   6  -6.652  -5.397  -2.601
   57   HG13  ILE   6          HG11      ILE   6  -6.391  -3.720  -2.128
   58   HG21  ILE   6          HG21      ILE   6  -2.958  -6.110  -2.993
   59   HG22  ILE   6          HG22      ILE   6  -4.272  -5.944  -4.158
   60   HG23  ILE   6          HG23      ILE   6  -4.465  -6.993  -2.754
   61   HD11  ILE   6          HD11      ILE   6  -5.832  -4.974  -4.776
   62   HD12  ILE   6          HD12      ILE   6  -5.471  -3.303  -4.335
   63   HD13  ILE   6          HD13      ILE   6  -7.139  -3.876  -4.366
   64    H    SER   7           HN       SER   7  -5.508  -3.722   1.192
   65    HA   SER   7           HA       SER   7  -8.226  -4.621   0.826
   66    HB2  SER   7           HB2      SER   7  -8.310  -5.180   3.407
   67    HB3  SER   7           HB1      SER   7  -7.888  -6.425   2.231
   68    HG   SER   7           HG       SER   7  -5.651  -5.241   2.798
   69    H    DTH   8           HN       DTC   8  -9.746  -3.589   2.297
   70    HA   DTH   8           HA       DTC   8  -8.804  -0.905   3.043
   71    HB   DTH   8           HB       DTC   8 -10.187  -0.835   5.097
   72   HG21  DTH   8          HG21      DTC   8  -8.282  -3.204   5.015
   73   HG22  DTH   8          HG22      DTC   8  -8.814  -2.354   6.468
   74   HG23  DTH   8          HG23      DTC   8  -7.831  -1.519   5.267
   75    H    ALA   9           HN       ALA   9 -11.271  -3.015   1.808
   76    HA   ALA   9           HA       ALA   9 -12.970  -0.800   1.101
   77    HB1  ALA   9           HB1      ALA   9 -12.346  -2.655  -0.413
   78    HB2  ALA   9           HB2      ALA   9 -14.084  -2.401  -0.286
   79    HB3  ALA   9           HB3      ALA   9 -13.316  -3.736   0.575
   80    H    LEU  10           HN       LEU  10 -13.887  -4.051   2.344
   81    HA   LEU  10           HA       LEU  10 -16.035  -2.837   3.896
   82    HB2  LEU  10           HB2      LEU  10 -16.252  -5.317   4.690
   83    HB3  LEU  10           HB1      LEU  10 -16.780  -4.852   3.087
   84    HG   LEU  10           HG       LEU  10 -15.605  -6.987   3.069
   85   HD11  LEU  10          HD11      LEU  10 -15.136  -6.411   1.012
   86   HD12  LEU  10          HD12      LEU  10 -13.601  -5.765   1.570
   87   HD13  LEU  10          HD13      LEU  10 -15.006  -4.712   1.465
   88   HD21  LEU  10          HD21      LEU  10 -13.821  -5.793   4.852
   89   HD22  LEU  10          HD22      LEU  10 -12.901  -6.036   3.372
   90   HD23  LEU  10          HD23      LEU  10 -13.699  -7.404   4.146
   91    H    ILE  11           HN       ILE  11 -12.856  -4.078   4.305
   92    HA   ILE  11           HA       ILE  11 -13.109  -3.562   7.231
   93    HB   ILE  11           HB       ILE  11 -11.655  -5.789   5.835
   94   HG12  ILE  11          HG12      ILE  11 -13.407  -5.560   8.292
   95   HG13  ILE  11          HG11      ILE  11 -13.803  -6.359   6.775
   96   HG21  ILE  11          HG21      ILE  11 -10.952  -4.651   8.539
   97   HG22  ILE  11          HG22      ILE  11  -9.926  -4.656   7.104
   98   HG23  ILE  11          HG23      ILE  11 -10.352  -6.177   7.891
   99   HD11  ILE  11          HD11      ILE  11 -12.040  -8.021   7.236
  100   HD12  ILE  11          HD12      ILE  11 -13.311  -7.999   8.459
  101   HD13  ILE  11          HD13      ILE  11 -11.753  -7.242   8.792
  102    H    ZAE   1           HN1      DPH   1  -9.589   5.028   2.177
  103    HA   ZAE   1           HA       DPH   1  -9.905   3.633   0.405
  104    HB2  ZAE   1           HB1      DPH   1 -11.078   1.991   2.632
  105    HB3  ZAE   1           HB2      DPH   1 -11.699   3.586   2.237
  106    HD1  ZAE   1           HD1      DPH   1 -10.452   1.347  -0.348
  107    HD2  ZAE   1           HD2      DPH   1 -13.897   2.759   1.709
  108    HE1  ZAE   1           HE1      DPH   1 -11.879   0.427  -2.126
  109    HE2  ZAE   1           HE2      DPH   1 -15.340   1.826  -0.058
  110    HZ   ZAE   1           HZ       DPH   1 -14.327   0.662  -1.986
  111    H11  ZAE   1          HN11      DPH   1 -10.518   3.849   3.911
  112    H12  ZAE   1          HN12      DPH   1  -8.858   4.241   4.373
  113    H13  ZAE   1          HN13      DPH   1  -9.256   2.619   3.798
  114    HN2  ZAE   1           HN2      DPH   1  -8.165   4.110   2.146
  115    H    ILE   2           HN       ILE   2  -7.866   2.845  -0.231
  116    HA   ILE   2           HA       ILE   2  -7.544   0.013   0.489
  117    HB   ILE   2           HB       ILE   2  -7.902   0.912  -1.963
  118   HG12  ILE   2          HG12      ILE   2  -7.404  -1.447  -1.128
  119   HG13  ILE   2          HG11      ILE   2  -6.968  -1.079  -2.794
  120   HG21  ILE   2          HG21      ILE   2  -4.922   1.223  -1.634
  121   HG22  ILE   2          HG22      ILE   2  -6.082   2.503  -1.995
  122   HG23  ILE   2          HG23      ILE   2  -5.785   1.223  -3.170
  123   HD11  ILE   2          HD11      ILE   2  -5.296  -2.386  -1.421
  124   HD12  ILE   2          HD12      ILE   2  -4.974  -0.880  -0.568
  125   HD13  ILE   2          HD13      ILE   2  -4.691  -0.986  -2.304
  126    H    SER   3           HN       SER   3  -5.843  -0.674   1.478
  127    HA   SER   3           HA       SER   3  -3.357   0.816   1.490
  128    HB2  SER   3           HB2      SER   3  -4.287  -0.167   4.131
  129    HB3  SER   3           HB1      SER   3  -3.184   1.155   3.740
  130    HG   SER   3           HG       SER   3  -5.969   1.199   3.247
  131    H    DAR   4           HN       DAR   4  -1.655  -0.362   2.450
  132    HA   DAR   4           HA       DAR   4  -2.059  -3.262   2.237
  133    HB2  DAR   4           HB1      DAR   4   0.040  -1.764   3.802
  134    HB3  DAR   4           HB2      DAR   4  -0.117  -3.513   3.713
  135    HG2  DAR   4           HG1      DAR   4  -2.426  -1.896   4.678
  136    HG3  DAR   4           HG2      DAR   4  -1.055  -2.173   5.753
  137    HD2  DAR   4           HD1      DAR   4  -1.303  -4.629   5.246
  138    HD3  DAR   4           HD2      DAR   4  -2.830  -4.230   4.464
  139    HE   DAR   4           HE       DAR   4  -2.494  -3.336   7.210
  140   HH11  DAR   4          HH21      DAR   4  -5.086  -5.461   8.286
  141   HH12  DAR   4          HH22      DAR   4  -3.966  -4.137   8.762
  142   HH21  DAR   4          HH11      DAR   4  -5.032  -6.310   6.152
  143   HH22  DAR   4          HH12      DAR   4  -3.886  -5.629   4.943
  144    HA   28J   5           HA       28J   5   1.368  -2.864  -0.482
  145    H22  28J   5           HB       28J   5   0.169  -4.326  -2.582
  146    H23  28J   5          HG21      28J   5  -2.022  -3.236  -2.797
  147    H24  28J   5          HG22      28J   5  -1.829  -2.553  -1.182
  148    H25  28J   5          HG23      28J   5  -1.938  -4.301  -1.395
  149    H26  28J   5          HG11      28J   5   1.539  -2.166  -2.582
  150    H27  28J   5          HG12      28J   5   0.033  -1.334  -2.213
  151    H28  28J   5          HD11      28J   5   0.714  -2.880  -4.694
  152    H29  28J   5          HD12      28J   5   0.357  -1.160  -4.542
  153    H30  28J   5          HD13      28J   5  -0.921  -2.350  -4.300
  154    H    ILE   6           HN       ILE   6   2.599  -4.353  -2.005
  155    HA   ILE   6           HA       ILE   6   2.588  -7.093  -0.893
  156    HB   ILE   6           HB       ILE   6   2.110  -7.949  -2.836
  157   HG12  ILE   6          HG12      ILE   6   4.634  -6.615  -3.647
  158   HG13  ILE   6          HG11      ILE   6   4.188  -8.317  -3.687
  159   HG21  ILE   6          HG21      ILE   6   1.516  -6.509  -4.831
  160   HG22  ILE   6          HG22      ILE   6   1.929  -5.117  -3.838
  161   HG23  ILE   6          HG23      ILE   6   0.624  -6.191  -3.342
  162   HD11  ILE   6          HD11      ILE   6   2.771  -6.553  -5.553
  163   HD12  ILE   6          HD12      ILE   6   3.409  -8.183  -5.779
  164   HD13  ILE   6          HD13      ILE   6   4.488  -6.788  -5.843
  165    H    SER   7           HN       SER   7   4.412  -7.598   0.186
  166    HA   SER   7           HA       SER   7   6.969  -6.967  -0.969
  167    HB2  SER   7           HB2      SER   7   6.169  -5.694   1.633
  168    HB3  SER   7           HB1      SER   7   7.769  -5.617   0.893
  169    HG   SER   7           HG       SER   7   5.549  -4.810  -0.591
  170    H    DTH   8           HN       DTC   8   8.677  -8.026  -0.089
  171    HA   DTH   8           HA       DTC   8   8.169 -10.173   1.793
  172    HB   DTH   8           HB       DTC   8  10.207  -9.666   3.197
  173   HG21  DTH   8          HG21      DTC   8   8.008  -7.571   3.257
  174   HG22  DTH   8          HG22      DTC   8   9.094  -7.971   4.591
  175   HG23  DTH   8          HG23      DTC   8   7.935  -9.165   4.004
  176    H    ALA   9           HN       ALA   9  10.329  -8.989  -0.710
  177    HA   ALA   9           HA       ALA   9  12.303 -11.059  -0.390
  178    HB1  ALA   9           HB1      ALA   9  11.791  -8.996  -2.504
  179    HB2  ALA   9           HB2      ALA   9  11.598 -10.742  -2.621
  180    HB3  ALA   9           HB3      ALA   9  13.207 -10.042  -2.511
  181    H    LEU  10           HN       LEU  10  12.457  -7.822  -1.299
  182    HA   LEU  10           HA       LEU  10  15.064  -7.338  -0.286
  183    HB2  LEU  10           HB2      LEU  10  13.032  -5.184  -0.851
  184    HB3  LEU  10           HB1      LEU  10  14.777  -5.082  -0.950
  185    HG   LEU  10           HG       LEU  10  14.460  -5.270  -3.160
  186   HD11  LEU  10          HD11      LEU  10  15.529  -7.322  -2.780
  187   HD12  LEU  10          HD12      LEU  10  14.251  -7.628  -3.956
  188   HD13  LEU  10          HD13      LEU  10  14.028  -8.094  -2.270
  189   HD21  LEU  10          HD21      LEU  10  11.831  -5.365  -2.518
  190   HD22  LEU  10          HD22      LEU  10  12.048  -6.943  -3.273
  191   HD23  LEU  10          HD23      LEU  10  12.459  -5.475  -4.161
  192    H    ILE  11           HN       ILE  11  11.825  -6.898   0.916
  193    HA   ILE  11           HA       ILE  11  12.971  -6.080   3.549
  194    HB   ILE  11           HB       ILE  11  10.639  -4.676   2.190
  195   HG12  ILE  11          HG12      ILE  11  13.417  -3.816   2.947
  196   HG13  ILE  11          HG11      ILE  11  12.517  -3.477   1.474
  197   HG21  ILE  11          HG21      ILE  11  11.651  -4.416   5.014
  198   HG22  ILE  11          HG22      ILE  11  10.126  -5.152   4.516
  199   HG23  ILE  11          HG23      ILE  11  10.392  -3.424   4.276
  200   HD11  ILE  11          HD11      ILE  11  12.074  -2.223   4.180
  201   HD12  ILE  11          HD12      ILE  11  11.088  -1.915   2.751
  202   HD13  ILE  11          HD13      ILE  11  12.790  -1.456   2.762
  203    H    ZAE   1           HN1      DPH   1   8.021  -5.681  -2.207
  204    HA   ZAE   1           HA       DPH   1   7.625  -4.520  -4.057
  205    HB2  ZAE   1           HB1      DPH   1   9.911  -2.776  -3.195
  206    HB3  ZAE   1           HB2      DPH   1  10.154  -4.500  -3.430
  207    HD1  ZAE   1           HD1      DPH   1   7.850  -4.210  -5.737
  208    HD2  ZAE   1           HD2      DPH   1  11.710  -2.591  -4.976
  209    HE1  ZAE   1           HE1      DPH   1   8.191  -3.912  -8.150
  210    HE2  ZAE   1           HE2      DPH   1  12.054  -2.272  -7.400
  211    HZ   ZAE   1           HZ       DPH   1  10.288  -2.943  -8.992
  212    H11  ZAE   1          HN11      DPH   1   9.364  -3.325  -1.081
  213    H12  ZAE   1          HN12      DPH   1  10.116  -4.812  -1.668
  214    H13  ZAE   1          HN13      DPH   1   9.113  -4.846  -0.221
  215    HN2  ZAE   1           HN2      DPH   1   7.180  -4.392  -1.500
  216    H    ILE   2           HN       ILE   2   5.604  -3.569  -3.187
  217    HA   ILE   2           HA       ILE   2   5.893  -0.666  -2.862
  218    HB   ILE   2           HB       ILE   2   5.196  -0.765  -5.086
  219   HG12  ILE   2          HG12      ILE   2   2.684  -0.602  -3.426
  220   HG13  ILE   2          HG11      ILE   2   3.791   0.721  -3.760
  221   HG21  ILE   2          HG21      ILE   2   4.764  -3.185  -5.173
  222   HG22  ILE   2          HG22      ILE   2   3.511  -2.254  -5.994
  223   HG23  ILE   2          HG23      ILE   2   3.208  -2.917  -4.389
  224   HD11  ILE   2          HD11      ILE   2   1.856   0.935  -5.130
  225   HD12  ILE   2          HD12      ILE   2   2.045  -0.715  -5.723
  226   HD13  ILE   2          HD13      ILE   2   3.234   0.515  -6.149
  227    H    SER   3           HN       SER   3   4.758   0.206  -1.333
  228    HA   SER   3           HA       SER   3   2.450  -1.158  -0.231
  229    HB2  SER   3           HB2      SER   3   4.739  -0.205   1.487
  230    HB3  SER   3           HB1      SER   3   3.199  -0.827   2.076
  231    HG   SER   3           HG       SER   3   4.580  -2.461   0.311
  232    H    DAR   4           HN       DAR   4   1.093   0.144   0.886
  233    HA   DAR   4           HA       DAR   4   1.394   3.001   0.274
  234    HB2  DAR   4           HB1      DAR   4   0.491   1.763   2.871
  235    HB3  DAR   4           HB2      DAR   4   0.161   3.432   2.446
  236    HG2  DAR   4           HG1      DAR   4   2.885   2.199   2.788
  237    HG3  DAR   4           HG2      DAR   4   2.064   3.265   3.929
  238    HD2  DAR   4           HD1      DAR   4   2.026   5.025   2.193
  239    HD3  DAR   4           HD2      DAR   4   2.970   3.968   1.145
  240    HE   DAR   4           HE       DAR   4   4.279   4.256   3.615
  241   HH11  DAR   4          HH21      DAR   4   6.405   6.864   2.585
  242   HH12  DAR   4          HH22      DAR   4   6.123   5.586   3.819
  243   HH21  DAR   4          HH11      DAR   4   4.937   7.124   0.834
  244   HH22  DAR   4          HH12      DAR   4   3.509   6.038   0.690
  245    HA   28J   5           HA       28J   5  -2.851   2.302  -0.523
  246    H22  28J   5           HB       28J   5  -3.165   2.448  -3.100
  247    H23  28J   5          HG21      28J   5  -1.086   3.604  -3.608
  248    H24  28J   5          HG22      28J   5  -1.123   2.025  -4.392
  249    H25  28J   5          HG23      28J   5  -0.160   2.262  -2.934
  250    H26  28J   5          HG11      28J   5  -2.998   0.376  -1.607
  251    H27  28J   5          HG12      28J   5  -1.317   0.276  -2.118
  252    H28  28J   5          HD11      28J   5  -2.744  -1.204  -3.419
  253    H29  28J   5          HD12      28J   5  -2.017   0.043  -4.434
  254    H30  28J   5          HD13      28J   5  -3.705   0.178  -3.942
  255    H    ILE   6           HN       ILE   6  -4.679   3.483  -1.328
  256    HA   ILE   6           HA       ILE   6  -4.145   6.369  -1.580
  257    HB   ILE   6           HB       ILE   6  -4.615   6.370  -3.719
  258   HG12  ILE   6          HG12      ILE   6  -7.356   5.286  -3.049
  259   HG13  ILE   6          HG11      ILE   6  -6.881   6.971  -2.907
  260   HG21  ILE   6          HG21      ILE   6  -5.651   3.533  -3.624
  261   HG22  ILE   6          HG22      ILE   6  -3.961   3.978  -3.828
  262   HG23  ILE   6          HG23      ILE   6  -5.138   4.421  -5.062
  263   HD11  ILE   6          HD11      ILE   6  -6.772   5.462  -5.484
  264   HD12  ILE   6          HD12      ILE   6  -6.705   7.207  -5.227
  265   HD13  ILE   6          HD13      ILE   6  -8.205   6.325  -4.926
  266    H    SER   7           HN       SER   7  -5.179   7.446  -0.025
  267    HA   SER   7           HA       SER   7  -7.996   7.191   0.325
  268    HB2  SER   7           HB2      SER   7  -8.003   6.282   2.583
  269    HB3  SER   7           HB1      SER   7  -7.269   5.141   1.453
  270    HG   SER   7           HG       SER   7  -5.321   6.615   2.282
  271    H    DTH   8           HN       DTC   8  -8.852   8.353   2.150
  272    HA   DTH   8           HA       DTC   8  -7.373  10.752   2.868
  273    HB   DTH   8           HB       DTC   8  -8.004  10.704   5.263
  274   HG21  DTH   8          HG21      DTC   8  -6.449   8.247   4.375
  275   HG22  DTH   8          HG22      DTC   8  -6.437   8.933   6.002
  276   HG23  DTH   8          HG23      DTC   8  -5.793   9.860   4.645
  277    H    ALA   9           HN       ALA   9 -10.373   9.252   2.166
  278    HA   ALA   9           HA       ALA   9 -11.941  11.597   2.669
  279    HB1  ALA   9           HB1      ALA   9 -13.733  10.371   1.596
  280    HB2  ALA   9           HB2      ALA   9 -12.764   8.902   1.628
  281    HB3  ALA   9           HB3      ALA   9 -12.257  10.266   0.640
  282    H    LEU  10           HN       LEU  10 -12.379   8.308   3.239
  283    HA   LEU  10           HA       LEU  10 -14.220   8.628   5.406
  284    HB2  LEU  10           HB2      LEU  10 -12.743   6.129   4.556
  285    HB3  LEU  10           HB1      LEU  10 -14.177   6.205   5.558
  286    HG   LEU  10           HG       LEU  10 -15.399   5.873   3.731
  287   HD11  LEU  10          HD11      LEU  10 -15.567   8.319   3.896
  288   HD12  LEU  10          HD12      LEU  10 -15.819   7.697   2.266
  289   HD13  LEU  10          HD13      LEU  10 -14.286   8.455   2.692
  290   HD21  LEU  10          HD21      LEU  10 -12.756   5.955   2.454
  291   HD22  LEU  10          HD22      LEU  10 -14.106   6.338   1.387
  292   HD23  LEU  10          HD23      LEU  10 -14.077   4.806   2.261
  293    H    ILE  11           HN       ILE  11 -10.842   7.831   5.029
  294    HA   ILE  11           HA       ILE  11 -10.472   8.136   7.955
  295    HB   ILE  11           HB       ILE  11  -9.111   5.926   6.365
  296   HG12  ILE  11          HG12      ILE  11 -11.202   5.636   8.551
  297   HG13  ILE  11          HG11      ILE  11 -11.502   5.359   6.839
  298   HG21  ILE  11          HG21      ILE  11  -9.078   6.434   9.327
  299   HG22  ILE  11          HG22      ILE  11  -7.840   7.021   8.217
  300   HG23  ILE  11          HG23      ILE  11  -8.095   5.287   8.418
  301   HD11  ILE  11          HD11      ILE  11  -9.647   3.777   8.615
  302   HD12  ILE  11          HD12      ILE  11  -9.860   3.514   6.885
  303   HD13  ILE  11          HD13      ILE  11 -11.210   3.256   7.988
  304    H    ZAE   1           HN1      DPH   1  -8.601  15.930   0.605
  305    HA   ZAE   1           HA       DPH   1  -8.383  14.740  -1.477
  306    HB2  ZAE   1           HB1      DPH   1 -10.377  13.227   0.203
  307    HB3  ZAE   1           HB2      DPH   1 -10.614  14.922  -0.207
  308    HD1  ZAE   1           HD1      DPH   1  -9.556  14.924  -3.004
  309    HD2  ZAE   1           HD2      DPH   1 -12.102  12.158  -0.973
  310    HE1  ZAE   1           HE1      DPH   1 -10.564  14.269  -5.160
  311    HE2  ZAE   1           HE2      DPH   1 -13.111  11.500  -3.128
  312    HZ   ZAE   1           HZ       DPH   1 -12.345  12.557  -5.223
  313    H11  ZAE   1          HN11      DPH   1  -8.014  13.338   1.873
  314    H12  ZAE   1          HN12      DPH   1  -9.504  14.271   2.020
  315    H13  ZAE   1          HN13      DPH   1  -7.998  14.899   2.696
  316    HN2  ZAE   1           HN2      DPH   1  -7.102  15.152   0.499
  317    H    ILE   2           HN       ILE   2  -6.395  13.612  -1.633
  318    HA   ILE   2           HA       ILE   2  -6.640  10.747  -1.010
  319    HB   ILE   2           HB       ILE   2  -6.666  11.242  -3.445
  320   HG12  ILE   2          HG12      ILE   2  -4.189   9.826  -2.456
  321   HG13  ILE   2          HG11      ILE   2  -5.769   9.109  -2.733
  322   HG21  ILE   2          HG21      ILE   2  -3.891  12.353  -3.021
  323   HG22  ILE   2          HG22      ILE   2  -5.336  13.291  -3.406
  324   HG23  ILE   2          HG23      ILE   2  -4.705  12.127  -4.569
  325   HD11  ILE   2          HD11      ILE   2  -5.528   9.595  -5.132
  326   HD12  ILE   2          HD12      ILE   2  -4.288   8.511  -4.501
  327   HD13  ILE   2          HD13      ILE   2  -3.901  10.202  -4.813
  328    H    SER   3           HN       SER   3  -4.914   9.727  -0.055
  329    HA   SER   3           HA       SER   3  -2.387  11.107   0.224
  330    HB2  SER   3           HB2      SER   3  -3.823  10.225   2.735
  331    HB3  SER   3           HB1      SER   3  -2.223  10.949   2.640
  332    HG   SER   3           HG       SER   3  -3.926  12.579   1.432
  333    H    DAR   4           HN       DAR   4  -0.753   9.729   1.309
  334    HA   DAR   4           HA       DAR   4  -1.244   6.902   0.664
  335    HB2  DAR   4           HB1      DAR   4   0.541   8.189   2.711
  336    HB3  DAR   4           HB2      DAR   4   0.634   6.484   2.282
  337    HG2  DAR   4           HG1      DAR   4  -1.699   7.937   3.487
  338    HG3  DAR   4           HG2      DAR   4  -0.679   6.722   4.260
  339    HD2  DAR   4           HD1      DAR   4  -1.422   5.154   2.402
  340    HD3  DAR   4           HD2      DAR   4  -2.660   6.358   2.034
  341    HE   DAR   4           HE       DAR   4  -2.790   5.849   4.751
  342   HH11  DAR   4          HH21      DAR   4  -4.927   3.060   4.695
  343   HH12  DAR   4          HH22      DAR   4  -4.197   4.348   5.722
  344   HH21  DAR   4          HH11      DAR   4  -4.406   2.933   2.464
  345   HH22  DAR   4          HH12      DAR   4  -3.343   4.178   1.713
  346    HA   28J   5           HA       28J   5   2.501   7.332  -1.546
  347    H22  28J   5           HB       28J   5   1.806   6.948  -4.124
  348    H23  28J   5          HG21      28J   5  -0.720   7.874  -2.754
  349    H24  28J   5          HG22      28J   5  -0.500   6.333  -3.581
  350    H25  28J   5          HG23      28J   5  -0.451   7.840  -4.495
  351    H26  28J   5          HG11      28J   5   2.767   9.008  -3.030
  352    H27  28J   5          HG12      28J   5   1.125   9.475  -2.604
  353    H28  28J   5          HD11      28J   5   2.041   9.028  -5.428
  354    H29  28J   5          HD12      28J   5   2.032  10.598  -4.626
  355    H30  28J   5          HD13      28J   5   0.519   9.732  -4.887
  356    H    ILE   6           HN       ILE   6   3.649   6.025  -3.341
  357    HA   ILE   6           HA       ILE   6   3.320   3.131  -2.834
  358    HB   ILE   6           HB       ILE   6   2.702   3.199  -5.032
  359   HG12  ILE   6          HG12      ILE   6   5.726   3.222  -5.256
  360   HG13  ILE   6          HG11      ILE   6   4.696   1.812  -5.053
  361   HG21  ILE   6          HG21      ILE   6   3.383   4.846  -6.695
  362   HG22  ILE   6          HG22      ILE   6   4.551   5.533  -5.566
  363   HG23  ILE   6          HG23      ILE   6   2.825   5.651  -5.227
  364   HD11  ILE   6          HD11      ILE   6   5.431   1.905  -7.296
  365   HD12  ILE   6          HD12      ILE   6   4.921   3.587  -7.447
  366   HD13  ILE   6          HD13      ILE   6   3.715   2.313  -7.265
  367    H    SER   7           HN       SER   7   4.974   2.603  -1.456
  368    HA   SER   7           HA       SER   7   7.714   2.752  -2.417
  369    HB2  SER   7           HB2      SER   7   8.473   3.721  -0.151
  370    HB3  SER   7           HB1      SER   7   7.778   4.865  -1.306
  371    HG   SER   7           HG       SER   7   5.857   3.728   0.207
  372    H    DTH   8           HN       DTC   8   9.220   1.658  -0.777
  373    HA   DTH   8           HA       DTC   8   7.830  -0.656   0.439
  374    HB   DTH   8           HB       DTC   8   9.053  -0.568   2.540
  375   HG21  DTH   8          HG21      DTC   8   8.057   2.220   1.858
  376   HG22  DTH   8          HG22      DTC   8   8.285   1.580   3.487
  377   HG23  DTH   8          HG23      DTC   8   7.065   0.879   2.422
  378    H    ALA   9           HN       ALA   9  10.740   0.807  -0.887
  379    HA   ALA   9           HA       ALA   9  11.779  -1.576  -1.931
  380    HB1  ALA   9           HB1      ALA   9  11.585   0.267  -3.395
  381    HB2  ALA   9           HB2      ALA   9  13.235   0.472  -2.878
  382    HB3  ALA   9           HB3      ALA   9  11.972   1.444  -2.145
  383    H    LEU  10           HN       LEU  10  13.529   1.188  -0.768
  384    HA   LEU  10           HA       LEU  10  15.353  -0.323   0.887
  385    HB2  LEU  10           HB2      LEU  10  16.243   2.082   1.230
  386    HB3  LEU  10           HB1      LEU  10  16.385   1.343  -0.349
  387    HG   LEU  10           HG       LEU  10  15.731   3.724  -0.428
  388   HD11  LEU  10          HD11      LEU  10  14.814   3.237  -2.346
  389   HD12  LEU  10          HD12      LEU  10  13.348   2.665  -1.558
  390   HD13  LEU  10          HD13      LEU  10  14.694   1.560  -1.821
  391   HD21  LEU  10          HD21      LEU  10  14.347   3.987   1.520
  392   HD22  LEU  10          HD22      LEU  10  13.208   2.779   0.931
  393   HD23  LEU  10          HD23      LEU  10  13.367   4.319   0.099
  394    H    ILE  11           HN       ILE  11  12.527   1.368   1.301
  395    HA   ILE  11           HA       ILE  11  12.759   1.329   4.248
  396    HB   ILE  11           HB       ILE  11  11.897   3.806   2.711
  397   HG12  ILE  11          HG12      ILE  11  13.780   3.572   5.072
  398   HG13  ILE  11          HG11      ILE  11  14.326   3.560   3.400
  399   HG21  ILE  11          HG21      ILE  11  11.426   3.203   5.635
  400   HG22  ILE  11          HG22      ILE  11  10.187   3.317   4.384
  401   HG23  ILE  11          HG23      ILE  11  11.116   4.745   4.837
  402   HD11  ILE  11          HD11      ILE  11  12.903   5.818   4.809
  403   HD12  ILE  11          HD12      ILE  11  13.353   5.815   3.105
  404   HD13  ILE  11          HD13      ILE  11  14.603   5.763   4.347
  405    H1   ALA   1           HN       ALA   1 -12.172 -11.696   4.342
  406    HA   ALA   1           HA       ALA   1 -12.461 -12.285   7.073
  407    HB1  ALA   1           HB1      ALA   1 -12.799  -9.898   7.370
  408    HB2  ALA   1           HB2      ALA   1 -14.262 -10.813   7.786
  409    HB3  ALA   1           HB3      ALA   1 -14.158  -9.949   6.247
  410    H    DGL   2           HN       DGL   2 -15.553 -11.673   6.968
  411    HA   DGL   2           HA       DGL   2 -17.283 -12.398   5.849
  412    HB2  DGL   2           HB1      DGL   2 -16.696 -15.139   5.201
  413    HB3  DGL   2           HB2      DGL   2 -17.400 -14.637   6.711
  414    HG2  DGL   2           HG1      DGL   2 -15.537 -15.365   7.859
  415    HG3  DGL   2           HG2      DGL   2 -14.448 -14.354   6.907
  416    H    LYS   3           HN       LYS   3 -14.036 -15.320   4.647
  417    HA   LYS   3           HA       LYS   3 -12.936 -16.799   3.514
  418    HB2  LYS   3           HB2      LYS   3 -12.323 -17.461   6.041
  419    HB3  LYS   3           HB1      LYS   3 -12.838 -19.027   5.391
  420    HG2  LYS   3           HG2      LYS   3 -11.190 -17.431   3.540
  421    HG3  LYS   3           HG1      LYS   3 -10.362 -17.845   5.033
  422    HD2  LYS   3           HD2      LYS   3  -9.731 -19.605   3.551
  423    HD3  LYS   3           HD1      LYS   3 -10.955 -20.207   4.618
  424    HE2  LYS   3           HE2      LYS   3 -10.941 -20.764   1.999
  425    HE3  LYS   3           HE1      LYS   3 -12.465 -20.665   3.157
  426    HZ1  LYS   3           HZ1      LYS   3 -12.393 -19.812   0.577
  427    HZ2  LYS   3           HZ2      LYS   3 -12.204 -18.458   1.556
  428    HZ3  LYS   3           HZ3      LYS   3 -13.516 -19.562   1.816
  429    H    DAL   4           HN       DAL   4 -15.292 -16.311   3.008
  430    HA   DAL   4           HA       DAL   4 -17.124 -16.752   1.275
  431    HB1  DAL   4           HB1      DAL   4 -17.923 -19.005   2.866
  432    HB2  DAL   4           HB2      DAL   4 -18.776 -18.269   1.510
  433    HB3  DAL   4           HB3      DAL   4 -18.544 -17.328   3.046
  434    H    DAL   5           HN       DAL   5 -15.589 -16.537  -0.462
  435    HA   DAL   5           HA       DAL   5 -14.267 -17.211  -2.536
  436    HB1  DAL   5           HB1      DAL   5 -15.848 -19.496  -1.531
  437    HB2  DAL   5           HB2      DAL   5 -14.878 -19.678  -2.989
  438    HB3  DAL   5           HB3      DAL   5 -16.268 -18.574  -2.959
  439    H1   ALA   1           HN       ALA   1  12.902 -13.231  -8.222
  440    HA   ALA   1           HA       ALA   1  14.765 -15.297  -8.546
  441    HB1  ALA   1           HB1      ALA   1  14.506 -15.718  -6.168
  442    HB2  ALA   1           HB2      ALA   1  13.861 -17.079  -7.108
  443    HB3  ALA   1           HB3      ALA   1  12.763 -15.904  -6.369
  444    H    DGL   2           HN       DGL   2  13.950 -17.064  -9.838
  445    HA   DGL   2           HA       DGL   2  12.213 -18.159 -10.792
  446    HB2  DGL   2           HB1      DGL   2  11.040 -16.580 -12.585
  447    HB3  DGL   2           HB2      DGL   2  12.776 -16.757 -12.686
  448    HG2  DGL   2           HG1      DGL   2  13.035 -14.434 -12.467
  449    HG3  DGL   2           HG2      DGL   2  12.172 -14.416 -10.930
  450    H    LYS   3           HN       LYS   3   9.678 -14.584 -11.280
  451    HA   LYS   3           HA       LYS   3   7.879 -13.491 -11.802
  452    HB2  LYS   3           HB2      LYS   3   9.918 -11.725 -12.667
  453    HB3  LYS   3           HB1      LYS   3   8.476 -11.512 -13.674
  454    HG2  LYS   3           HG2      LYS   3   8.369 -11.697 -10.656
  455    HG3  LYS   3           HG1      LYS   3   8.586 -10.173 -11.498
  456    HD2  LYS   3           HD2      LYS   3   6.262 -10.150 -11.067
  457    HD3  LYS   3           HD1      LYS   3   6.457 -10.679 -12.706
  458    HE2  LYS   3           HE1      LYS   3   4.658 -11.921 -11.923
  459    HE3  LYS   3           HE2      LYS   3   6.259 -13.005 -12.003
  460    HZ1  LYS   3           HZ1      LYS   3   6.122 -13.247  -9.651
  461    HZ2  LYS   3           HZ2      LYS   3   4.825 -13.997 -10.484
  462    HZ3  LYS   3           HZ3      LYS   3   4.616 -12.491  -9.742
  463    H    DAL   4           HN       DAL   4   7.849 -15.676 -12.491
  464    HA   DAL   4           HA       DAL   4   6.929 -17.596 -13.979
  465    HB1  DAL   4           HB1      DAL   4   6.878 -15.962 -16.338
  466    HB2  DAL   4           HB2      DAL   4   6.428 -17.658 -16.171
  467    HB3  DAL   4           HB3      DAL   4   8.156 -17.154 -15.919
  468    H    DAL   5           HN       DAL   5   5.362 -17.828 -12.289
  469    HA   DAL   5           HA       DAL   5   3.106 -17.788 -11.077
  470    HB1  DAL   5           HB1      DAL   5   2.843 -16.733 -13.827
  471    HB2  DAL   5           HB2      DAL   5   1.421 -16.836 -12.795
  472    HB3  DAL   5           HB3      DAL   5   2.265 -18.306 -13.323
  473    H1   ALA   1           HN       ALA   1 -19.093   9.336  -3.560
  474    HA   ALA   1           HA       ALA   1 -21.363  10.977  -3.744
  475    HB1  ALA   1           HB1      ALA   1 -20.090  12.599  -2.442
  476    HB2  ALA   1           HB2      ALA   1 -20.411  13.211  -4.078
  477    HB3  ALA   1           HB3      ALA   1 -18.810  12.586  -3.657
  478    H    DGL   2           HN       DGL   2 -21.744  11.775  -5.923
  479    HA   DGL   2           HA       DGL   2 -21.007  12.100  -8.041
  480    HB2  DGL   2           HB1      DGL   2 -20.549   9.730  -9.182
  481    HB3  DGL   2           HB2      DGL   2 -22.103   9.973  -8.421
  482    HG2  DGL   2           HG1      DGL   2 -21.707   8.043  -7.142
  483    HG3  DGL   2           HG2      DGL   2 -20.364   8.846  -6.330
  484    H    LYS   3           HN       LYS   3 -18.233   8.461  -7.173
  485    HA   LYS   3           HA       LYS   3 -16.579   7.227  -7.816
  486    HB2  LYS   3           HB2      LYS   3 -18.372   5.472  -6.907
  487    HB3  LYS   3           HB1      LYS   3 -17.984   4.758  -8.480
  488    HG2  LYS   3           HG2      LYS   3 -16.150   5.389  -6.184
  489    HG3  LYS   3           HG1      LYS   3 -16.362   3.869  -7.039
  490    HD2  LYS   3           HD2      LYS   3 -14.511   4.312  -8.279
  491    HD3  LYS   3           HD1      LYS   3 -15.437   5.611  -8.955
  492    HE2  LYS   3           HE1      LYS   3 -14.407   6.747  -6.588
  493    HE3  LYS   3           HE2      LYS   3 -13.064   5.874  -7.588
  494    HZ1  LYS   3           HZ1      LYS   3 -12.601   7.869  -8.430
  495    HZ2  LYS   3           HZ2      LYS   3 -14.103   8.495  -7.892
  496    HZ3  LYS   3           HZ3      LYS   3 -14.014   7.590  -9.313
  497    H    DAL   4           HN       DAL   4 -17.863   8.905  -9.453
  498    HA   DAL   4           HA       DAL   4 -18.061   9.657 -12.007
  499    HB1  DAL   4           HB1      DAL   4 -17.287   8.856 -13.825
  500    HB2  DAL   4           HB2      DAL   4 -18.257   7.614 -13.038
  501    HB3  DAL   4           HB3      DAL   4 -16.447   7.455 -13.077
  502    H    DAL   5           HN       DAL   5 -17.198  10.756  -9.530
  503    HA   DAL   5           HA       DAL   5 -15.725  12.577  -8.512
  504    HB1  DAL   5           HB1      DAL   5 -15.986  13.400 -10.747
  505    HB2  DAL   5           HB2      DAL   5 -14.865  12.229 -11.428
  506    HB3  DAL   5           HB3      DAL   5 -14.273  13.579 -10.437
  507    H1   ALA   1           HN       ALA   1  15.226   9.680  -2.022
  508    HA   ALA   1           HA       ALA   1  15.983  12.333  -1.529
  509    HB1  ALA   1           HB1      ALA   1  14.448  12.236   0.372
  510    HB2  ALA   1           HB2      ALA   1  16.129  12.417   0.918
  511    HB3  ALA   1           HB3      ALA   1  15.322  10.845   1.016
  512    H    DGL   2           HN       DGL   2  18.213  12.525  -0.893
  513    HA   DGL   2           HA       DGL   2  20.082  11.577  -0.068
  514    HB2  DGL   2           HB1      DGL   2  20.925   9.686  -1.849
  515    HB3  DGL   2           HB2      DGL   2  20.777  11.349  -2.363
  516    HG2  DGL   2           HG1      DGL   2  19.107  10.798  -3.932
  517    HG3  DGL   2           HG2      DGL   2  18.189   9.818  -2.788
  518    H    LYS   3           HN       LYS   3  20.042   7.818  -2.220
  519    HA   LYS   3           HA       LYS   3  20.623   5.831  -2.859
  520    HB2  LYS   3           HB2      LYS   3  18.644   5.436  -3.880
  521    HB3  LYS   3           HB1      LYS   3  18.981   6.512  -5.249
  522    HG2  LYS   3           HG2      LYS   3  20.988   4.400  -4.938
  523    HG3  LYS   3           HG1      LYS   3  19.369   3.749  -5.146
  524    HD2  LYS   3           HD2      LYS   3  19.175   5.143  -7.305
  525    HD3  LYS   3           HD1      LYS   3  20.830   5.563  -7.014
  526    HE2  LYS   3           HE1      LYS   3  20.012   2.713  -7.512
  527    HE3  LYS   3           HE2      LYS   3  20.744   3.963  -8.737
  528    HZ1  LYS   3           HZ1      LYS   3  22.116   1.970  -7.191
  529    HZ2  LYS   3           HZ2      LYS   3  22.790   3.539  -7.036
  530    HZ3  LYS   3           HZ3      LYS   3  22.523   2.869  -8.566
  531    H    DAL   4           HN       DAL   4  22.400   5.360  -2.719
  532    HA   DAL   4           HA       DAL   4  24.981   5.127  -2.908
  533    HB1  DAL   4           HB1      DAL   4  25.411   7.273  -3.399
  534    HB2  DAL   4           HB2      DAL   4  25.180   6.975  -5.122
  535    HB3  DAL   4           HB3      DAL   4  26.515   6.123  -4.229
  536    H    DAL   5           HN       DAL   5  24.323   2.859  -2.799
  537    HA   DAL   5           HA       DAL   5  24.042   0.430  -3.559
  538    HB1  DAL   5           HB1      DAL   5  25.402   2.060  -5.616
  539    HB2  DAL   5           HB2      DAL   5  25.144   0.342  -5.899
  540    HB3  DAL   5           HB3      DAL   5  26.215   0.895  -4.595
  541    H12  P1W 103           H12      TPL  10 -10.963  -1.609  -1.590
  542    H11  P1W 103           H11      TPL  10 -12.253  -2.473  -2.435
  543    H2   P1W 103           H2       TPL  10 -10.881  -0.494  -3.702
  544    H43  P1W 103           H42      TPL  10 -10.677  -1.796  -7.012
  545    H42  P1W 103           H41      TPL  10 -10.742  -0.357  -6.001
  546    H51  P1W 103           H51      TPL  10 -11.430  -3.756  -6.138
  547    H52  P1W 103           H52      TPL  10 -11.624  -4.017  -4.404
  548    H53  P1W 103           H53      TPL  10 -10.031  -4.180  -5.146
  549    H12  P1W 104           H12      TPL  11  -8.397  -0.829  -5.288
  550    H11  P1W 104           H11      TPL  11  -8.335  -2.078  -6.533
  551    H2   P1W 104           H2       TPL  11  -9.346   0.164  -7.895
  552    H43  P1W 104           H42      TPL  11  -6.114   1.837  -8.437
  553    H42  P1W 104           H41      TPL  11  -7.685   1.531  -9.180
  554    H51  P1W 104           H51      TPL  11  -6.054  -0.439  -6.079
  555    H52  P1W 104           H52      TPL  11  -6.757   0.927  -5.215
  556    H53  P1W 104           H53      TPL  11  -5.515   1.199  -6.437
  557    H12  P1W 105           H12      TPL  11   5.413  -7.978  -7.120
  558    H11  P1W 105           H11      TPL  11   6.131  -8.219  -8.715
  559    H2   P1W 105           H2       TPL  11   5.526 -10.826  -7.618
  560    H43  P1W 105           H42      TPL  11   2.068 -10.913  -8.991
  561    H42  P1W 105           H41      TPL  11   3.529 -11.897  -8.881
  562    H51  P1W 105           H51      TPL  11   3.658  -7.791  -8.649
  563    H52  P1W 105           H52      TPL  11   2.436  -8.357  -7.509
  564    H53  P1W 105           H53      TPL  11   2.272  -8.712  -9.231
  565    H12  P1W 106           H12      TPL  12  -8.732   3.071  -7.552
  566    H11  P1W 106           H11      TPL  12  -7.149   3.406  -6.858
  567    H2   P1W 106           H2       TPL  12  -6.655   3.997  -9.491
  568    H43  P1W 106           H43      TPL  12  -8.384   7.331  -9.740
  569    H41  P1W 106           H41      TPL  12  -8.158   6.055 -10.943
  570    H42  P1W 106           H42      TPL  12  -6.788   6.621  -9.987
  571    H51  P1W 106           H51      TPL  12  -9.333   6.784  -7.842
  572    H52  P1W 106           H52      TPL  12  -9.174   5.225  -7.038
  573    H53  P1W 106           H53      TPL  12 -10.247   5.389  -8.429
  574    H12  P1W 107           H12      TPL  12   3.342 -12.035  -6.491
  575    H11  P1W 107           H11      TPL  12   2.040 -10.848  -6.462
  576    H2   P1W 107           H2       TPL  12   0.451 -12.414  -7.254
  577    H43  P1W 107           H43      TPL  12   0.534 -15.681  -6.372
  578    H41  P1W 107           H41      TPL  12   0.956 -15.845  -8.080
  579    H42  P1W 107           H42      TPL  12  -0.273 -14.682  -7.581
  580    H51  P1W 107           H51      TPL  12   3.124 -15.699  -7.038
  581    H52  P1W 107           H52      TPL  12   3.480 -14.367  -5.940
  582    H53  P1W 107           H53      TPL  12   3.826 -14.202  -7.662
  583    H12  P1W 103           H12      TPL  10   9.015  -5.671  -4.684
  584    H11  P1W 103           H11      TPL  10   7.888  -6.648  -3.742
  585    H2   P1W 103           H2       TPL  10   8.772  -7.052  -6.563
  586    H43  P1W 103           H42      TPL  10   8.055  -8.826  -7.755
  587    H42  P1W 103           H41      TPL  10   7.227 -10.142  -6.928
  588    H51  P1W 103           H51      TPL  10   6.603  -9.850  -4.418
  589    H52  P1W 103           H52      TPL  10   5.432  -8.676  -5.009
  590    H53  P1W 103           H53      TPL  10   6.606  -8.200  -3.784
  591    H12  P1W 103           H12      TPL  10  -9.184   4.835  -0.646
  592    H11  P1W 103           H11      TPL  10  -9.821   6.403  -1.146
  593    H2   P1W 103           H2       TPL  10 -11.984   4.431  -0.799
  594    H43  P1W 103           H42      TPL  10 -12.156   2.545  -3.405
  595    H42  P1W 103           H41      TPL  10 -13.146   3.686  -2.496
  596    H51  P1W 103           H51      TPL  10 -10.124   3.832  -4.522
  597    H52  P1W 103           H52      TPL  10  -9.127   3.545  -3.097
  598    H53  P1W 103           H53      TPL  10  -9.451   5.196  -3.623
  599    H12  P1W 103           H12      TPL  10  12.100   1.774  -4.593
  600    H11  P1W 103           H11      TPL  10  12.777   3.257  -5.278
  601    H2   P1W 103           H2       TPL  10  10.192   3.573  -6.099
  602    H43  P1W 103           H42      TPL  10   9.682   3.008  -8.549
  603    H42  P1W 103           H41      TPL  10  10.382   1.526  -9.195
  604    H51  P1W 103           H51      TPL  10  12.120   0.220  -7.621
  605    H52  P1W 103           H52      TPL  10  13.078   1.475  -6.834
  606    H53  P1W 103           H53      TPL  10  12.684   1.611  -8.551
  607    H12  P1W 104           H12      TPL  11 -13.456   5.072  -4.264
  608    H11  P1W 104           H11      TPL  11 -11.906   4.659  -5.010
  609    H2   P1W 104           H2       TPL  11 -14.509   3.112  -5.155
  610    H43  P1W 104           H42      TPL  11 -14.650   1.559  -6.943
  611    H42  P1W 104           H41      TPL  11 -13.910   2.272  -8.381
  612    H51  P1W 104           H51      TPL  11 -11.521   4.309  -6.999
  613    H52  P1W 104           H52      TPL  11 -11.548   2.958  -8.131
  614    H53  P1W 104           H53      TPL  11 -10.833   2.757  -6.529
  615    H12  P1W 105           H12      TPL  11   9.000   0.184  -7.701
  616    H11  P1W 105           H11      TPL  11   8.346   1.640  -6.958
  617    H2   P1W 105           H2       TPL  11   7.787   2.011  -9.685
  618    H43  P1W 105           H42      TPL  11   4.902  -0.350  -9.982
  619    H42  P1W 105           H41      TPL  11   5.206   1.383 -10.142
  620    H51  P1W 105           H51      TPL  11   6.068  -1.694  -8.786
  621    H52  P1W 105           H52      TPL  11   6.119  -0.733  -7.308
  622    H53  P1W 105           H53      TPL  11   7.617  -1.325  -8.032
  623    H12  P1W 106           H12      TPL  12 -11.886   0.847  -7.946
  624    H11  P1W 106           H11      TPL  12 -12.787   0.043  -6.661
  625    H2   P1W 106           H2       TPL  12 -13.488   0.023  -9.626
  626    H43  P1W 106           H43      TPL  12 -14.045  -3.243  -9.654
  627    H41  P1W 106           H41      TPL  12 -14.897  -1.839 -10.307
  628    H42  P1W 106           H42      TPL  12 -15.645  -2.819  -9.045
  629    H51  P1W 106           H51      TPL  12 -14.447  -1.342  -6.243
  630    H52  P1W 106           H52      TPL  12 -13.158  -2.470  -6.652
  631    H53  P1W 106           H53      TPL  12 -14.842  -2.935  -6.900
  632    H12  P1W 107           H12      TPL  12   6.760   1.080 -11.872
  633    H11  P1W 107           H11      TPL  12   7.015  -0.617 -11.477
  634    H2   P1W 107           H2       TPL  12   4.742  -1.164 -12.337
  635    H43  P1W 107           H43      TPL  12   3.192   0.765 -14.882
  636    H41  P1W 107           H41      TPL  12   3.366  -0.893 -14.292
  637    H42  P1W 107           H42      TPL  12   4.371  -0.317 -15.623
  638    H51  P1W 107           H51      TPL  12   5.139   2.559 -13.717
  639    H52  P1W 107           H52      TPL  12   5.706   1.763 -15.182
  640    H53  P1W 107           H53      TPL  12   6.690   1.710 -13.719
  641    H1   MUB 101           H1       NAM   6 -12.906  -7.539   2.368
  642    H2   MUB 101           H2       NAM   6 -10.776  -7.984   2.803
  643    HN2  MUB 101           HN2      NAM   6  -9.323  -7.645   1.040
  644    H81  MUB 101           H81      NAM   6  -8.917  -8.020  -1.529
  645    H82  MUB 101           H82      NAM   6  -8.841  -9.751  -1.838
  646    H83  MUB 101           H83      NAM   6  -7.833  -9.069  -0.569
  647    H3   MUB 101           H3       NAM   6 -11.134 -10.690   1.248
  648    H9   MUB 101           H9       NAM   6 -11.102  -9.404   4.053
  649   H111  MUB 101          H111      NAM   6  -8.030  -9.308   4.336
  650   H112  MUB 101          H112      NAM   6  -9.126  -8.483   5.408
  651   H113  MUB 101          H113      NAM   6  -9.236  -8.080   3.738
  652    H4A  MUB 101           H4       NAM   6 -12.812 -10.244   3.725
  653    H5   MUB 101           H5       NAM   6 -14.165 -10.721   1.091
  654    H61  MUB 101           H61      NAM   6 -15.731 -10.107   2.403
  655    H62  MUB 101           H62      NAM   6 -15.400  -8.425   1.927
  656    HO6  MUB 101           HO6      NAM   6 -15.037  -9.880   4.349
  657    H1   NAG 102           H1       NAG   7 -11.271 -12.444   1.696
  658    H2   NAG 102           H2       NAG   7 -13.612 -14.447   2.387
  659    H3   NAG 102           H3       NAG   7 -10.935 -14.910   0.829
  660    H4   NAG 102           H4       NAG   7 -13.678 -14.995  -0.377
  661    H5   NAG 102           H5       NAG   7 -11.480 -12.698  -0.710
  662    H61  NAG 102           H61      NAG   7 -14.302 -12.789  -1.790
  663    H62  NAG 102           H62      NAG   7 -12.801 -12.970  -2.678
  664    H81  NAG 102           H81      NAG   7  -8.922 -14.325   4.851
  665    H82  NAG 102           H82      NAG   7 -10.020 -15.692   4.989
  666    H83  NAG 102           H83      NAG   7 -10.511 -14.135   5.648
  667    HN2  NAG 102           HN2      NAG   7 -12.444 -14.802   4.075
  668    HO3  NAG 102           HO3      NAG   7 -12.264 -16.813   0.373
  669    HO4  NAG 102           HO4      NAG   7 -12.074 -16.132  -1.333
  670    HO6  NAG 102           HO6      NAG   7 -12.696 -10.786  -1.127
  671    H1   MUB 101           H1       NAM   6   9.944 -11.965  -5.338
  672    H2   MUB 101           H2       NAM   6  11.944 -10.993  -5.050
  673    HN2  MUB 101           HN2      NAM   6  11.954  -8.768  -4.670
  674    H81  MUB 101           H81      NAM   6  12.864  -6.638  -5.764
  675    H82  MUB 101           H82      NAM   6  11.131  -6.381  -5.598
  676    H83  MUB 101           H83      NAM   6  11.874  -6.174  -7.179
  677    H3   MUB 101           H3       NAM   6  11.687  -9.959  -7.997
  678    H9   MUB 101           H9       NAM   6  12.980 -12.135  -6.205
  679   H111  MUB 101          H111      NAM   6  15.137 -10.187  -5.194
  680   H112  MUB 101          H112      NAM   6  14.883 -11.757  -4.483
  681   H113  MUB 101          H113      NAM   6  13.528 -10.697  -4.510
  682    H4A  MUB 101           H4       NAM   6  11.759 -12.944  -7.449
  683    H5   MUB 101           H5       NAM   6   9.371 -11.793  -8.858
  684    H61  MUB 101           H61      NAM   6   9.514 -14.045  -8.075
  685    H62  MUB 101           H62      NAM   6   8.018 -13.297  -7.415
  686    HO6  MUB 101           HO6      NAM   6   9.952 -14.557  -6.078
  687    H1   NAG 102           H1       NAG   7  12.888 -10.571  -9.408
  688    H2   NAG 102           H2       NAG   7  11.901 -12.127 -11.963
  689    H3   NAG 102           H3       NAG   7  13.640  -9.554 -11.732
  690    H4   NAG 102           H4       NAG   7  10.836  -9.669 -12.794
  691    H5   NAG 102           H5       NAG   7  11.828  -8.441 -10.014
  692    H61  NAG 102           H61      NAG   7   9.073  -8.502 -11.226
  693    H62  NAG 102           H62      NAG   7  10.076  -7.150 -10.731
  694    H81  NAG 102           H81      NAG   7  16.808 -12.314 -10.043
  695    H82  NAG 102           H82      NAG   7  16.406 -12.883 -11.658
  696    H83  NAG 102           H83      NAG   7  15.730 -13.723 -10.266
  697    HN2  NAG 102           HN2      NAG   7  13.666 -13.140 -11.673
  698    HO3  NAG 102           HO3      NAG   7  12.317 -10.969 -13.803
  699    HO4  NAG 102           HO4      NAG   7  12.349  -8.089 -13.435
  700    HO6  NAG 102           HO6      NAG   7   9.958  -8.432  -8.615
  701    H1   MUB 101           H1       NAM   6 -14.589   8.666  -2.460
  702    H2   MUB 101           H2       NAM   6 -16.088   8.673  -0.838
  703    HN2  MUB 101           HN2      NAM   6 -15.872   7.074   0.728
  704    H81  MUB 101           H81      NAM   6 -17.169   3.717   0.591
  705    H82  MUB 101           H82      NAM   6 -17.025   5.077   1.697
  706    H83  MUB 101           H83      NAM   6 -15.560   4.351   1.048
  707    H3   MUB 101           H3       NAM   6 -17.535   6.328  -2.360
  708    H9   MUB 101           H9       NAM   6 -17.955   9.360  -1.757
  709   H111  MUB 101          H111      NAM   6 -18.108   8.545   1.119
  710   H112  MUB 101          H112      NAM   6 -18.504  10.212   0.798
  711   H113  MUB 101          H113      NAM   6 -16.986   9.664   0.212
  712    H4A  MUB 101           H4       NAM   6 -17.581   9.175  -3.453
  713    H5   MUB 101           H5       NAM   6 -16.322   7.088  -5.153
  714    H61  MUB 101           H61      NAM   6 -16.012   9.404  -5.501
  715    H62  MUB 101           H62      NAM   6 -14.379   8.670  -5.356
  716    HO6  MUB 101           HO6      NAM   6 -14.832  10.696  -4.044
  717    H1   NAG 102           H1       NAG   7 -19.350   6.457  -2.992
  718    H2   NAG 102           H2       NAG   7 -20.224   6.432  -6.016
  719    H3   NAG 102           H3       NAG   7 -21.201   4.681  -3.629
  720    H4   NAG 102           H4       NAG   7 -19.584   3.705  -5.961
  721    H5   NAG 102           H5       NAG   7 -18.616   4.120  -2.942
  722    H61  NAG 102           H61      NAG   7 -16.959   3.235  -5.307
  723    H62  NAG 102           H62      NAG   7 -17.585   2.239  -4.001
  724    H81  NAG 102           H81      NAG   7 -23.779   8.136  -3.693
  725    H82  NAG 102           H82      NAG   7 -22.532   9.363  -3.519
  726    H83  NAG 102           H83      NAG   7 -23.080   8.497  -2.088
  727    HN2  NAG 102           HN2      NAG   7 -21.568   7.832  -5.322
  728    HO3  NAG 102           HO3      NAG   7 -21.504   4.650  -6.448
  729    HO4  NAG 102           HO4      NAG   7 -20.995   2.361  -4.772
  730    HO6  NAG 102           HO6      NAG   7 -16.475   4.119  -2.756
  731    H1   MUB 101           H1       NAM   6  13.401   5.725  -0.954
  732    H2   MUB 101           H2       NAM   6  12.022   7.313  -1.626
  733    HN2  MUB 101           HN2      NAM   6  10.386   6.589  -3.051
  734    H81  MUB 101           H81      NAM   6   9.595   7.008  -5.449
  735    H82  MUB 101           H82      NAM   6   9.888   5.280  -5.307
  736    H83  MUB 101           H83      NAM   6  10.659   6.166  -6.615
  737    H3   MUB 101           H3       NAM   6  13.674   7.369  -4.302
  738    H9   MUB 101           H9       NAM   6  13.246   9.088  -1.733
  739   H111  MUB 101          H111      NAM   6  10.414   9.563  -2.647
  740   H112  MUB 101          H112      NAM   6  10.931  10.421  -1.222
  741   H113  MUB 101          H113      NAM   6  11.120   8.714  -1.195
  742    H4A  MUB 101           H4       NAM   6  14.831   8.373  -1.653
  743    H5   MUB 101           H5       NAM   6  16.244   6.201  -3.124
  744    H61  MUB 101           H61      NAM   6  16.606   6.907  -0.834
  745    H62  MUB 101           H62      NAM   6  16.511   5.128  -0.900
  746    HO6  MUB 101           HO6      NAM   6  15.135   6.796   0.673
  747    H1   NAG 102           H1       NAG   7  14.807   8.756  -5.017
  748    H2   NAG 102           H2       NAG   7  17.894   9.282  -4.707
  749    H3   NAG 102           H3       NAG   7  16.082   9.563  -7.255
  750    H4   NAG 102           H4       NAG   7  18.255   7.520  -6.886
  751    H5   NAG 102           H5       NAG   7  15.101   7.064  -6.735
  752    H61  NAG 102           H61      NAG   7  17.315   5.062  -6.328
  753    H62  NAG 102           H62      NAG   7  16.174   5.185  -7.653
  754    H81  NAG 102           H81      NAG   7  15.965  13.417  -5.255
  755    H82  NAG 102           H82      NAG   7  15.417  12.929  -3.658
  756    H83  NAG 102           H83      NAG   7  14.230  13.115  -4.944
  757    HN2  NAG 102           HN2      NAG   7  17.324  11.265  -4.399
  758    HO3  NAG 102           HO3      NAG   7  18.863   9.674  -6.696
  759    HO4  NAG 102           HO4      NAG   7  17.464   8.266  -8.918
  760    HO6  NAG 102           HO6      NAG   7  15.352   5.097  -4.937
  Start of MODEL   25
    1    H    ZAE   1           HN1      DPH   1   9.133 -17.017   2.177
    2    HA   ZAE   1           HA       DPH   1   8.331 -16.642  -0.014
    3    HB2  ZAE   1           HB1      DPH   1  10.379 -14.473   0.291
    4    HB3  ZAE   1           HB2      DPH   1  10.817 -16.144   0.625
    5    HD1  ZAE   1           HD1      DPH   1   9.063 -17.444  -1.480
    6    HD2  ZAE   1           HD2      DPH   1  11.704 -14.104  -1.650
    7    HE1  ZAE   1           HE1      DPH   1   9.434 -17.859  -3.879
    8    HE2  ZAE   1           HE2      DPH   1  12.074 -14.515  -4.049
    9    HZ   ZAE   1           HZ       DPH   1  10.941 -16.396  -5.165
   10    H11  ZAE   1          HN11      DPH   1   8.866 -14.113   2.566
   11    H12  ZAE   1          HN12      DPH   1  10.343 -15.075   2.649
   12    H13  ZAE   1          HN13      DPH   1   9.089 -15.279   3.873
   13    HN2  ZAE   1           HN2      DPH   1   7.634 -16.237   2.279
   14    H    ILE   2           HN       ILE   2   6.456 -15.775  -0.618
   15    HA   ILE   2           HA       ILE   2   6.378 -12.919  -1.061
   16    HB   ILE   2           HB       ILE   2   4.785 -15.269  -2.017
   17   HG12  ILE   2          HG12      ILE   2   5.003 -13.930  -4.185
   18   HG13  ILE   2          HG11      ILE   2   6.089 -12.876  -3.285
   19   HG21  ILE   2          HG21      ILE   2   3.044 -13.797  -2.966
   20   HG22  ILE   2          HG22      ILE   2   3.708 -12.454  -2.035
   21   HG23  ILE   2          HG23      ILE   2   3.017 -13.846  -1.203
   22   HD11  ILE   2          HD11      ILE   2   6.471 -15.817  -3.795
   23   HD12  ILE   2          HD12      ILE   2   7.535 -14.819  -2.803
   24   HD13  ILE   2          HD13      ILE   2   7.368 -14.486  -4.524
   25    H    SER   3           HN       SER   3   5.364 -11.518   0.218
   26    HA   SER   3           HA       SER   3   3.129 -12.376   1.872
   27    HB2  SER   3           HB2      SER   3   5.511 -10.947   3.040
   28    HB3  SER   3           HB1      SER   3   4.009 -11.319   3.885
   29    HG   SER   3           HG       SER   3   4.881 -13.576   2.858
   30    H    DAR   4           HN       DAR   4   2.002 -10.582   2.857
   31    HA   DAR   4           HA       DAR   4   2.076  -8.246   1.080
   32    HB2  DAR   4           HB1      DAR   4   1.983  -8.416   4.053
   33    HB3  DAR   4           HB2      DAR   4   1.146  -7.091   3.247
   34    HG2  DAR   4           HG1      DAR   4   3.274  -6.553   2.080
   35    HG3  DAR   4           HG2      DAR   4   4.068  -7.768   3.091
   36    HD2  DAR   4           HD1      DAR   4   3.252  -6.561   5.085
   37    HD3  DAR   4           HD2      DAR   4   2.601  -5.310   4.031
   38    HE   DAR   4           HE       DAR   4   5.439  -5.892   3.795
   39   HH11  DAR   4          HH21      DAR   4   6.181  -2.706   5.152
   40   HH12  DAR   4          HH22      DAR   4   6.877  -4.167   4.365
   41   HH21  DAR   4          HH11      DAR   4   3.921  -2.512   5.433
   42   HH22  DAR   4          HH12      DAR   4   2.828  -3.835   4.884
   43    HA   28J   5           HA       28J   5  -2.249  -8.741   1.514
   44    H22  28J   5           HB       28J   5  -3.209  -8.890  -0.914
   45    H23  28J   5          HG21      28J   5  -1.531  -9.443  -2.612
   46    H24  28J   5          HG22      28J   5  -0.242  -9.049  -1.475
   47    H25  28J   5          HG23      28J   5  -1.342  -7.788  -2.034
   48    H26  28J   5          HG11      28J   5  -1.153 -10.849   0.153
   49    H27  28J   5          HG12      28J   5  -2.241 -11.193  -1.188
   50    H28  28J   5          HD11      28J   5  -3.121 -12.179   0.808
   51    H29  28J   5          HD12      28J   5  -4.161 -10.840   0.327
   52    H30  28J   5          HD13      28J   5  -3.027 -10.638   1.662
   53    H    ILE   6           HN       ILE   6  -4.249  -7.662   0.965
   54    HA   ILE   6           HA       ILE   6  -3.873  -4.769   0.620
   55    HB   ILE   6           HB       ILE   6  -4.563  -5.320  -1.482
   56   HG12  ILE   6          HG12      ILE   6  -6.913  -4.570   0.220
   57   HG13  ILE   6          HG11      ILE   6  -6.018  -3.602  -0.958
   58   HG21  ILE   6          HG21      ILE   6  -6.451  -7.411  -0.377
   59   HG22  ILE   6          HG22      ILE   6  -4.927  -7.705  -1.217
   60   HG23  ILE   6          HG23      ILE   6  -6.287  -6.991  -2.081
   61   HD11  ILE   6          HD11      ILE   6  -7.856  -5.879  -1.587
   62   HD12  ILE   6          HD12      ILE   6  -6.962  -4.902  -2.752
   63   HD13  ILE   6          HD13      ILE   6  -8.218  -4.163  -1.760
   64    H    SER   7           HN       SER   7  -5.278  -3.351   1.814
   65    HA   SER   7           HA       SER   7  -7.606  -4.550   3.119
   66    HB2  SER   7           HB2      SER   7  -5.502  -3.167   4.784
   67    HB3  SER   7           HB1      SER   7  -7.044  -3.792   5.354
   68    HG   SER   7           HG       SER   7  -6.132  -5.855   4.357
   69    H    DTH   8           HN       DTC   8  -8.851  -2.955   4.401
   70    HA   DTH   8           HA       DTC   8  -8.813  -0.336   3.038
   71    HB   DTH   8           HB       DTC   8  -9.849   0.694   5.010
   72   HG21  DTH   8          HG21      DTC   8  -7.471  -1.056   5.713
   73   HG22  DTH   8          HG22      DTC   8  -7.949   0.424   6.547
   74   HG23  DTH   8          HG23      DTC   8  -7.392   0.493   4.875
   75    H    ALA   9           HN       ALA   9 -10.542  -3.201   3.666
   76    HA   ALA   9           HA       ALA   9 -12.826  -2.354   2.141
   77    HB1  ALA   9           HB1      ALA   9 -13.592  -4.701   2.594
   78    HB2  ALA   9           HB2      ALA   9 -12.150  -4.935   3.583
   79    HB3  ALA   9           HB3      ALA   9 -11.993  -4.613   1.856
   80    H    LEU  10           HN       LEU  10 -12.525  -3.983   5.224
   81    HA   LEU  10           HA       LEU  10 -14.982  -2.823   6.244
   82    HB2  LEU  10           HB2      LEU  10 -13.076  -4.687   7.633
   83    HB3  LEU  10           HB1      LEU  10 -14.759  -4.401   8.029
   84    HG   LEU  10           HG       LEU  10 -15.056  -6.349   6.915
   85   HD11  LEU  10          HD11      LEU  10 -16.212  -4.728   5.582
   86   HD12  LEU  10          HD12      LEU  10 -15.541  -5.980   4.536
   87   HD13  LEU  10          HD13      LEU  10 -14.754  -4.406   4.642
   88   HD21  LEU  10          HD21      LEU  10 -12.643  -6.758   6.638
   89   HD22  LEU  10          HD22      LEU  10 -12.656  -5.752   5.189
   90   HD23  LEU  10          HD23      LEU  10 -13.574  -7.254   5.226
   91    H    ILE  11           HN       ILE  11 -11.562  -2.867   6.888
   92    HA   ILE  11           HA       ILE  11 -11.957  -0.635   8.773
   93    HB   ILE  11           HB       ILE  11  -9.625  -2.560   8.636
   94   HG12  ILE  11          HG12      ILE  11 -11.765  -2.335  10.763
   95   HG13  ILE  11          HG11      ILE  11 -11.823  -3.512   9.455
   96   HG21  ILE  11          HG21      ILE  11 -10.292  -0.358  10.585
   97   HG22  ILE  11          HG22      ILE  11  -8.977  -0.353   9.411
   98   HG23  ILE  11          HG23      ILE  11  -8.957  -1.497  10.755
   99   HD11  ILE  11          HD11      ILE  11  -9.737  -3.318  11.611
  100   HD12  ILE  11          HD12      ILE  11  -9.689  -4.450  10.259
  101   HD13  ILE  11          HD13      ILE  11 -10.988  -4.549  11.449
  102    H    ZAE   1           HN1      DPH   1  -8.459   4.991   3.184
  103    HA   ZAE   1           HA       DPH   1  -9.156   3.922   1.179
  104    HB2  ZAE   1           HB1      DPH   1  -9.738   1.870   3.247
  105    HB3  ZAE   1           HB2      DPH   1 -10.307   3.513   3.510
  106    HD1  ZAE   1           HD1      DPH   1 -10.034   1.944   0.190
  107    HD2  ZAE   1           HD2      DPH   1 -12.646   3.064   3.372
  108    HE1  ZAE   1           HE1      DPH   1 -11.967   1.602  -1.291
  109    HE2  ZAE   1           HE2      DPH   1 -14.593   2.716   1.898
  110    HZ   ZAE   1           HZ       DPH   1 -14.252   1.992  -0.442
  111    H11  ZAE   1          HN11      DPH   1  -7.185   2.430   3.801
  112    H12  ZAE   1          HN12      DPH   1  -8.436   3.268   4.725
  113    H13  ZAE   1          HN13      DPH   1  -6.809   3.944   4.614
  114    HN2  ZAE   1           HN2      DPH   1  -7.096   4.441   2.351
  115    H    ILE   2           HN       ILE   2  -7.350   3.238  -0.060
  116    HA   ILE   2           HA       ILE   2  -7.162   0.323   0.286
  117    HB   ILE   2           HB       ILE   2  -7.009   1.977  -2.220
  118   HG12  ILE   2          HG12      ILE   2  -9.200   1.169  -1.701
  119   HG13  ILE   2          HG11      ILE   2  -8.576   0.280  -3.089
  120   HG21  ILE   2          HG21      ILE   2  -6.012  -0.842  -1.993
  121   HG22  ILE   2          HG22      ILE   2  -5.065   0.589  -2.409
  122   HG23  ILE   2          HG23      ILE   2  -6.326   0.012  -3.498
  123   HD11  ILE   2          HD11      ILE   2  -9.641  -1.301  -1.731
  124   HD12  ILE   2          HD12      ILE   2  -8.868  -0.691  -0.267
  125   HD13  ILE   2          HD13      ILE   2  -7.911  -1.536  -1.487
  126    H    SER   3           HN       SER   3  -5.501  -0.435   1.122
  127    HA   SER   3           HA       SER   3  -2.890   0.695   0.573
  128    HB2  SER   3           HB2      SER   3  -3.902   0.362   3.376
  129    HB3  SER   3           HB1      SER   3  -2.255   0.796   2.918
  130    HG   SER   3           HG       SER   3  -3.889   2.479   1.711
  131    H    DAR   4           HN       DAR   4  -1.215  -0.550   1.354
  132    HA   DAR   4           HA       DAR   4  -1.905  -3.381   1.151
  133    HB2  DAR   4           HB1      DAR   4  -0.687  -2.048   3.493
  134    HB3  DAR   4           HB2      DAR   4   0.052  -3.561   2.988
  135    HG2  DAR   4           HG1      DAR   4  -2.190  -4.638   3.138
  136    HG3  DAR   4           HG2      DAR   4  -2.817  -3.122   3.786
  137    HD2  DAR   4           HD1      DAR   4  -1.260  -3.268   5.659
  138    HD3  DAR   4           HD2      DAR   4  -0.634  -4.789   5.025
  139    HE   DAR   4           HE       DAR   4  -3.449  -4.894   5.398
  140   HH11  DAR   4          HH21      DAR   4  -3.249  -6.673   8.427
  141   HH12  DAR   4          HH22      DAR   4  -4.332  -6.133   7.093
  142   HH21  DAR   4          HH11      DAR   4  -1.042  -6.043   8.445
  143   HH22  DAR   4          HH12      DAR   4  -0.381  -5.036   7.104
  144    HA   28J   5           HA       28J   5   2.192  -3.421  -0.532
  145    H22  28J   5           HB       28J   5   1.895  -3.927  -2.984
  146    H23  28J   5          HG21      28J   5  -1.019  -3.925  -2.234
  147    H24  28J   5          HG22      28J   5  -0.096  -5.287  -2.872
  148    H25  28J   5          HG23      28J   5  -0.388  -3.868  -3.879
  149    H26  28J   5          HG11      28J   5   1.899  -1.619  -2.047
  150    H27  28J   5          HG12      28J   5   0.147  -1.706  -1.898
  151    H28  28J   5          HD11      28J   5  -0.067  -1.910  -4.310
  152    H29  28J   5          HD12      28J   5   1.688  -1.864  -4.480
  153    H30  28J   5          HD13      28J   5   0.822  -0.452  -3.872
  154    H    ILE   6           HN       ILE   6   3.616  -4.932  -1.593
  155    HA   ILE   6           HA       ILE   6   3.186  -7.614  -0.753
  156    HB   ILE   6           HB       ILE   6   1.769  -7.731  -2.758
  157   HG12  ILE   6          HG12      ILE   6   3.307  -9.680  -1.929
  158   HG13  ILE   6          HG11      ILE   6   2.320  -9.857  -3.380
  159   HG21  ILE   6          HG21      ILE   6   4.176  -7.219  -4.467
  160   HG22  ILE   6          HG22      ILE   6   2.736  -6.215  -4.340
  161   HG23  ILE   6          HG23      ILE   6   2.629  -7.831  -5.046
  162   HD11  ILE   6          HD11      ILE   6   5.108  -8.854  -3.589
  163   HD12  ILE   6          HD12      ILE   6   4.126  -9.738  -4.757
  164   HD13  ILE   6          HD13      ILE   6   4.789 -10.569  -3.353
  165    H    SER   7           HN       SER   7   5.076  -8.801  -0.617
  166    HA   SER   7           HA       SER   7   7.454  -7.938  -1.935
  167    HB2  SER   7           HB2      SER   7   8.675  -7.369   0.239
  168    HB3  SER   7           HB1      SER   7   7.587  -6.133  -0.392
  169    HG   SER   7           HG       SER   7   6.317  -7.863   1.271
  170    H    DTH   8           HN       DTC   8   9.397  -8.889  -0.677
  171    HA   DTH   8           HA       DTC   8   8.621 -11.661   0.022
  172    HB   DTH   8           HB       DTC   8  10.599 -11.834   1.501
  173   HG21  DTH   8          HG21      DTC   8   9.761 -10.330   3.273
  174   HG22  DTH   8          HG22      DTC   8   8.441 -11.163   2.449
  175   HG23  DTH   8          HG23      DTC   8   8.786  -9.473   2.081
  176    H    ALA   9           HN       ALA   9  10.239  -9.887  -2.331
  177    HA   ALA   9           HA       ALA   9  11.898 -12.072  -3.168
  178    HB1  ALA   9           HB1      ALA   9  11.345  -9.294  -4.166
  179    HB2  ALA   9           HB2      ALA   9  10.917 -10.838  -4.910
  180    HB3  ALA   9           HB3      ALA   9  12.595 -10.313  -4.870
  181    H    LEU  10           HN       LEU  10  12.524  -8.656  -2.279
  182    HA   LEU  10           HA       LEU  10  15.334  -9.188  -1.832
  183    HB2  LEU  10           HB2      LEU  10  13.696  -6.754  -1.093
  184    HB3  LEU  10           HB1      LEU  10  15.438  -6.883  -0.988
  185    HG   LEU  10           HG       LEU  10  15.731  -6.849  -3.273
  186   HD11  LEU  10          HD11      LEU  10  14.251  -8.523  -3.906
  187   HD12  LEU  10          HD12      LEU  10  13.809  -7.091  -4.832
  188   HD13  LEU  10          HD13      LEU  10  12.835  -7.581  -3.442
  189   HD21  LEU  10          HD21      LEU  10  14.966  -4.702  -2.339
  190   HD22  LEU  10          HD22      LEU  10  13.339  -5.072  -2.890
  191   HD23  LEU  10          HD23      LEU  10  14.648  -4.870  -4.062
  192    H    ILE  11           HN       ILE  11  12.669  -8.148   0.231
  193    HA   ILE  11           HA       ILE  11  14.151  -9.430   2.470
  194    HB   ILE  11           HB       ILE  11  12.047  -7.294   2.851
  195   HG12  ILE  11          HG12      ILE  11  15.046  -6.896   2.960
  196   HG13  ILE  11          HG11      ILE  11  14.072  -6.459   1.560
  197   HG21  ILE  11          HG21      ILE  11  14.196  -8.415   4.645
  198   HG22  ILE  11          HG22      ILE  11  12.473  -8.777   4.743
  199   HG23  ILE  11          HG23      ILE  11  13.053  -7.145   5.082
  200   HD11  ILE  11          HD11      ILE  11  13.856  -5.313   4.335
  201   HD12  ILE  11          HD12      ILE  11  12.785  -4.914   2.991
  202   HD13  ILE  11          HD13      ILE  11  14.500  -4.512   2.902
  203    H    ZAE   1           HN1      DPH   1   8.582  -5.326   0.881
  204    HA   ZAE   1           HA       DPH   1   8.562  -4.356  -1.212
  205    HB2  ZAE   1           HB1      DPH   1   9.859  -2.174   0.311
  206    HB3  ZAE   1           HB2      DPH   1  10.485  -3.811   0.479
  207    HD1  ZAE   1           HD1      DPH   1   9.056  -3.229  -2.714
  208    HD2  ZAE   1           HD2      DPH   1  12.591  -2.631  -0.438
  209    HE1  ZAE   1           HE1      DPH   1  10.335  -2.951  -4.790
  210    HE2  ZAE   1           HE2      DPH   1  13.883  -2.322  -2.526
  211    HZ   ZAE   1           HZ       DPH   1  12.744  -2.491  -4.712
  212    H11  ZAE   1          HN11      DPH   1   7.577  -2.792   1.972
  213    H12  ZAE   1          HN12      DPH   1   9.254  -3.337   2.078
  214    H13  ZAE   1          HN13      DPH   1   7.976  -4.265   2.865
  215    HN2  ZAE   1           HN2      DPH   1   7.028  -4.685   0.640
  216    H    ILE   2           HN       ILE   2   6.392  -3.753  -1.806
  217    HA   ILE   2           HA       ILE   2   6.370  -0.804  -1.793
  218    HB   ILE   2           HB       ILE   2   5.178  -2.692  -3.832
  219   HG12  ILE   2          HG12      ILE   2   7.501  -2.355  -4.221
  220   HG13  ILE   2          HG11      ILE   2   6.606  -1.425  -5.415
  221   HG21  ILE   2          HG21      ILE   2   4.346  -0.791  -5.076
  222   HG22  ILE   2          HG22      ILE   2   4.857   0.288  -3.780
  223   HG23  ILE   2          HG23      ILE   2   3.591  -0.905  -3.487
  224   HD11  ILE   2          HD11      ILE   2   6.923   0.549  -3.837
  225   HD12  ILE   2          HD12      ILE   2   8.312  -0.018  -4.767
  226   HD13  ILE   2          HD13      ILE   2   8.153  -0.451  -3.064
  227    H    SER   3           HN       SER   3   5.012   0.185  -0.684
  228    HA   SER   3           HA       SER   3   2.444  -0.976  -0.114
  229    HB2  SER   3           HB2      SER   3   4.306  -0.177   2.108
  230    HB3  SER   3           HB1      SER   3   2.612  -0.608   2.303
  231    HG   SER   3           HG       SER   3   3.998  -2.529   0.953
  232    H    DAR   4           HN       DAR   4   1.078   0.469   1.030
  233    HA   DAR   4           HA       DAR   4   1.674   3.201   0.111
  234    HB2  DAR   4           HB1      DAR   4   0.593   2.430   2.810
  235    HB3  DAR   4           HB2      DAR   4   0.292   4.005   2.108
  236    HG2  DAR   4           HG1      DAR   4   2.686   4.466   2.057
  237    HG3  DAR   4           HG2      DAR   4   3.003   2.864   2.727
  238    HD2  DAR   4           HD1      DAR   4   1.880   3.417   4.766
  239    HD3  DAR   4           HD2      DAR   4   1.346   4.962   4.111
  240    HE   DAR   4           HE       DAR   4   4.156   4.836   4.030
  241   HH11  DAR   4          HH21      DAR   4   4.664   6.497   7.098
  242   HH12  DAR   4          HH22      DAR   4   5.429   5.983   5.555
  243   HH21  DAR   4          HH11      DAR   4   2.458   6.012   7.513
  244   HH22  DAR   4          HH12      DAR   4   1.484   5.131   6.284
  245    HA   28J   5           HA       28J   5  -2.629   2.936  -0.712
  246    H22  28J   5           HB       28J   5  -2.865   3.354  -3.136
  247    H23  28J   5          HG21      28J   5  -1.292   5.174  -3.397
  248    H24  28J   5          HG22      28J   5  -0.860   3.850  -4.480
  249    H25  28J   5          HG23      28J   5   0.052   4.106  -2.991
  250    H26  28J   5          HG11      28J   5  -0.719   1.555  -2.069
  251    H27  28J   5          HG12      28J   5  -0.991   1.636  -3.805
  252    H28  28J   5          HD11      28J   5  -2.189  -0.225  -2.833
  253    H29  28J   5          HD12      28J   5  -3.320   0.970  -3.467
  254    H30  28J   5          HD13      28J   5  -3.026   0.867  -1.731
  255    H    ILE   6           HN       ILE   6  -4.433   4.283  -1.346
  256    HA   ILE   6           HA       ILE   6  -3.990   7.076  -0.676
  257    HB   ILE   6           HB       ILE   6  -3.362   7.051  -3.046
  258   HG12  ILE   6          HG12      ILE   6  -5.639   8.688  -2.114
  259   HG13  ILE   6          HG11      ILE   6  -4.052   9.188  -2.669
  260   HG21  ILE   6          HG21      ILE   6  -4.968   6.742  -4.848
  261   HG22  ILE   6          HG22      ILE   6  -6.195   6.235  -3.689
  262   HG23  ILE   6          HG23      ILE   6  -4.745   5.258  -3.921
  263   HD11  ILE   6          HD11      ILE   6  -4.775   8.906  -4.977
  264   HD12  ILE   6          HD12      ILE   6  -5.860   9.992  -4.099
  265   HD13  ILE   6          HD13      ILE   6  -6.339   8.322  -4.407
  266    H    SER   7           HN       SER   7  -5.750   8.175   0.045
  267    HA   SER   7           HA       SER   7  -8.434   7.134  -0.290
  268    HB2  SER   7           HB2      SER   7  -8.452   7.161   2.398
  269    HB3  SER   7           HB1      SER   7  -8.195   5.705   1.436
  270    HG   SER   7           HG       SER   7  -5.995   7.249   1.982
  271    H    DTH   8           HN       DTC   8 -10.039   8.489   0.393
  272    HA   DTH   8           HA       DTC   8  -9.319  11.223   1.135
  273    HB   DTH   8           HB       DTC   8 -11.138  11.388   2.864
  274   HG21  DTH   8          HG21      DTC   8  -8.801  11.042   3.568
  275   HG22  DTH   8          HG22      DTC   8  -9.007   9.294   3.444
  276   HG23  DTH   8          HG23      DTC   8  -9.917  10.207   4.646
  277    H    ALA   9           HN       ALA   9 -11.279   9.105  -0.657
  278    HA   ALA   9           HA       ALA   9 -13.175  11.091  -1.454
  279    HB1  ALA   9           HB1      ALA   9 -13.718   9.627  -3.125
  280    HB2  ALA   9           HB2      ALA   9 -13.432   8.206  -2.121
  281    HB3  ALA   9           HB3      ALA   9 -12.069   9.121  -2.769
  282    H    LEU  10           HN       LEU  10 -13.663   7.741  -0.426
  283    HA   LEU  10           HA       LEU  10 -16.300   8.354   0.639
  284    HB2  LEU  10           HB2      LEU  10 -14.653   5.844   0.993
  285    HB3  LEU  10           HB1      LEU  10 -16.317   6.039   1.508
  286    HG   LEU  10           HG       LEU  10 -17.023   5.352  -0.467
  287   HD11  LEU  10          HD11      LEU  10 -16.805   7.818  -0.975
  288   HD12  LEU  10          HD12      LEU  10 -16.891   6.724  -2.355
  289   HD13  LEU  10          HD13      LEU  10 -15.340   7.399  -1.862
  290   HD21  LEU  10          HD21      LEU  10 -14.090   5.252  -1.079
  291   HD22  LEU  10          HD22      LEU  10 -15.311   4.776  -2.256
  292   HD23  LEU  10          HD23      LEU  10 -15.188   3.919  -0.720
  293    H    ILE  11           HN       ILE  11 -13.114   7.834   1.958
  294    HA   ILE  11           HA       ILE  11 -14.237   8.630   4.591
  295    HB   ILE  11           HB       ILE  11 -11.853   6.775   4.280
  296   HG12  ILE  11          HG12      ILE  11 -14.682   6.081   5.140
  297   HG13  ILE  11          HG11      ILE  11 -13.950   5.612   3.609
  298   HG21  ILE  11          HG21      ILE  11 -13.470   7.577   6.695
  299   HG22  ILE  11          HG22      ILE  11 -11.870   8.192   6.282
  300   HG23  ILE  11          HG23      ILE  11 -12.083   6.489   6.687
  301   HD11  ILE  11          HD11      ILE  11 -13.201   4.684   6.373
  302   HD12  ILE  11          HD12      ILE  11 -12.226   4.356   4.940
  303   HD13  ILE  11          HD13      ILE  11 -13.871   3.729   5.050
  304    H    ZAE   1           HN1      DPH   1  -8.591  17.020   3.515
  305    HA   ZAE   1           HA       DPH   1  -9.066  16.065   1.377
  306    HB2  ZAE   1           HB1      DPH   1 -10.355  14.090   3.199
  307    HB3  ZAE   1           HB2      DPH   1 -10.642  15.798   3.514
  308    HD1  ZAE   1           HD1      DPH   1 -10.335  16.348   0.360
  309    HD2  ZAE   1           HD2      DPH   1 -12.790  13.833   2.779
  310    HE1  ZAE   1           HE1      DPH   1 -12.085  16.389  -1.376
  311    HE2  ZAE   1           HE2      DPH   1 -14.542  13.870   1.044
  312    HZ   ZAE   1           HZ       DPH   1 -14.192  15.150  -1.035
  313    H11  ZAE   1          HN11      DPH   1  -7.356  15.833   5.194
  314    H12  ZAE   1          HN12      DPH   1  -7.595  14.352   4.265
  315    H13  ZAE   1          HN13      DPH   1  -8.984  15.193   4.956
  316    HN2  ZAE   1           HN2      DPH   1  -7.193  16.322   2.867
  317    H    ILE   2           HN       ILE   2  -7.388  15.083   0.267
  318    HA   ILE   2           HA       ILE   2  -7.392  12.172   0.431
  319    HB   ILE   2           HB       ILE   2  -6.484  14.138  -1.678
  320   HG12  ILE   2          HG12      ILE   2  -7.943  12.601  -3.111
  321   HG13  ILE   2          HG11      ILE   2  -8.480  11.873  -1.604
  322   HG21  ILE   2          HG21      ILE   2  -5.598  12.263  -3.012
  323   HG22  ILE   2          HG22      ILE   2  -5.833  11.193  -1.629
  324   HG23  ILE   2          HG23      ILE   2  -4.687  12.527  -1.524
  325   HD11  ILE   2          HD11      ILE   2 -10.034  13.552  -2.465
  326   HD12  ILE   2          HD12      ILE   2  -8.776  14.780  -2.306
  327   HD13  ILE   2          HD13      ILE   2  -9.401  13.964  -0.871
  328    H    SER   3           HN       SER   3  -5.731  11.048   1.255
  329    HA   SER   3           HA       SER   3  -3.063  12.163   1.206
  330    HB2  SER   3           HB2      SER   3  -4.242  11.352   3.867
  331    HB3  SER   3           HB1      SER   3  -2.571  11.813   3.577
  332    HG   SER   3           HG       SER   3  -4.185  13.747   2.673
  333    H    DAR   4           HN       DAR   4  -1.462  10.575   2.093
  334    HA   DAR   4           HA       DAR   4  -2.198   7.932   1.048
  335    HB2  DAR   4           HB1      DAR   4  -0.868   8.655   3.615
  336    HB3  DAR   4           HB2      DAR   4  -0.435   7.151   2.810
  337    HG2  DAR   4           HG1      DAR   4  -2.891   6.625   2.757
  338    HG3  DAR   4           HG2      DAR   4  -3.108   7.993   3.854
  339    HD2  DAR   4           HD1      DAR   4  -1.397   6.917   5.347
  340    HD3  DAR   4           HD2      DAR   4  -1.503   5.491   4.312
  341    HE   DAR   4           HE       DAR   4  -4.058   6.356   5.194
  342   HH11  DAR   4          HH21      DAR   4  -4.261   4.042   7.828
  343   HH12  DAR   4          HH22      DAR   4  -5.173   5.229   6.831
  344   HH21  DAR   4          HH11      DAR   4  -2.029   3.664   7.420
  345   HH22  DAR   4          HH12      DAR   4  -1.207   4.513   6.062
  346    HA   28J   5           HA       28J   5   1.828   8.421  -0.553
  347    H22  28J   5           HB       28J   5   1.770   8.186  -3.094
  348    H23  28J   5          HG21      28J   5  -1.185   8.016  -2.513
  349    H24  28J   5          HG22      28J   5  -0.190   6.799  -3.313
  350    H25  28J   5          HG23      28J   5  -0.498   8.346  -4.102
  351    H26  28J   5          HG11      28J   5   0.039  10.234  -1.679
  352    H27  28J   5          HG12      28J   5   0.459  10.344  -3.385
  353    H28  28J   5          HD11      28J   5   1.922  11.751  -2.106
  354    H29  28J   5          HD12      28J   5   2.843  10.399  -2.766
  355    H30  28J   5          HD13      28J   5   2.374  10.400  -1.066
  356    H    ILE   6           HN       ILE   6   3.148   7.092  -2.241
  357    HA   ILE   6           HA       ILE   6   2.981   4.258  -1.479
  358    HB   ILE   6           HB       ILE   6   2.043   4.343  -3.634
  359   HG12  ILE   6          HG12      ILE   6   4.902   3.737  -4.343
  360   HG13  ILE   6          HG11      ILE   6   3.911   2.622  -3.401
  361   HG21  ILE   6          HG21      ILE   6   4.201   6.274  -4.395
  362   HG22  ILE   6          HG22      ILE   6   2.453   6.507  -4.420
  363   HG23  ILE   6          HG23      ILE   6   3.218   5.438  -5.596
  364   HD11  ILE   6          HD11      ILE   6   3.326   3.625  -6.165
  365   HD12  ILE   6          HD12      ILE   6   2.369   2.455  -5.256
  366   HD13  ILE   6          HD13      ILE   6   4.014   2.055  -5.752
  367    H    SER   7           HN       SER   7   4.931   3.337  -0.825
  368    HA   SER   7           HA       SER   7   7.471   4.413  -1.785
  369    HB2  SER   7           HB2      SER   7   8.284   4.317   0.743
  370    HB3  SER   7           HB1      SER   7   7.637   5.794   0.029
  371    HG   SER   7           HG       SER   7   5.982   5.667   1.289
  372    H    DTH   8           HN       DTC   8   9.325   3.120  -1.236
  373    HA   DTH   8           HA       DTC   8   8.672   0.265  -1.082
  374    HB   DTH   8           HB       DTC   8  10.427  -0.304   0.515
  375   HG21  DTH   8          HG21      DTC   8   9.478   0.736   2.530
  376   HG22  DTH   8          HG22      DTC   8   8.188   0.324   1.399
  377   HG23  DTH   8          HG23      DTC   8   8.729   1.995   1.550
  378    H    ALA   9           HN       ALA   9  10.555   2.871  -2.219
  379    HA   ALA   9           HA       ALA   9  11.866   1.377  -4.250
  380    HB1  ALA   9           HB1      ALA   9  13.148   3.710  -4.342
  381    HB2  ALA   9           HB2      ALA   9  11.767   4.219  -3.385
  382    HB3  ALA   9           HB3      ALA   9  11.523   3.521  -4.981
  383    H    LEU  10           HN       LEU  10  13.079   3.655  -2.035
  384    HA   LEU  10           HA       LEU  10  15.629   2.192  -1.815
  385    HB2  LEU  10           HB2      LEU  10  16.221   4.383  -0.450
  386    HB3  LEU  10           HB1      LEU  10  16.254   4.354  -2.200
  387    HG   LEU  10           HG       LEU  10  15.209   6.398  -1.255
  388   HD11  LEU  10          HD11      LEU  10  14.607   5.101  -3.476
  389   HD12  LEU  10          HD12      LEU  10  13.783   6.583  -2.991
  390   HD13  LEU  10          HD13      LEU  10  13.029   5.018  -2.692
  391   HD21  LEU  10          HD21      LEU  10  12.889   4.639  -0.499
  392   HD22  LEU  10          HD22      LEU  10  13.087   6.367  -0.205
  393   HD23  LEU  10          HD23      LEU  10  14.088   5.203   0.663
  394    H    ILE  11           HN       ILE  11  12.803   3.079  -0.075
  395    HA   ILE  11           HA       ILE  11  13.998   1.805   2.337
  396    HB   ILE  11           HB       ILE  11  12.208   4.231   2.196
  397   HG12  ILE  11          HG12      ILE  11  14.413   3.827   4.185
  398   HG13  ILE  11          HG11      ILE  11  14.854   4.172   2.516
  399   HG21  ILE  11          HG21      ILE  11  11.148   2.532   3.645
  400   HG22  ILE  11          HG22      ILE  11  11.650   3.979   4.521
  401   HG23  ILE  11          HG23      ILE  11  12.610   2.502   4.630
  402   HD11  ILE  11          HD11      ILE  11  14.844   6.247   3.595
  403   HD12  ILE  11          HD12      ILE  11  13.341   5.898   4.448
  404   HD13  ILE  11          HD13      ILE  11  13.320   6.201   2.711
  405    H1   ALA   1           HN       ALA   1 -11.648 -10.792  10.754
  406    HA   ALA   1           HA       ALA   1 -13.685 -10.781  12.669
  407    HB1  ALA   1           HB1      ALA   1 -14.260  -8.599  11.560
  408    HB2  ALA   1           HB2      ALA   1 -15.561  -9.803  11.539
  409    HB3  ALA   1           HB3      ALA   1 -14.591  -9.516  10.091
  410    H    DGL   2           HN       DGL   2 -15.932 -11.285  10.723
  411    HA   DGL   2           HA       DGL   2 -16.592 -12.862   9.115
  412    HB2  DGL   2           HB1      DGL   2 -15.228 -15.161   9.572
  413    HB3  DGL   2           HB2      DGL   2 -16.731 -14.722  10.373
  414    HG2  DGL   2           HG1      DGL   2 -15.716 -14.737  12.430
  415    HG3  DGL   2           HG2      DGL   2 -14.450 -13.630  11.938
  416    H    LYS   3           HN       LYS   3 -12.662 -14.666  10.712
  417    HA   LYS   3           HA       LYS   3 -10.919 -15.943  10.689
  418    HB2  LYS   3           HB2      LYS   3 -11.561 -15.981  13.181
  419    HB3  LYS   3           HB1      LYS   3 -11.844 -17.708  12.904
  420    HG2  LYS   3           HG2      LYS   3  -9.379 -16.566  11.702
  421    HG3  LYS   3           HG1      LYS   3  -9.414 -16.596  13.455
  422    HD2  LYS   3           HD2      LYS   3  -8.707 -18.742  13.504
  423    HD3  LYS   3           HD1      LYS   3 -10.210 -19.125  12.744
  424    HE2  LYS   3           HE2      LYS   3  -7.656 -18.647  11.251
  425    HE3  LYS   3           HE1      LYS   3  -8.704 -20.239  11.533
  426    HZ1  LYS   3           HZ1      LYS   3 -10.205 -19.179   9.760
  427    HZ2  LYS   3           HZ2      LYS   3  -8.841 -20.058   9.417
  428    HZ3  LYS   3           HZ3      LYS   3  -8.784 -18.394   9.324
  429    H    DAL   4           HN       DAL   4 -12.851 -16.148   8.997
  430    HA   DAL   4           HA       DAL   4 -13.470 -17.236   6.762
  431    HB1  DAL   4           HB1      DAL   4 -14.270 -19.623   8.183
  432    HB2  DAL   4           HB2      DAL   4 -14.658 -19.135   6.541
  433    HB3  DAL   4           HB3      DAL   4 -15.369 -18.235   7.920
  434    H    DAL   5           HN       DAL   5 -11.164 -16.362   6.364
  435    HA   DAL   5           HA       DAL   5  -8.720 -16.498   5.549
  436    HB1  DAL   5           HB1      DAL   5  -9.752 -19.281   5.016
  437    HB2  DAL   5           HB2      DAL   5  -8.869 -18.234   3.916
  438    HB3  DAL   5           HB3      DAL   5 -10.612 -18.023   4.138
  439    H1   ALA   1           HN       ALA   1  10.705  -5.697 -11.716
  440    HA   ALA   1           HA       ALA   1  12.219  -7.223 -13.480
  441    HB1  ALA   1           HB1      ALA   1  13.130  -8.232 -11.396
  442    HB2  ALA   1           HB2      ALA   1  12.334  -9.412 -12.454
  443    HB3  ALA   1           HB3      ALA   1  11.509  -8.813 -11.007
  444    H    DGL   2           HN       DGL   2  10.675  -9.805 -12.977
  445    HA   DGL   2           HA       DGL   2   8.532 -10.508 -12.838
  446    HB2  DGL   2           HB1      DGL   2   7.193  -9.625 -15.053
  447    HB3  DGL   2           HB2      DGL   2   8.800 -10.252 -15.403
  448    HG2  DGL   2           HG1      DGL   2   9.591  -8.194 -16.167
  449    HG3  DGL   2           HG2      DGL   2   8.767  -7.250 -14.941
  450    H    LYS   3           HN       LYS   3   6.153  -7.859 -15.421
  451    HA   LYS   3           HA       LYS   3   4.382  -7.294 -16.534
  452    HB2  LYS   3           HB2      LYS   3   6.383  -5.481 -17.773
  453    HB3  LYS   3           HB1      LYS   3   4.691  -5.416 -18.300
  454    HG2  LYS   3           HG2      LYS   3   5.828  -4.981 -15.543
  455    HG3  LYS   3           HG1      LYS   3   4.888  -3.863 -16.510
  456    HD2  LYS   3           HD2      LYS   3   3.030  -4.405 -15.337
  457    HD3  LYS   3           HD1      LYS   3   3.141  -5.902 -16.190
  458    HE2  LYS   3           HE1      LYS   3   4.559  -5.692 -13.581
  459    HE3  LYS   3           HE2      LYS   3   2.699  -6.125 -13.842
  460    HZ1  LYS   3           HZ1      LYS   3   3.481  -8.149 -13.184
  461    HZ2  LYS   3           HZ2      LYS   3   5.051  -7.879 -13.848
  462    HZ3  LYS   3           HZ3      LYS   3   3.722  -8.176 -14.848
  463    H    DAL   4           HN       DAL   4   5.542  -9.581 -16.996
  464    HA   DAL   4           HA       DAL   4   5.718 -11.491 -19.025
  465    HB1  DAL   4           HB1      DAL   4   3.351 -10.370 -20.244
  466    HB2  DAL   4           HB2      DAL   4   4.230 -11.825 -20.687
  467    HB3  DAL   4           HB3      DAL   4   4.987 -10.220 -20.952
  468    H    DAL   5           HN       DAL   5   5.977 -11.550 -16.309
  469    HA   DAL   5           HA       DAL   5   5.457 -12.802 -14.131
  470    HB1  DAL   5           HB1      DAL   5   3.406 -13.999 -15.992
  471    HB2  DAL   5           HB2      DAL   5   4.396 -14.841 -14.811
  472    HB3  DAL   5           HB3      DAL   5   5.071 -14.405 -16.388
  473    H1   ALA   1           HN       ALA   1 -14.926   2.342  -5.100
  474    HA   ALA   1           HA       ALA   1 -16.315  -0.011  -4.548
  475    HB1  ALA   1           HB1      ALA   1 -16.442   1.962  -2.264
  476    HB2  ALA   1           HB2      ALA   1 -15.764   0.324  -2.210
  477    HB3  ALA   1           HB3      ALA   1 -17.498   0.562  -2.462
  478    H    DGL   2           HN       DGL   2 -18.475   0.092  -5.234
  479    HA   DGL   2           HA       DGL   2 -20.466   1.129  -5.655
  480    HB2  DGL   2           HB1      DGL   2 -20.166   3.299  -7.186
  481    HB3  DGL   2           HB2      DGL   2 -19.840   1.685  -7.823
  482    HG2  DGL   2           HG1      DGL   2 -17.609   2.147  -8.181
  483    HG3  DGL   2           HG2      DGL   2 -17.380   2.917  -6.624
  484    H    LYS   3           HN       LYS   3 -18.381   5.150  -6.507
  485    HA   LYS   3           HA       LYS   3 -18.270   7.252  -7.035
  486    HB2  LYS   3           HB2      LYS   3 -16.071   6.358  -8.021
  487    HB3  LYS   3           HB1      LYS   3 -16.778   6.825  -9.578
  488    HG2  LYS   3           HG2      LYS   3 -17.111   8.775  -7.372
  489    HG3  LYS   3           HG1      LYS   3 -15.455   8.515  -7.880
  490    HD2  LYS   3           HD2      LYS   3 -15.669  10.001  -9.568
  491    HD3  LYS   3           HD1      LYS   3 -16.804   8.886 -10.239
  492    HE2  LYS   3           HE1      LYS   3 -17.542  11.253  -8.559
  493    HE3  LYS   3           HE2      LYS   3 -17.876  10.813 -10.405
  494    HZ1  LYS   3           HZ1      LYS   3 -19.699   9.365  -9.522
  495    HZ2  LYS   3           HZ2      LYS   3 -19.869  11.014  -9.551
  496    HZ3  LYS   3           HZ3      LYS   3 -19.544  10.255  -8.102
  497    H    DAL   4           HN       DAL   4 -20.400   5.874  -7.388
  498    HA   DAL   4           HA       DAL   4 -22.896   6.115  -7.910
  499    HB1  DAL   4           HB1      DAL   4 -22.266   6.126 -10.730
  500    HB2  DAL   4           HB2      DAL   4 -23.822   5.876  -9.953
  501    HB3  DAL   4           HB3      DAL   4 -22.542   4.628  -9.792
  502    H    DAL   5           HN       DAL   5 -22.504   7.903  -6.210
  503    HA   DAL   5           HA       DAL   5 -22.777  10.269  -5.244
  504    HB1  DAL   5           HB1      DAL   5 -23.766  10.658  -8.066
  505    HB2  DAL   5           HB2      DAL   5 -24.506  11.236  -6.582
  506    HB3  DAL   5           HB3      DAL   5 -24.751   9.564  -7.106
  507    H1   ALA   1           HN       ALA   1  10.068  12.027   0.566
  508    HA   ALA   1           HA       ALA   1  11.509  13.979  -0.797
  509    HB1  ALA   1           HB1      ALA   1  10.994  13.659  -3.095
  510    HB2  ALA   1           HB2      ALA   1   9.983  12.244  -2.754
  511    HB3  ALA   1           HB3      ALA   1  11.735  12.169  -2.509
  512    H    DGL   2           HN       DGL   2   9.467  14.638  -2.852
  513    HA   DGL   2           HA       DGL   2   7.273  15.206  -3.054
  514    HB2  DGL   2           HB1      DGL   2   6.667  16.454  -0.515
  515    HB3  DGL   2           HB2      DGL   2   7.431  17.304  -1.853
  516    HG2  DGL   2           HG1      DGL   2   9.401  17.594  -0.672
  517    HG3  DGL   2           HG2      DGL   2   9.506  15.910  -0.198
  518    H    LYS   3           HN       LYS   3   6.757  16.253   1.072
  519    HA   LYS   3           HA       LYS   3   5.790  16.730   2.960
  520    HB2  LYS   3           HB2      LYS   3   7.705  15.146   3.492
  521    HB3  LYS   3           HB1      LYS   3   8.392  16.498   4.410
  522    HG2  LYS   3           HG2      LYS   3   5.508  15.658   4.707
  523    HG3  LYS   3           HG1      LYS   3   6.780  14.861   5.612
  524    HD2  LYS   3           HD2      LYS   3   7.336  16.835   6.917
  525    HD3  LYS   3           HD1      LYS   3   6.410  17.789   5.816
  526    HE2  LYS   3           HE1      LYS   3   4.850  15.796   7.331
  527    HE3  LYS   3           HE2      LYS   3   5.513  17.436   8.094
  528    HZ1  LYS   3           HZ1      LYS   3   2.922  17.108   7.454
  529    HZ2  LYS   3           HZ2      LYS   3   3.587  17.721   5.985
  530    HZ3  LYS   3           HZ3      LYS   3   3.816  18.533   7.449
  531    H    DAL   4           HN       DAL   4   6.048  18.716   1.462
  532    HA   DAL   4           HA       DAL   4   5.487  21.203   1.173
  533    HB1  DAL   4           HB1      DAL   4   7.584  21.924   3.025
  534    HB2  DAL   4           HB2      DAL   4   6.697  22.955   1.912
  535    HB3  DAL   4           HB3      DAL   4   7.850  21.742   1.264
  536    H    DAL   5           HN       DAL   5   3.421  19.699   1.773
  537    HA   DAL   5           HA       DAL   5   1.117  19.480   2.896
  538    HB1  DAL   5           HB1      DAL   5   1.753  22.022   2.714
  539    HB2  DAL   5           HB2      DAL   5   2.551  21.887   4.272
  540    HB3  DAL   5           HB3      DAL   5   0.791  21.744   4.160
  541    H12  P1W 103           H12      TPL  10 -11.302  -6.995   2.333
  542    H11  P1W 103           H11      TPL  10 -11.828  -8.163   3.544
  543    H2   P1W 103           H2       TPL  10  -9.478  -8.954   3.809
  544    H43  P1W 103           H42      TPL  10  -6.840  -8.420   1.649
  545    H42  P1W 103           H41      TPL  10  -7.567  -9.641   2.693
  546    H51  P1W 103           H51      TPL  10  -9.378  -7.556  -0.065
  547    H52  P1W 103           H52      TPL  10  -8.181  -6.551   0.762
  548    H53  P1W 103           H53      TPL  10  -9.891  -6.410   1.176
  549    H12  P1W 104           H12      TPL  11  -8.066  -9.405  -0.264
  550    H11  P1W 104           H11      TPL  11  -6.883 -10.500   0.455
  551    H2   P1W 104           H2       TPL  11  -8.920 -11.397   1.862
  552    H43  P1W 104           H42      TPL  11 -11.637 -12.361  -0.540
  553    H42  P1W 104           H41      TPL  11 -10.630 -13.082   0.720
  554    H51  P1W 104           H51      TPL  11 -10.519  -9.366  -0.975
  555    H52  P1W 104           H52      TPL  11 -10.973 -10.852  -1.812
  556    H53  P1W 104           H53      TPL  11  -9.290 -10.326  -1.792
  557    H12  P1W 105           H12      TPL  11   5.297  -6.130  -6.281
  558    H11  P1W 105           H11      TPL  11   6.615  -6.398  -7.438
  559    H2   P1W 105           H2       TPL  11   4.790  -7.857  -8.718
  560    H43  P1W 105           H42      TPL  11   2.557  -7.526  -9.649
  561    H42  P1W 105           H41      TPL  11   1.499  -6.301  -8.941
  562    H51  P1W 105           H51      TPL  11   2.470  -4.471  -7.737
  563    H52  P1W 105           H52      TPL  11   4.006  -4.665  -6.890
  564    H53  P1W 105           H53      TPL  11   2.597  -5.603  -6.391
  565    H12  P1W 106           H12      TPL  12 -11.454 -11.078   2.171
  566    H11  P1W 106           H11      TPL  12 -12.739 -10.961   0.972
  567    H2   P1W 106           H2       TPL  12 -13.609 -13.112   1.559
  568    H43  P1W 106           H43      TPL  12 -13.551 -14.054   5.060
  569    H41  P1W 106           H41      TPL  12 -12.755 -15.213   3.991
  570    H42  P1W 106           H42      TPL  12 -14.259 -14.442   3.491
  571    H51  P1W 106           H51      TPL  12 -11.747 -11.505   4.480
  572    H52  P1W 106           H52      TPL  12 -10.530 -12.588   3.805
  573    H53  P1W 106           H53      TPL  12 -11.450 -13.076   5.229
  574    H12  P1W 107           H12      TPL  12   3.234  -4.667 -10.149
  575    H11  P1W 107           H11      TPL  12   3.444  -6.068 -11.195
  576    H2   P1W 107           H2       TPL  12   1.222  -5.929 -11.999
  577    H43  P1W 107           H43      TPL  12  -1.246  -3.805 -11.298
  578    H41  P1W 107           H41      TPL  12  -0.493  -4.395 -12.781
  579    H42  P1W 107           H42      TPL  12  -0.350  -2.696 -12.337
  580    H51  P1W 107           H51      TPL  12   0.660  -2.059 -10.338
  581    H52  P1W 107           H52      TPL  12   2.313  -2.459 -10.802
  582    H53  P1W 107           H53      TPL  12   1.614  -3.162  -9.341
  583    H12  P1W 103           H12      TPL  10   8.328  -8.928  -2.826
  584    H11  P1W 103           H11      TPL  10   9.420  -9.894  -3.800
  585    H2   P1W 103           H2       TPL  10   7.871  -9.951  -5.551
  586    H43  P1W 103           H42      TPL  10   6.275  -8.867  -7.174
  587    H42  P1W 103           H41      TPL  10   4.992  -8.547  -6.001
  588    H51  P1W 103           H51      TPL  10   5.922  -6.451  -4.345
  589    H52  P1W 103           H52      TPL  10   7.273  -5.949  -5.367
  590    H53  P1W 103           H53      TPL  10   7.576  -6.708  -3.812
  591    H12  P1W 103           H12      TPL  10 -10.966   7.914  -5.474
  592    H11  P1W 103           H11      TPL  10  -9.349   7.282  -5.185
  593    H2   P1W 103           H2       TPL  10  -9.783   9.968  -3.991
  594    H43  P1W 103           H42      TPL  10  -8.206  11.596  -4.896
  595    H42  P1W 103           H41      TPL  10  -7.737  11.500  -6.592
  596    H51  P1W 103           H51      TPL  10  -8.498   9.971  -8.017
  597    H52  P1W 103           H52      TPL  10 -10.063   9.220  -7.691
  598    H53  P1W 103           H53      TPL  10  -8.573   8.371  -7.272
  599    H12  P1W 103           H12      TPL  10   8.890   7.189  -4.523
  600    H11  P1W 103           H11      TPL  10   7.595   7.811  -3.502
  601    H2   P1W 103           H2       TPL  10   6.564   5.758  -5.306
  602    H43  P1W 103           H42      TPL  10   6.247   6.902  -8.303
  603    H42  P1W 103           H41      TPL  10   5.194   6.304  -7.018
  604    H51  P1W 103           H51      TPL  10   7.604   8.947  -7.756
  605    H52  P1W 103           H52      TPL  10   8.628   8.637  -6.352
  606    H53  P1W 103           H53      TPL  10   7.190   9.647  -6.186
  607    H12  P1W 104           H12      TPL  11  -9.161  13.300  -6.643
  608    H11  P1W 104           H11      TPL  11 -10.291  11.995  -6.998
  609    H2   P1W 104           H2       TPL  11 -10.126  13.689  -4.534
  610    H43  P1W 104           H42      TPL  11 -13.157  11.860  -3.302
  611    H42  P1W 104           H41      TPL  11 -11.824  12.861  -2.722
  612    H51  P1W 104           H51      TPL  11 -13.275  10.926  -5.175
  613    H52  P1W 104           H52      TPL  11 -11.698  10.369  -5.736
  614    H53  P1W 104           H53      TPL  11 -12.551  11.635  -6.616
  615    H12  P1W 105           H12      TPL  11   4.190   8.442  -6.738
  616    H11  P1W 105           H11      TPL  11   5.362   9.220  -7.800
  617    H2   P1W 105           H2       TPL  11   4.434   7.646  -9.672
  618    H43  P1W 105           H42      TPL  11   0.660   7.881  -9.667
  619    H42  P1W 105           H41      TPL  11   2.012   8.125 -10.771
  620    H51  P1W 105           H51      TPL  11   1.764   9.120  -7.182
  621    H52  P1W 105           H52      TPL  11   2.300   7.533  -6.628
  622    H53  P1W 105           H53      TPL  11   0.793   7.692  -7.527
  623    H12  P1W 106           H12      TPL  12 -13.603  14.369  -2.881
  624    H11  P1W 106           H11      TPL  12 -12.718  14.632  -4.381
  625    H2   P1W 106           H2       TPL  12 -14.474  13.794  -5.666
  626    H43  P1W 106           H43      TPL  12 -17.833  13.145  -4.434
  627    H41  P1W 106           H41      TPL  12 -17.005  11.757  -5.145
  628    H42  P1W 106           H42      TPL  12 -16.855  13.349  -5.889
  629    H51  P1W 106           H51      TPL  12 -15.547  11.803  -2.411
  630    H52  P1W 106           H52      TPL  12 -16.941  12.881  -2.365
  631    H53  P1W 106           H53      TPL  12 -15.330  13.508  -2.011
  632    H12  P1W 107           H12      TPL  12   2.657   5.774 -10.497
  633    H11  P1W 107           H11      TPL  12   1.310   5.527  -9.388
  634    H2   P1W 107           H2       TPL  12   1.238   5.875 -12.367
  635    H43  P1W 107           H43      TPL  12  -0.957   5.624 -13.418
  636    H41  P1W 107           H41      TPL  12  -2.390   5.508 -12.392
  637    H42  P1W 107           H42      TPL  12  -1.445   4.063 -12.753
  638    H51  P1W 107           H51      TPL  12  -2.263   4.851 -10.194
  639    H52  P1W 107           H52      TPL  12  -1.164   5.958  -9.373
  640    H53  P1W 107           H53      TPL  12  -0.753   4.248  -9.507
  641    H1   MUB 101           H1       NAM   6 -11.295  -7.367   7.460
  642    H2   MUB 101           H2       NAM   6  -9.939  -7.140   9.240
  643    HN2  MUB 101           HN2      NAM   6  -7.777  -6.724   8.747
  644    H81  MUB 101           H81      NAM   6  -5.442  -7.900   8.979
  645    H82  MUB 101           H82      NAM   6  -5.658  -7.403   7.303
  646    H83  MUB 101           H83      NAM   6  -5.261  -9.082   7.654
  647    H3   MUB 101           H3       NAM   6  -8.924 -10.034   8.645
  648    H9   MUB 101           H9       NAM   6 -10.814  -8.246  10.365
  649   H111  MUB 101          H111      NAM   6  -8.635  -7.639  12.403
  650   H112  MUB 101          H112      NAM   6 -10.196  -6.886  12.519
  651   H113  MUB 101          H113      NAM   6  -9.324  -6.635  11.045
  652    H4A  MUB 101           H4       NAM   6 -11.923  -9.617   9.262
  653    H5   MUB 101           H5       NAM   6 -11.092 -10.858   6.696
  654    H61  MUB 101           H61      NAM   6 -12.887 -10.187   5.804
  655    H62  MUB 101           H62      NAM   6 -12.852  -8.504   6.438
  656    HO6  MUB 101           HO6      NAM   6 -13.654 -11.035   7.704
  657    H1   NAG 102           H1       NAG   7  -9.209 -11.587   9.401
  658    H2   NAG 102           H2       NAG   7 -11.113 -14.026   9.283
  659    H3   NAG 102           H3       NAG   7  -8.115 -13.992   9.776
  660    H4   NAG 102           H4       NAG   7  -9.382 -15.065   7.280
  661    H5   NAG 102           H5       NAG   7  -7.751 -12.337   7.637
  662    H61  NAG 102           H61      NAG   7  -9.088 -13.373   5.141
  663    H62  NAG 102           H62      NAG   7  -7.375 -13.353   5.503
  664    H81  NAG 102           H81      NAG   7  -9.039 -12.230  13.743
  665    H82  NAG 102           H82      NAG   7 -10.055 -13.659  13.646
  666    H83  NAG 102           H83      NAG   7 -10.778 -12.084  13.346
  667    HN2  NAG 102           HN2      NAG   7 -11.332 -13.599  11.288
  668    HO3  NAG 102           HO3      NAG   7  -8.742 -16.267   9.125
  669    HO4  NAG 102           HO4      NAG   7  -7.477 -15.904   7.792
  670    HO6  NAG 102           HO6      NAG   7  -8.810 -11.004   5.934
  671    H1   MUB 101           H1       NAM   6  10.613  -6.522  -7.307
  672    H2   MUB 101           H2       NAM   6  11.912  -4.725  -7.780
  673    HN2  MUB 101           HN2      NAM   6  11.577  -2.842  -6.643
  674    H81  MUB 101           H81      NAM   6   9.965  -1.090  -5.733
  675    H82  MUB 101           H82      NAM   6   8.929  -0.435  -6.986
  676    H83  MUB 101           H83      NAM   6  10.669  -0.357  -7.199
  677    H3   MUB 101           H3       NAM   6   9.447  -3.570  -9.296
  678    H9   MUB 101           H9       NAM   6  12.059  -5.214  -9.546
  679   H111  MUB 101          H111      NAM   6  13.840  -2.764  -9.840
  680   H112  MUB 101          H112      NAM   6  14.506  -4.358  -9.667
  681   H113  MUB 101          H113      NAM   6  13.475  -3.810  -8.391
  682    H4A  MUB 101           H4       NAM   6  10.493  -6.362 -10.083
  683    H5   MUB 101           H5       NAM   6   7.684  -6.121  -9.081
  684    H61  MUB 101           H61      NAM   6   7.785  -8.154  -8.235
  685    H62  MUB 101           H62      NAM   6   9.568  -8.069  -7.890
  686    HO6  MUB 101           HO6      NAM   6   8.285  -8.129 -10.549
  687    H1   NAG 102           H1       NAG   7   8.949  -3.515 -11.074
  688    H2   NAG 102           H2       NAG   7   7.169  -5.216 -12.991
  689    H3   NAG 102           H3       NAG   7   7.338  -2.220 -12.695
  690    H4   NAG 102           H4       NAG   7   4.964  -3.848 -11.830
  691    H5   NAG 102           H5       NAG   7   7.108  -2.385  -9.956
  692    H61  NAG 102           H61      NAG   7   4.847  -4.170  -9.092
  693    H62  NAG 102           H62      NAG   7   4.857  -2.417  -9.065
  694    H81  NAG 102           H81      NAG   7  10.250  -3.456 -15.648
  695    H82  NAG 102           H82      NAG   7  11.285  -4.393 -14.580
  696    H83  NAG 102           H83      NAG   7  11.407  -2.638 -14.554
  697    HN2  NAG 102           HN2      NAG   7   8.792  -5.120 -14.189
  698    HO3  NAG 102           HO3      NAG   7   5.446  -2.514 -13.968
  699    HO4  NAG 102           HO4      NAG   7   5.653  -1.167 -11.380
  700    HO6  NAG 102           HO6      NAG   7   7.117  -3.214  -8.004
  701    H1   MUB 101           H1       NAM   6 -13.597   5.674  -2.746
  702    H2   MUB 101           H2       NAM   6 -12.193   3.953  -2.936
  703    HN2  MUB 101           HN2      NAM   6 -10.040   4.632  -3.188
  704    H81  MUB 101           H81      NAM   6  -8.281   5.851  -4.677
  705    H82  MUB 101           H82      NAM   6  -8.355   5.256  -6.329
  706    H83  MUB 101           H83      NAM   6  -8.144   4.108  -5.012
  707    H3   MUB 101           H3       NAM   6 -12.202   4.566  -6.017
  708    H9   MUB 101           H9       NAM   6 -13.009   2.695  -3.678
  709   H111  MUB 101          H111      NAM   6 -10.976   2.405  -2.633
  710   H112  MUB 101          H112      NAM   6 -10.380   1.582  -4.041
  711   H113  MUB 101          H113      NAM   6 -11.282   0.629  -2.914
  712    H4A  MUB 101           H4       NAM   6 -14.753   3.793  -4.386
  713    H5   MUB 101           H5       NAM   6 -14.544   6.270  -6.087
  714    H61  MUB 101           H61      NAM   6 -15.824   7.406  -4.636
  715    H62  MUB 101           H62      NAM   6 -15.559   6.208  -3.289
  716    HO6  MUB 101           HO6      NAM   6 -16.787   4.723  -4.821
  717    H1   NAG 102           H1       NAG   7 -13.173   3.421  -7.340
  718    H2   NAG 102           H2       NAG   7 -15.983   3.496  -8.702
  719    H3   NAG 102           H3       NAG   7 -13.328   2.889  -9.997
  720    H4   NAG 102           H4       NAG   7 -14.884   5.399 -10.510
  721    H5   NAG 102           H5       NAG   7 -12.205   5.104  -8.779
  722    H61  NAG 102           H61      NAG   7 -13.853   7.572  -9.277
  723    H62  NAG 102           H62      NAG   7 -12.287   7.182  -9.951
  724    H81  NAG 102           H81      NAG   7 -14.923  -0.880  -8.673
  725    H82  NAG 102           H82      NAG   7 -15.125  -0.493  -6.971
  726    H83  NAG 102           H83      NAG   7 -13.527  -0.943  -7.554
  727    HN2  NAG 102           HN2      NAG   7 -16.078   1.551  -8.156
  728    HO3  NAG 102           HO3      NAG   7 -15.994   3.438 -10.812
  729    HO4  NAG 102           HO4      NAG   7 -13.432   4.517 -12.004
  730    HO6  NAG 102           HO6      NAG   7 -12.871   7.097  -7.158
  731    H1   MUB 101           H1       NAM   6   9.737   8.071  -2.081
  732    H2   MUB 101           H2       NAM   6  11.138   7.878  -0.332
  733    HN2  MUB 101           HN2      NAM   6  10.837   6.043   0.918
  734    H81  MUB 101           H81      NAM   6  10.443   5.484   3.369
  735    H82  MUB 101           H82      NAM   6   9.052   4.736   2.598
  736    H83  MUB 101           H83      NAM   6   8.787   5.883   3.905
  737    H3   MUB 101           H3       NAM   6   8.764   8.821   1.481
  738    H9   MUB 101           H9       NAM   6  11.315   9.590  -0.053
  739   H111  MUB 101          H111      NAM   6  13.310   9.374   2.254
  740   H112  MUB 101          H112      NAM   6  13.759   9.450   0.578
  741   H113  MUB 101          H113      NAM   6  12.766   8.116   1.051
  742    H4A  MUB 101           H4       NAM   6   9.622  10.648  -0.864
  743    H5   MUB 101           H5       NAM   6   6.813   9.615  -0.742
  744    H61  MUB 101           H61      NAM   6   6.777   9.459  -2.975
  745    H62  MUB 101           H62      NAM   6   8.567   9.376  -3.175
  746    HO6  MUB 101           HO6      NAM   6   7.124  11.659  -1.991
  747    H1   NAG 102           H1       NAG   7   8.423  10.513   2.277
  748    H2   NAG 102           H2       NAG   7   6.536  12.858   1.565
  749    H3   NAG 102           H3       NAG   7   6.932  11.576   4.292
  750    H4   NAG 102           H4       NAG   7   4.433  11.302   2.665
  751    H5   NAG 102           H5       NAG   7   6.674   9.075   3.197
  752    H61  NAG 102           H61      NAG   7   4.133   8.833   1.572
  753    H62  NAG 102           H62      NAG   7   4.522   8.104   3.126
  754    H81  NAG 102           H81      NAG   7   9.847  14.703   4.014
  755    H82  NAG 102           H82      NAG   7  10.781  13.975   2.717
  756    H83  NAG 102           H83      NAG   7  10.966  13.346   4.350
  757    HN2  NAG 102           HN2      NAG   7   8.293  13.911   1.960
  758    HO3  NAG 102           HO3      NAG   7   6.196  13.823   3.739
  759    HO4  NAG 102           HO4      NAG   7   4.376  11.159   4.888
  760    HO6  NAG 102           HO6      NAG   7   6.296   7.875   0.961
  Start of MODEL   26
    1    H    ZAE   1           HN1      DPH   1   9.216 -13.961   7.806
    2    HA   ZAE   1           HA       DPH   1   8.076 -14.457   5.865
    3    HB2  ZAE   1           HB1      DPH   1  10.253 -13.063   4.431
    4    HB3  ZAE   1           HB2      DPH   1  10.773 -14.139   5.736
    5    HD1  ZAE   1           HD1      DPH   1  10.018 -16.518   5.713
    6    HD2  ZAE   1           HD2      DPH   1   9.409 -13.911   2.394
    7    HE1  ZAE   1           HE1      DPH   1   9.519 -18.454   4.281
    8    HE2  ZAE   1           HE2      DPH   1   8.915 -15.847   0.965
    9    HZ   ZAE   1           HZ       DPH   1   8.963 -18.117   1.910
   10    H11  ZAE   1          HN11      DPH   1   9.970 -11.428   6.525
   11    H12  ZAE   1          HN12      DPH   1  11.034 -12.752   7.001
   12    H13  ZAE   1          HN13      DPH   1  10.225 -11.785   8.236
   13    HN2  ZAE   1           HN2      DPH   1   8.130 -12.674   7.613
   14    H    ILE   2           HN       ILE   2   7.435 -13.754   3.605
   15    HA   ILE   2           HA       ILE   2   7.161 -10.898   3.274
   16    HB   ILE   2           HB       ILE   2   7.576 -12.169   1.240
   17   HG12  ILE   2          HG12      ILE   2   4.925 -10.809   1.516
   18   HG13  ILE   2          HG11      ILE   2   6.366 -10.201   0.782
   19   HG21  ILE   2          HG21      ILE   2   5.877 -13.713   0.340
   20   HG22  ILE   2          HG22      ILE   2   4.997 -13.587   1.863
   21   HG23  ILE   2          HG23      ILE   2   6.613 -14.291   1.835
   22   HD11  ILE   2          HD11      ILE   2   4.706 -10.569  -0.896
   23   HD12  ILE   2          HD12      ILE   2   4.467 -12.229  -0.350
   24   HD13  ILE   2          HD13      ILE   2   5.985 -11.765  -1.116
   25    H    SER   3           HN       SER   3   5.492  -9.737   3.597
   26    HA   SER   3           HA       SER   3   2.886 -10.948   3.891
   27    HB2  SER   3           HB2      SER   3   2.556  -9.550   6.031
   28    HB3  SER   3           HB1      SER   3   3.432 -11.073   6.148
   29    HG   SER   3           HG       SER   3   5.376  -9.693   5.870
   30    H    DAR   4           HN       DAR   4   1.319  -9.108   4.469
   31    HA   DAR   4           HA       DAR   4   1.860  -6.778   2.746
   32    HB2  DAR   4           HB1      DAR   4   0.215  -7.030   5.256
   33    HB3  DAR   4           HB2      DAR   4   0.353  -5.571   4.291
   34    HG2  DAR   4           HG1      DAR   4   2.639  -6.926   5.714
   35    HG3  DAR   4           HG2      DAR   4   1.744  -5.523   6.310
   36    HD2  DAR   4           HD1      DAR   4   2.391  -4.272   4.313
   37    HD3  DAR   4           HD2      DAR   4   3.313  -5.659   3.746
   38    HE   DAR   4           HE       DAR   4   4.493  -5.245   6.067
   39   HH11  DAR   4          HH21      DAR   4   6.227  -2.198   5.645
   40   HH12  DAR   4          HH22      DAR   4   6.134  -3.723   6.595
   41   HH21  DAR   4          HH11      DAR   4   4.731  -1.798   3.951
   42   HH22  DAR   4          HH12      DAR   4   3.462  -3.017   3.572
   43    HA   28J   5           HA       28J   5  -2.181  -8.010   1.454
   44    H22  28J   5           HB       28J   5  -1.833  -7.796  -1.348
   45    H23  28J   5          HG21      28J   5   0.454  -9.080   0.139
   46    H24  28J   5          HG22      28J   5   0.543  -7.615  -0.836
   47    H25  28J   5          HG23      28J   5   0.192  -9.164  -1.605
   48    H26  28J   5          HG11      28J   5  -3.221  -9.432  -0.065
   49    H27  28J   5          HG12      28J   5  -1.735 -10.200   0.500
   50    H28  28J   5          HD11      28J   5  -1.128 -10.684  -1.808
   51    H29  28J   5          HD12      28J   5  -2.630  -9.940  -2.348
   52    H30  28J   5          HD13      28J   5  -2.677 -11.409  -1.372
   53    H    ILE   6           HN       ILE   6  -3.898  -7.238  -0.315
   54    HA   ILE   6           HA       ILE   6  -3.856  -4.282  -0.283
   55    HB   ILE   6           HB       ILE   6  -3.661  -4.749  -2.615
   56   HG12  ILE   6          HG12      ILE   6  -6.645  -4.443  -2.134
   57   HG13  ILE   6          HG11      ILE   6  -5.503  -3.124  -2.094
   58   HG21  ILE   6          HG21      ILE   6  -4.118  -7.163  -2.521
   59   HG22  ILE   6          HG22      ILE   6  -5.008  -6.380  -3.825
   60   HG23  ILE   6          HG23      ILE   6  -5.841  -6.828  -2.337
   61   HD11  ILE   6          HD11      ILE   6  -7.006  -4.108  -4.242
   62   HD12  ILE   6          HD12      ILE   6  -5.330  -4.514  -4.582
   63   HD13  ILE   6          HD13      ILE   6  -5.778  -2.844  -4.267
   64    H    SER   7           HN       SER   7  -5.203  -3.720   1.284
   65    HA   SER   7           HA       SER   7  -8.026  -4.235   0.704
   66    HB2  SER   7           HB2      SER   7  -6.698  -4.718   3.345
   67    HB3  SER   7           HB1      SER   7  -8.444  -4.579   3.110
   68    HG   SER   7           HG       SER   7  -7.315  -6.272   1.353
   69    H    DTH   8           HN       DTC   8  -9.483  -2.964   1.647
   70    HA   DTH   8           HA       DTC   8  -8.725  -0.262   2.421
   71    HB   DTH   8           HB       DTC   8 -10.205  -0.176   4.345
   72   HG21  DTH   8          HG21      DTC   8  -7.965  -1.145   4.777
   73   HG22  DTH   8          HG22      DTC   8  -8.587  -2.760   4.430
   74   HG23  DTH   8          HG23      DTC   8  -9.187  -1.864   5.824
   75    H    ALA   9           HN       ALA   9 -10.761  -2.441   0.738
   76    HA   ALA   9           HA       ALA   9 -12.247  -0.313  -0.446
   77    HB1  ALA   9           HB1      ALA   9 -13.549  -2.397  -1.366
   78    HB2  ALA   9           HB2      ALA   9 -12.143  -3.260  -0.745
   79    HB3  ALA   9           HB3      ALA   9 -11.938  -1.979  -1.941
   80    H    LEU  10           HN       LEU  10 -13.726  -3.278   0.959
   81    HA   LEU  10           HA       LEU  10 -16.061  -1.771   1.766
   82    HB2  LEU  10           HB2      LEU  10 -15.340  -4.543   2.709
   83    HB3  LEU  10           HB1      LEU  10 -16.926  -3.808   2.645
   84    HG   LEU  10           HG       LEU  10 -17.136  -5.150   0.854
   85   HD11  LEU  10          HD11      LEU  10 -16.586  -3.972  -1.249
   86   HD12  LEU  10          HD12      LEU  10 -15.677  -2.799  -0.296
   87   HD13  LEU  10          HD13      LEU  10 -17.414  -2.974  -0.054
   88   HD21  LEU  10          HD21      LEU  10 -14.692  -5.973   1.195
   89   HD22  LEU  10          HD22      LEU  10 -14.325  -4.893  -0.150
   90   HD23  LEU  10          HD23      LEU  10 -15.477  -6.212  -0.366
   91    H    ILE  11           HN       ILE  11 -13.313  -3.324   3.272
   92    HA   ILE  11           HA       ILE  11 -14.026  -1.918   5.793
   93    HB   ILE  11           HB       ILE  11 -12.224  -4.348   5.551
   94   HG12  ILE  11          HG12      ILE  11 -15.020  -4.210   6.710
   95   HG13  ILE  11          HG11      ILE  11 -14.669  -4.817   5.095
   96   HG21  ILE  11          HG21      ILE  11 -13.348  -2.914   7.955
   97   HG22  ILE  11          HG22      ILE  11 -11.662  -2.921   7.437
   98   HG23  ILE  11          HG23      ILE  11 -12.417  -4.410   8.003
   99   HD11  ILE  11          HD11      ILE  11 -13.666  -5.979   7.688
  100   HD12  ILE  11          HD12      ILE  11 -13.295  -6.592   6.077
  101   HD13  ILE  11          HD13      ILE  11 -14.953  -6.636   6.676
  102    H    ZAE   1           HN1      DPH   1  -9.411   4.264   3.931
  103    HA   ZAE   1           HA       DPH   1  -8.228   4.118   1.992
  104    HB2  ZAE   1           HB1      DPH   1 -10.551   2.250   1.610
  105    HB3  ZAE   1           HB2      DPH   1 -10.747   3.978   1.888
  106    HD1  ZAE   1           HD1      DPH   1  -9.906   5.575   0.310
  107    HD2  ZAE   1           HD2      DPH   1  -9.893   1.407  -0.486
  108    HE1  ZAE   1           HE1      DPH   1  -9.644   6.056  -2.077
  109    HE2  ZAE   1           HE2      DPH   1  -9.627   1.860  -2.894
  110    HZ   ZAE   1           HZ       DPH   1  -9.508   4.198  -3.691
  111    H11  ZAE   1          HN11      DPH   1 -10.003   1.448   3.465
  112    H12  ZAE   1          HN12      DPH   1 -11.116   2.800   3.702
  113    H13  ZAE   1          HN13      DPH   1 -10.188   2.170   5.065
  114    HN2  ZAE   1           HN2      DPH   1  -8.218   3.097   4.251
  115    H    ILE   2           HN       ILE   2  -7.670   2.712   0.051
  116    HA   ILE   2           HA       ILE   2  -7.144  -0.090   0.688
  117    HB   ILE   2           HB       ILE   2  -8.069   0.955  -1.534
  118   HG12  ILE   2          HG12      ILE   2  -5.906  -1.062  -1.968
  119   HG13  ILE   2          HG11      ILE   2  -7.344  -1.484  -1.039
  120   HG21  ILE   2          HG21      ILE   2  -5.491   0.860  -2.802
  121   HG22  ILE   2          HG22      ILE   2  -5.532   2.107  -1.553
  122   HG23  ILE   2          HG23      ILE   2  -6.726   2.117  -2.847
  123   HD11  ILE   2          HD11      ILE   2  -7.733  -2.159  -3.270
  124   HD12  ILE   2          HD12      ILE   2  -7.196  -0.604  -3.912
  125   HD13  ILE   2          HD13      ILE   2  -8.694  -0.709  -2.987
  126    H    SER   3           HN       SER   3  -5.336  -0.818   1.576
  127    HA   SER   3           HA       SER   3  -2.798   0.413   0.875
  128    HB2  SER   3           HB2      SER   3  -2.332   0.381   3.513
  129    HB3  SER   3           HB1      SER   3  -2.901   1.822   2.669
  130    HG   SER   3           HG       SER   3  -4.995   0.292   3.329
  131    H    DAR   4           HN       DAR   4  -1.005  -0.700   1.617
  132    HA   DAR   4           HA       DAR   4  -1.422  -3.578   1.859
  133    HB2  DAR   4           HB1      DAR   4   0.334  -2.034   3.789
  134    HB3  DAR   4           HB2      DAR   4   0.341  -3.778   3.602
  135    HG2  DAR   4           HG1      DAR   4  -1.976  -2.134   4.567
  136    HG3  DAR   4           HG2      DAR   4  -0.898  -3.123   5.562
  137    HD2  DAR   4           HD1      DAR   4  -1.573  -5.105   4.274
  138    HD3  DAR   4           HD2      DAR   4  -2.701  -4.105   3.358
  139    HE   DAR   4           HE       DAR   4  -3.515  -3.630   5.830
  140   HH11  DAR   4          HH21      DAR   4  -4.927  -6.643   6.978
  141   HH12  DAR   4          HH22      DAR   4  -4.865  -4.858   7.206
  142   HH21  DAR   4          HH11      DAR   4  -3.691  -7.638   5.325
  143   HH22  DAR   4          HH12      DAR   4  -2.814  -6.617   4.130
  144    HA   28J   5           HA       28J   5   2.560  -3.363   0.095
  145    H22  28J   5           HB       28J   5   2.273  -4.290  -2.255
  146    H23  28J   5          HG21      28J   5  -0.607  -4.553  -1.390
  147    H24  28J   5          HG22      28J   5   0.466  -5.889  -1.811
  148    H25  28J   5          HG23      28J   5  -0.009  -4.714  -3.038
  149    H26  28J   5          HG11      28J   5   1.903  -1.888  -1.636
  150    H27  28J   5          HG12      28J   5   0.199  -2.262  -1.423
  151    H28  28J   5          HD11      28J   5  -0.050  -2.772  -3.757
  152    H29  28J   5          HD12      28J   5   1.681  -2.565  -4.026
  153    H30  28J   5          HD13      28J   5   0.686  -1.181  -3.575
  154    H    ILE   6           HN       ILE   6   4.188  -4.755  -0.733
  155    HA   ILE   6           HA       ILE   6   4.100  -7.526   0.274
  156    HB   ILE   6           HB       ILE   6   3.988  -8.504  -1.731
  157   HG12  ILE   6          HG12      ILE   6   5.639  -7.788  -3.648
  158   HG13  ILE   6          HG11      ILE   6   6.457  -6.905  -2.380
  159   HG21  ILE   6          HG21      ILE   6   2.548  -6.691  -2.447
  160   HG22  ILE   6          HG22      ILE   6   3.495  -7.266  -3.816
  161   HG23  ILE   6          HG23      ILE   6   3.929  -5.753  -3.016
  162   HD11  ILE   6          HD11      ILE   6   7.628  -8.932  -2.689
  163   HD12  ILE   6          HD12      ILE   6   6.139  -9.882  -2.679
  164   HD13  ILE   6          HD13      ILE   6   6.710  -9.122  -1.194
  165    H    SER   7           HN       SER   7   5.764  -7.714   1.640
  166    HA   SER   7           HA       SER   7   8.464  -7.078   0.725
  167    HB2  SER   7           HB2      SER   7   7.678  -5.869   3.320
  168    HB3  SER   7           HB1      SER   7   8.846  -5.285   2.122
  169    HG   SER   7           HG       SER   7   6.594  -5.180   0.878
  170    H    DTH   8           HN       DTC   8  10.104  -7.844   2.365
  171    HA   DTH   8           HA       DTC   8   8.831  -9.605   4.388
  172    HB   DTH   8           HB       DTC   8  10.668  -9.104   5.942
  173   HG21  DTH   8          HG21      DTC   8   8.695  -7.624   5.916
  174   HG22  DTH   8          HG22      DTC   8   9.472  -6.591   4.715
  175   HG23  DTH   8          HG23      DTC   8  10.151  -6.727   6.338
  176    H    ALA   9           HN       ALA   9  11.005  -9.514   1.776
  177    HA   ALA   9           HA       ALA   9  11.881 -12.117   2.305
  178    HB1  ALA   9           HB1      ALA   9  11.199 -10.549   0.106
  179    HB2  ALA   9           HB2      ALA   9  11.978 -12.125   0.026
  180    HB3  ALA   9           HB3      ALA   9  12.955 -10.656  -0.006
  181    H    LEU  10           HN       LEU  10  13.868  -9.482   1.015
  182    HA   LEU  10           HA       LEU  10  16.183 -10.075   2.476
  183    HB2  LEU  10           HB2      LEU  10  16.793  -7.641   1.763
  184    HB3  LEU  10           HB1      LEU  10  16.603  -8.891   0.551
  185    HG   LEU  10           HG       LEU  10  14.129  -7.982   0.446
  186   HD11  LEU  10          HD11      LEU  10  14.453  -6.501   2.344
  187   HD12  LEU  10          HD12      LEU  10  14.039  -5.602   0.883
  188   HD13  LEU  10          HD13      LEU  10  15.705  -5.641   1.456
  189   HD21  LEU  10          HD21      LEU  10  14.914  -7.516  -1.590
  190   HD22  LEU  10          HD22      LEU  10  16.559  -7.347  -0.978
  191   HD23  LEU  10          HD23      LEU  10  15.464  -5.972  -0.958
  192    H    ILE  11           HN       ILE  11  13.591  -7.941   3.105
  193    HA   ILE  11           HA       ILE  11  14.778  -7.257   5.726
  194    HB   ILE  11           HB       ILE  11  13.409  -5.284   3.880
  195   HG12  ILE  11          HG12      ILE  11  16.025  -5.146   5.404
  196   HG13  ILE  11          HG11      ILE  11  15.873  -5.485   3.685
  197   HG21  ILE  11          HG21      ILE  11  13.922  -5.010   6.841
  198   HG22  ILE  11          HG22      ILE  11  12.353  -5.029   6.036
  199   HG23  ILE  11          HG23      ILE  11  13.463  -3.684   5.773
  200   HD11  ILE  11          HD11      ILE  11  15.034  -2.922   5.032
  201   HD12  ILE  11          HD12      ILE  11  14.985  -3.260   3.302
  202   HD13  ILE  11          HD13      ILE  11  16.534  -3.167   4.139
  203    H    ZAE   1           HN1      DPH   1   9.304  -3.535   2.496
  204    HA   ZAE   1           HA       DPH   1   8.202  -4.062   0.658
  205    HB2  ZAE   1           HB1      DPH   1  10.230  -2.233  -0.650
  206    HB3  ZAE   1           HB2      DPH   1  10.608  -3.841  -0.036
  207    HD1  ZAE   1           HD1      DPH   1   9.243  -5.775  -0.959
  208    HD2  ZAE   1           HD2      DPH   1   9.453  -1.976  -2.858
  209    HE1  ZAE   1           HE1      DPH   1   8.524  -6.803  -3.077
  210    HE2  ZAE   1           HE2      DPH   1   8.745  -3.002  -4.989
  211    HZ   ZAE   1           HZ       DPH   1   8.281  -5.419  -5.095
  212    H11  ZAE   1          HN11      DPH   1  10.440  -1.256   1.046
  213    H12  ZAE   1          HN12      DPH   1  11.247  -2.747   1.537
  214    H13  ZAE   1          HN13      DPH   1  10.742  -1.578   2.755
  215    HN2  ZAE   1           HN2      DPH   1   8.478  -2.064   2.357
  216    H    ILE   2           HN       ILE   2   6.895  -3.470  -1.193
  217    HA   ILE   2           HA       ILE   2   6.345  -0.632  -1.407
  218    HB   ILE   2           HB       ILE   2   6.448  -2.297  -3.400
  219   HG12  ILE   2          HG12      ILE   2   4.185  -0.306  -3.222
  220   HG13  ILE   2          HG11      ILE   2   5.872   0.129  -3.455
  221   HG21  ILE   2          HG21      ILE   2   4.920  -3.974  -2.783
  222   HG22  ILE   2          HG22      ILE   2   4.106  -3.044  -4.044
  223   HG23  ILE   2          HG23      ILE   2   3.684  -2.795  -2.351
  224   HD11  ILE   2          HD11      ILE   2   5.157   0.174  -5.596
  225   HD12  ILE   2          HD12      ILE   2   3.937  -1.074  -5.338
  226   HD13  ILE   2          HD13      ILE   2   5.636  -1.520  -5.493
  227    H    SER   3           HN       SER   3   4.962   0.357  -0.366
  228    HA   SER   3           HA       SER   3   2.477  -0.836   0.430
  229    HB2  SER   3           HB2      SER   3   2.999   0.277   2.807
  230    HB3  SER   3           HB1      SER   3   3.286  -1.421   2.457
  231    HG   SER   3           HG       SER   3   5.430   0.083   1.767
  232    H    DAR   4           HN       DAR   4   1.012   0.632   1.223
  233    HA   DAR   4           HA       DAR   4   1.409   3.321   0.137
  234    HB2  DAR   4           HB1      DAR   4   0.407   2.659   2.906
  235    HB3  DAR   4           HB2      DAR   4   0.118   4.206   2.130
  236    HG2  DAR   4           HG1      DAR   4   2.814   3.055   2.819
  237    HG3  DAR   4           HG2      DAR   4   1.966   4.340   3.684
  238    HD2  DAR   4           HD1      DAR   4   2.018   5.723   1.665
  239    HD3  DAR   4           HD2      DAR   4   2.908   4.454   0.826
  240    HE   DAR   4           HE       DAR   4   4.489   4.907   2.924
  241   HH11  DAR   4          HH21      DAR   4   5.973   8.015   2.194
  242   HH12  DAR   4          HH22      DAR   4   6.121   6.491   3.141
  243   HH21  DAR   4          HH11      DAR   4   4.156   8.350   0.823
  244   HH22  DAR   4          HH12      DAR   4   2.899   7.072   0.671
  245    HA   28J   5           HA       28J   5  -2.945   2.686  -0.232
  246    H22  28J   5           HB       28J   5  -3.254   3.166  -2.853
  247    H23  28J   5          HG21      28J   5  -1.257   2.765  -4.106
  248    H24  28J   5          HG22      28J   5  -0.322   2.509  -2.632
  249    H25  28J   5          HG23      28J   5  -0.953   4.113  -3.008
  250    H26  28J   5          HG11      28J   5  -3.470   0.993  -1.598
  251    H27  28J   5          HG12      28J   5  -1.742   0.754  -1.828
  252    H28  28J   5          HD11      28J   5  -3.265  -0.445  -3.437
  253    H29  28J   5          HD12      28J   5  -1.978   0.522  -4.157
  254    H30  28J   5          HD13      28J   5  -3.631   1.136  -4.127
  255    H    ILE   6           HN       ILE   6  -4.899   3.812  -0.751
  256    HA   ILE   6           HA       ILE   6  -4.547   6.712  -0.728
  257    HB   ILE   6           HB       ILE   6  -4.468   6.288  -3.097
  258   HG12  ILE   6          HG12      ILE   6  -5.834   8.265  -2.170
  259   HG13  ILE   6          HG11      ILE   6  -5.933   7.899  -3.887
  260   HG21  ILE   6          HG21      ILE   6  -6.443   5.451  -4.379
  261   HG22  ILE   6          HG22      ILE   6  -7.088   4.826  -2.864
  262   HG23  ILE   6          HG23      ILE   6  -5.547   4.227  -3.482
  263   HD11  ILE   6          HD11      ILE   6  -8.067   6.761  -3.494
  264   HD12  ILE   6          HD12      ILE   6  -8.105   8.439  -2.951
  265   HD13  ILE   6          HD13      ILE   6  -7.935   7.136  -1.776
  266    H    SER   7           HN       SER   7  -5.872   7.590   0.740
  267    HA   SER   7           HA       SER   7  -8.649   6.785   0.795
  268    HB2  SER   7           HB2      SER   7  -7.502   6.609   3.480
  269    HB3  SER   7           HB1      SER   7  -8.719   5.591   2.703
  270    HG   SER   7           HG       SER   7  -6.331   5.319   1.532
  271    H    DTH   8           HN       DTC   8  -9.987   8.034   2.086
  272    HA   DTH   8           HA       DTC   8  -8.940  10.695   2.730
  273    HB   DTH   8           HB       DTC   8 -10.162  10.766   4.896
  274   HG21  DTH   8          HG21      DTC   8  -7.802   9.952   4.823
  275   HG22  DTH   8          HG22      DTC   8  -8.390   8.300   4.624
  276   HG23  DTH   8          HG23      DTC   8  -8.728   9.183   6.111
  277    H    ALA   9           HN       ALA   9 -11.754   8.867   1.676
  278    HA   ALA   9           HA       ALA   9 -13.327  11.305   1.260
  279    HB1  ALA   9           HB1      ALA   9 -14.731   8.804   0.704
  280    HB2  ALA   9           HB2      ALA   9 -13.205   8.925  -0.172
  281    HB3  ALA   9           HB3      ALA   9 -14.422  10.183  -0.351
  282    H    LEU  10           HN       LEU  10 -14.015   8.065   2.260
  283    HA   LEU  10           HA       LEU  10 -16.139   8.968   4.025
  284    HB2  LEU  10           HB2      LEU  10 -16.283   6.433   4.521
  285    HB3  LEU  10           HB1      LEU  10 -16.775   7.019   2.945
  286    HG   LEU  10           HG       LEU  10 -14.310   6.425   2.263
  287   HD11  LEU  10          HD11      LEU  10 -13.653   5.912   4.583
  288   HD12  LEU  10          HD12      LEU  10 -13.384   4.584   3.454
  289   HD13  LEU  10          HD13      LEU  10 -14.763   4.542   4.552
  290   HD21  LEU  10          HD21      LEU  10 -15.083   3.973   1.974
  291   HD22  LEU  10          HD22      LEU  10 -15.943   5.256   1.125
  292   HD23  LEU  10          HD23      LEU  10 -16.624   4.561   2.597
  293    H    ILE  11           HN       ILE  11 -12.917   7.643   4.154
  294    HA   ILE  11           HA       ILE  11 -13.059   8.091   7.095
  295    HB   ILE  11           HB       ILE  11 -11.580   5.902   5.629
  296   HG12  ILE  11          HG12      ILE  11 -13.234   5.833   8.169
  297   HG13  ILE  11          HG11      ILE  11 -13.896   5.502   6.572
  298   HG21  ILE  11          HG21      ILE  11 -11.074   6.804   8.460
  299   HG22  ILE  11          HG22      ILE  11  -9.999   7.116   7.099
  300   HG23  ILE  11          HG23      ILE  11 -10.294   5.460   7.628
  301   HD11  ILE  11          HD11      ILE  11 -11.746   3.924   7.976
  302   HD12  ILE  11          HD12      ILE  11 -12.363   3.593   6.358
  303   HD13  ILE  11          HD13      ILE  11 -13.428   3.443   7.756
  304    H    ZAE   1           HN1      DPH   1  -8.355  15.181   5.402
  305    HA   ZAE   1           HA       DPH   1  -7.515  15.161   3.229
  306    HB2  ZAE   1           HB1      DPH   1 -10.039  13.601   2.828
  307    HB3  ZAE   1           HB2      DPH   1 -10.112  15.156   3.648
  308    HD1  ZAE   1           HD1      DPH   1  -9.247  17.210   2.428
  309    HD2  ZAE   1           HD2      DPH   1  -9.897  13.460   0.501
  310    HE1  ZAE   1           HE1      DPH   1  -9.297  18.344   0.236
  311    HE2  ZAE   1           HE2      DPH   1  -9.953  14.586  -1.682
  312    HZ   ZAE   1           HZ       DPH   1  -9.649  17.030  -1.823
  313    H11  ZAE   1          HN11      DPH   1  -8.988  12.317   5.202
  314    H12  ZAE   1          HN12      DPH   1 -10.175  13.607   5.014
  315    H13  ZAE   1          HN13      DPH   1  -9.330  13.406   6.548
  316    HN2  ZAE   1           HN2      DPH   1  -7.236  13.911   5.350
  317    H    ILE   2           HN       ILE   2  -7.446  13.912   1.085
  318    HA   ILE   2           HA       ILE   2  -7.159  11.043   1.343
  319    HB   ILE   2           HB       ILE   2  -8.159  12.053  -0.714
  320   HG12  ILE   2          HG12      ILE   2  -5.712  10.319  -0.927
  321   HG13  ILE   2          HG11      ILE   2  -7.403   9.864  -1.056
  322   HG21  ILE   2          HG21      ILE   2  -6.757  14.055  -0.847
  323   HG22  ILE   2          HG22      ILE   2  -6.759  13.154  -2.364
  324   HG23  ILE   2          HG23      ILE   2  -5.374  13.050  -1.281
  325   HD11  ILE   2          HD11      ILE   2  -5.860  11.444  -3.092
  326   HD12  ILE   2          HD12      ILE   2  -7.543  10.933  -3.229
  327   HD13  ILE   2          HD13      ILE   2  -6.255   9.729  -3.188
  328    H    SER   3           HN       SER   3  -5.292   9.982   1.635
  329    HA   SER   3           HA       SER   3  -2.783  11.221   0.929
  330    HB2  SER   3           HB2      SER   3  -1.832  10.540   3.249
  331    HB3  SER   3           HB1      SER   3  -2.656  12.081   3.069
  332    HG   SER   3           HG       SER   3  -4.578  10.796   3.815
  333    H    DAR   4           HN       DAR   4  -0.941   9.680   1.616
  334    HA   DAR   4           HA       DAR   4  -1.736   6.999   0.708
  335    HB2  DAR   4           HB1      DAR   4   0.432   7.641   2.693
  336    HB3  DAR   4           HB2      DAR   4  -0.073   6.039   2.164
  337    HG2  DAR   4           HG1      DAR   4  -1.887   7.980   3.551
  338    HG3  DAR   4           HG2      DAR   4  -0.932   6.754   4.393
  339    HD2  DAR   4           HD1      DAR   4  -2.021   5.027   2.989
  340    HD3  DAR   4           HD2      DAR   4  -3.047   6.287   2.298
  341    HE   DAR   4           HE       DAR   4  -3.620   6.668   4.788
  342   HH11  DAR   4          HH21      DAR   4  -5.038   3.764   6.150
  343   HH12  DAR   4          HH22      DAR   4  -4.846   5.544   6.335
  344   HH21  DAR   4          HH11      DAR   4  -4.044   2.672   4.391
  345   HH22  DAR   4          HH12      DAR   4  -3.166   3.611   3.132
  346    HA   28J   5           HA       28J   5   1.937   7.456  -1.584
  347    H22  28J   5           HB       28J   5   1.202   6.867  -4.092
  348    H23  28J   5          HG21      28J   5  -1.112   7.426  -4.504
  349    H24  28J   5          HG22      28J   5  -1.386   7.714  -2.786
  350    H25  28J   5          HG23      28J   5  -1.035   6.084  -3.363
  351    H26  28J   5          HG11      28J   5   2.013   9.062  -3.387
  352    H27  28J   5          HG12      28J   5   0.480   9.401  -2.590
  353    H28  28J   5          HD11      28J   5   0.892  10.478  -4.855
  354    H29  28J   5          HD12      28J   5  -0.652   9.659  -4.613
  355    H30  28J   5          HD13      28J   5   0.628   8.872  -5.536
  356    H    ILE   6           HN       ILE   6   3.042   6.091  -3.300
  357    HA   ILE   6           HA       ILE   6   2.922   3.231  -2.580
  358    HB   ILE   6           HB       ILE   6   2.021   3.397  -4.761
  359   HG12  ILE   6          HG12      ILE   6   4.982   2.901  -5.054
  360   HG13  ILE   6          HG11      ILE   6   3.736   1.720  -4.686
  361   HG21  ILE   6          HG21      ILE   6   4.255   5.295  -5.559
  362   HG22  ILE   6          HG22      ILE   6   2.614   5.789  -5.144
  363   HG23  ILE   6          HG23      ILE   6   2.898   4.785  -6.565
  364   HD11  ILE   6          HD11      ILE   6   4.348   1.434  -6.918
  365   HD12  ILE   6          HD12      ILE   6   4.179   3.160  -7.250
  366   HD13  ILE   6          HD13      ILE   6   2.755   2.183  -6.894
  367    H    SER   7           HN       SER   7   4.912   2.863  -1.348
  368    HA   SER   7           HA       SER   7   7.343   3.388  -2.844
  369    HB2  SER   7           HB2      SER   7   7.683   4.271  -0.067
  370    HB3  SER   7           HB1      SER   7   8.371   4.926  -1.555
  371    HG   SER   7           HG       SER   7   6.215   5.767  -1.962
  372    H    DTH   8           HN       DTC   8   9.257   3.000  -0.962
  373    HA   DTH   8           HA       DTC   8   8.714   0.360   0.217
  374    HB   DTH   8           HB       DTC   8  10.617   0.618   1.668
  375   HG21  DTH   8          HG21      DTC   8   8.606   1.971   2.267
  376   HG22  DTH   8          HG22      DTC   8   9.294   3.347   1.402
  377   HG23  DTH   8          HG23      DTC   8  10.109   2.704   2.827
  378    H    ALA   9           HN       ALA   9   9.528   1.237  -2.724
  379    HA   ALA   9           HA       ALA   9  10.989  -1.017  -3.473
  380    HB1  ALA   9           HB1      ALA   9  11.325  -0.040  -5.600
  381    HB2  ALA   9           HB2      ALA   9  11.190   1.591  -4.956
  382    HB3  ALA   9           HB3      ALA   9   9.769   0.556  -5.039
  383    H    LEU  10           HN       LEU  10  12.113   2.295  -3.036
  384    HA   LEU  10           HA       LEU  10  14.892   1.377  -3.205
  385    HB2  LEU  10           HB2      LEU  10  13.805   4.164  -2.773
  386    HB3  LEU  10           HB1      LEU  10  15.495   3.751  -2.979
  387    HG   LEU  10           HG       LEU  10  15.179   3.139  -5.250
  388   HD11  LEU  10          HD11      LEU  10  13.222   1.934  -5.338
  389   HD12  LEU  10          HD12      LEU  10  12.788   3.415  -6.190
  390   HD13  LEU  10          HD13      LEU  10  12.288   3.183  -4.516
  391   HD21  LEU  10          HD21      LEU  10  15.167   5.610  -4.617
  392   HD22  LEU  10          HD22      LEU  10  13.434   5.561  -4.946
  393   HD23  LEU  10          HD23      LEU  10  14.588   5.179  -6.223
  394    H    ILE  11           HN       ILE  11  12.844   3.182  -0.974
  395    HA   ILE  11           HA       ILE  11  14.672   2.188   1.154
  396    HB   ILE  11           HB       ILE  11  13.098   4.763   1.359
  397   HG12  ILE  11          HG12      ILE  11  16.078   4.670   0.947
  398   HG13  ILE  11          HG11      ILE  11  15.007   4.651  -0.449
  399   HG21  ILE  11          HG21      ILE  11  15.350   3.563   2.957
  400   HG22  ILE  11          HG22      ILE  11  13.673   3.744   3.467
  401   HG23  ILE  11          HG23      ILE  11  14.679   5.171   3.219
  402   HD11  ILE  11          HD11      ILE  11  15.005   6.784   1.676
  403   HD12  ILE  11          HD12      ILE  11  14.092   6.787   0.168
  404   HD13  ILE  11          HD13      ILE  11  15.852   6.898   0.134
  405    H1   ALA   1           HN       ALA   1 -13.537 -12.078   3.063
  406    HA   ALA   1           HA       ALA   1 -14.250 -13.056   5.573
  407    HB1  ALA   1           HB1      ALA   1 -13.621 -10.938   6.490
  408    HB2  ALA   1           HB2      ALA   1 -15.381 -11.082   6.552
  409    HB3  ALA   1           HB3      ALA   1 -14.618 -10.091   5.306
  410    H    DGL   2           HN       DGL   2 -16.267 -10.311   4.631
  411    HA   DGL   2           HA       DGL   2 -18.172 -10.222   3.327
  412    HB2  DGL   2           HB1      DGL   2 -19.254 -12.905   3.520
  413    HB3  DGL   2           HB2      DGL   2 -19.850 -11.543   4.461
  414    HG2  DGL   2           HG1      DGL   2 -19.064 -12.479   6.360
  415    HG3  DGL   2           HG2      DGL   2 -17.449 -12.661   5.699
  416    H    LYS   3           HN       LYS   3 -18.422 -14.377   3.520
  417    HA   LYS   3           HA       LYS   3 -18.717 -16.453   2.968
  418    HB2  LYS   3           HB2      LYS   3 -17.139 -16.552   5.415
  419    HB3  LYS   3           HB1      LYS   3 -17.869 -18.106   4.973
  420    HG2  LYS   3           HG2      LYS   3 -16.055 -16.327   3.353
  421    HG3  LYS   3           HG1      LYS   3 -15.794 -17.992   3.823
  422    HD2  LYS   3           HD2      LYS   3 -16.424 -18.619   1.734
  423    HD3  LYS   3           HD1      LYS   3 -18.016 -18.233   2.313
  424    HE2  LYS   3           HE2      LYS   3 -16.325 -16.177   0.877
  425    HE3  LYS   3           HE1      LYS   3 -17.631 -17.378   0.125
  426    HZ1  LYS   3           HZ1      LYS   3 -18.328 -14.898   1.608
  427    HZ2  LYS   3           HZ2      LYS   3 -19.253 -16.098   0.898
  428    HZ3  LYS   3           HZ3      LYS   3 -18.324 -15.094  -0.078
  429    H    DAL   4           HN       DAL   4 -20.686 -14.905   4.163
  430    HA   DAL   4           HA       DAL   4 -23.222 -14.882   4.865
  431    HB1  DAL   4           HB1      DAL   4 -23.283 -17.657   5.613
  432    HB2  DAL   4           HB2      DAL   4 -24.472 -16.386   5.839
  433    HB3  DAL   4           HB3      DAL   4 -22.951 -16.328   6.737
  434    H    DAL   5           HN       DAL   5 -22.049 -14.148   2.509
  435    HA   DAL   5           HA       DAL   5 -22.642 -13.547  -0.023
  436    HB1  DAL   5           HB1      DAL   5 -24.706 -15.565   1.181
  437    HB2  DAL   5           HB2      DAL   5 -24.730 -15.026  -0.483
  438    HB3  DAL   5           HB3      DAL   5 -25.000 -13.859   0.802
  439    H1   ALA   1           HN       ALA   1  13.469  -6.295  -8.587
  440    HA   ALA   1           HA       ALA   1  14.252  -4.379 -10.445
  441    HB1  ALA   1           HB1      ALA   1  13.857  -2.834  -8.502
  442    HB2  ALA   1           HB2      ALA   1  15.491  -2.769  -9.173
  443    HB3  ALA   1           HB3      ALA   1  15.184  -3.650  -7.676
  444    H    DGL   2           HN       DGL   2  16.928  -3.855  -8.845
  445    HA   DGL   2           HA       DGL   2  18.606  -5.042  -8.054
  446    HB2  DGL   2           HB1      DGL   2  19.526  -6.769 -10.072
  447    HB3  DGL   2           HB2      DGL   2  19.299  -5.122 -10.646
  448    HG2  DGL   2           HG1      DGL   2  17.696  -5.787 -12.145
  449    HG3  DGL   2           HG2      DGL   2  16.831  -6.739 -10.954
  450    H    LYS   3           HN       LYS   3  18.599  -8.696 -10.312
  451    HA   LYS   3           HA       LYS   3  19.169 -10.732 -10.861
  452    HB2  LYS   3           HB2      LYS   3  17.711  -9.976 -13.334
  453    HB3  LYS   3           HB1      LYS   3  18.557 -11.534 -13.288
  454    HG2  LYS   3           HG2      LYS   3  16.355 -10.499 -11.518
  455    HG3  LYS   3           HG1      LYS   3  16.394 -11.976 -12.456
  456    HD2  LYS   3           HD2      LYS   3  16.869 -13.122 -10.557
  457    HD3  LYS   3           HD1      LYS   3  18.434 -12.384 -10.718
  458    HE2  LYS   3           HE1      LYS   3  16.473 -10.722  -9.245
  459    HE3  LYS   3           HE2      LYS   3  17.166 -12.354  -8.491
  460    HZ1  LYS   3           HZ1      LYS   3  18.594  -9.749  -8.657
  461    HZ2  LYS   3           HZ2      LYS   3  19.269 -11.285  -8.337
  462    HZ3  LYS   3           HZ3      LYS   3  18.119 -10.636  -7.290
  463    H    DAL   4           HN       DAL   4  20.982  -9.668 -10.249
  464    HA   DAL   4           HA       DAL   4  23.621  -8.909 -10.864
  465    HB1  DAL   4           HB1      DAL   4  23.860 -11.045 -12.766
  466    HB2  DAL   4           HB2      DAL   4  25.018  -9.833 -12.243
  467    HB3  DAL   4           HB3      DAL   4  23.624  -9.347 -13.217
  468    H    DAL   5           HN       DAL   5  22.256  -9.191  -8.579
  469    HA   DAL   5           HA       DAL   5  22.530  -9.850  -6.003
  470    HB1  DAL   5           HB1      DAL   5  24.591 -11.454  -7.724
  471    HB2  DAL   5           HB2      DAL   5  24.489 -11.456  -5.978
  472    HB3  DAL   5           HB3      DAL   5  24.952  -9.981  -6.808
  473    H1   ALA   1           HN       ALA   1 -18.385   0.522  -3.416
  474    HA   ALA   1           HA       ALA   1 -19.375  -1.781  -4.642
  475    HB1  ALA   1           HB1      ALA   1 -17.514  -2.502  -2.391
  476    HB2  ALA   1           HB2      ALA   1 -17.050  -2.598  -4.093
  477    HB3  ALA   1           HB3      ALA   1 -18.385  -3.577  -3.484
  478    H    DGL   2           HN       DGL   2 -19.458  -3.412  -2.063
  479    HA   DGL   2           HA       DGL   2 -20.518  -3.384   0.038
  480    HB2  DGL   2           HB1      DGL   2 -22.807  -2.014  -0.053
  481    HB3  DGL   2           HB2      DGL   2 -22.706  -3.555  -0.897
  482    HG2  DGL   2           HG1      DGL   2 -23.296  -2.511  -2.829
  483    HG3  DGL   2           HG2      DGL   2 -21.881  -1.479  -2.742
  484    H    LYS   3           HN       LYS   3 -22.106   0.525  -1.537
  485    HA   LYS   3           HA       LYS   3 -22.998   2.476  -1.187
  486    HB2  LYS   3           HB2      LYS   3 -24.187   1.632  -3.428
  487    HB3  LYS   3           HB1      LYS   3 -25.618   2.030  -2.460
  488    HG2  LYS   3           HG2      LYS   3 -23.280   3.777  -3.214
  489    HG3  LYS   3           HG1      LYS   3 -24.976   4.036  -3.555
  490    HD2  LYS   3           HD2      LYS   3 -25.119   5.457  -1.799
  491    HD3  LYS   3           HD1      LYS   3 -24.901   4.036  -0.821
  492    HE2  LYS   3           HE1      LYS   3 -22.828   6.103  -1.546
  493    HE3  LYS   3           HE2      LYS   3 -23.398   5.324   0.123
  494    HZ1  LYS   3           HZ1      LYS   3 -21.580   3.663  -1.319
  495    HZ2  LYS   3           HZ2      LYS   3 -21.741   4.182   0.265
  496    HZ3  LYS   3           HZ3      LYS   3 -20.906   5.143  -0.832
  497    H    DAL   4           HN       DAL   4 -23.030   0.439   0.543
  498    HA   DAL   4           HA       DAL   4 -24.003  -0.383   2.906
  499    HB1  DAL   4           HB1      DAL   4 -26.069   1.610   2.997
  500    HB2  DAL   4           HB2      DAL   4 -25.710   0.288   4.096
  501    HB3  DAL   4           HB3      DAL   4 -26.311  -0.066   2.472
  502    H    DAL   5           HN       DAL   5 -21.558   0.589   1.732
  503    HA   DAL   5           HA       DAL   5 -19.099   1.309   2.514
  504    HB1  DAL   5           HB1      DAL   5 -20.016   0.541   4.771
  505    HB2  DAL   5           HB2      DAL   5 -21.236   1.789   4.666
  506    HB3  DAL   5           HB3      DAL   5 -19.571   2.243   4.985
  507    H1   ALA   1           HN       ALA   1   8.878   6.620 -10.952
  508    HA   ALA   1           HA       ALA   1   8.163   5.934 -13.549
  509    HB1  ALA   1           HB1      ALA   1   7.931   3.659 -12.657
  510    HB2  ALA   1           HB2      ALA   1   6.388   4.318 -13.215
  511    HB3  ALA   1           HB3      ALA   1   6.753   4.264 -11.491
  512    H    DGL   2           HN       DGL   2   5.999   6.602 -14.216
  513    HA   DGL   2           HA       DGL   2   4.037   7.675 -13.927
  514    HB2  DGL   2           HB1      DGL   2   4.254   9.904 -12.344
  515    HB3  DGL   2           HB2      DGL   2   4.840   9.939 -13.998
  516    HG2  DGL   2           HG1      DGL   2   7.053  10.058 -13.313
  517    HG3  DGL   2           HG2      DGL   2   6.802   9.040 -11.910
  518    H    LYS   3           HN       LYS   3   5.108  10.263 -10.346
  519    HA   LYS   3           HA       LYS   3   4.829  11.780  -8.813
  520    HB2  LYS   3           HB2      LYS   3   7.320  11.411  -8.699
  521    HB3  LYS   3           HB1      LYS   3   7.498  13.021  -9.422
  522    HG2  LYS   3           HG2      LYS   3   5.515  13.285  -7.443
  523    HG3  LYS   3           HG1      LYS   3   6.738  12.256  -6.729
  524    HD2  LYS   3           HD2      LYS   3   7.304  14.492  -6.026
  525    HD3  LYS   3           HD1      LYS   3   8.448  13.920  -7.203
  526    HE2  LYS   3           HE1      LYS   3   7.707  16.403  -7.352
  527    HE3  LYS   3           HE2      LYS   3   7.700  15.252  -8.898
  528    HZ1  LYS   3           HZ1      LYS   3   5.990  17.261  -8.695
  529    HZ2  LYS   3           HZ2      LYS   3   5.165  16.051  -7.816
  530    HZ3  LYS   3           HZ3      LYS   3   5.651  15.756  -9.402
  531    H    DAL   4           HN       DAL   4   3.140  12.199  -9.989
  532    HA   DAL   4           HA       DAL   4   1.138  13.723 -10.569
  533    HB1  DAL   4           HB1      DAL   4   2.603  14.719 -12.835
  534    HB2  DAL   4           HB2      DAL   4   0.883  14.758 -12.485
  535    HB3  DAL   4           HB3      DAL   4   1.670  13.212 -12.823
  536    H    DAL   5           HN       DAL   5   1.333  14.242  -8.210
  537    HA   DAL   5           HA       DAL   5   1.185  15.899  -6.121
  538    HB1  DAL   5           HB1      DAL   5  -0.041  17.210  -7.938
  539    HB2  DAL   5           HB2      DAL   5   1.436  17.247  -8.874
  540    HB3  DAL   5           HB3      DAL   5   1.300  18.259  -7.444
  541    H12  P1W 103           H12      TPL  10 -10.799  -3.228  -2.573
  542    H11  P1W 103           H11      TPL  10 -11.921  -4.233  -3.494
  543    H2   P1W 103           H2       TPL  10  -9.089  -4.737  -4.188
  544    H43  P1W 103           H42      TPL  10  -8.004  -2.708  -6.100
  545    H42  P1W 103           H41      TPL  10  -8.664  -4.270  -6.550
  546    H51  P1W 103           H51      TPL  10 -10.356  -1.162  -5.837
  547    H52  P1W 103           H52      TPL  10 -11.000  -1.629  -4.261
  548    H53  P1W 103           H53      TPL  10 -11.764  -2.221  -5.739
  549    H12  P1W 104           H12      TPL  11  -9.337  -3.443  -8.442
  550    H11  P1W 104           H11      TPL  11 -10.469  -2.421  -7.558
  551    H2   P1W 104           H2       TPL  11  -7.581  -1.632  -8.166
  552    H43  P1W 104           H42      TPL  11  -7.430   0.548  -9.269
  553    H42  P1W 104           H41      TPL  11  -8.914   1.301  -9.855
  554    H51  P1W 104           H51      TPL  11 -11.102  -1.063  -9.323
  555    H52  P1W 104           H52      TPL  11 -10.934   0.692  -9.282
  556    H53  P1W 104           H53      TPL  11 -11.202  -0.203  -7.790
  557    H12  P1W 105           H12      TPL  11  11.700 -12.281  -3.502
  558    H11  P1W 105           H11      TPL  11  12.051 -13.733  -4.433
  559    H2   P1W 105           H2       TPL  11  12.221 -14.397  -1.602
  560    H43  P1W 105           H42      TPL  11  10.275 -15.236  -0.354
  561    H42  P1W 105           H41      TPL  11   8.720 -14.473  -0.691
  562    H51  P1W 105           H51      TPL  11   9.474 -13.576  -4.128
  563    H52  P1W 105           H52      TPL  11   9.213 -12.392  -2.846
  564    H53  P1W 105           H53      TPL  11   8.210 -13.834  -2.933
  565    H12  P1W 106           H12      TPL  12  -9.281   1.830  -7.305
  566    H11  P1W 106           H11      TPL  12  -7.535   1.618  -7.221
  567    H2   P1W 106           H2       TPL  12  -9.048   3.681  -8.862
  568    H43  P1W 106           H43      TPL  12  -7.861   5.709  -9.270
  569    H41  P1W 106           H41      TPL  12  -6.202   5.354  -9.758
  570    H42  P1W 106           H42      TPL  12  -6.526   6.037  -8.164
  571    H51  P1W 106           H51      TPL  12  -4.920   4.078  -7.970
  572    H52  P1W 106           H52      TPL  12  -5.555   2.434  -8.054
  573    H53  P1W 106           H53      TPL  12  -5.859   3.425  -6.626
  574    H12  P1W 107           H12      TPL  12   8.223 -16.700  -1.069
  575    H11  P1W 107           H11      TPL  12   8.675 -16.189  -2.695
  576    H2   P1W 107           H2       TPL  12  10.418 -17.693  -0.706
  577    H43  P1W 107           H43      TPL  12  11.292 -19.988  -2.717
  578    H41  P1W 107           H41      TPL  12  12.302 -18.851  -1.820
  579    H42  P1W 107           H42      TPL  12  12.363 -18.885  -3.585
  580    H51  P1W 107           H51      TPL  12  10.690 -18.217  -4.905
  581    H52  P1W 107           H52      TPL  12  10.174 -16.610  -4.391
  582    H53  P1W 107           H53      TPL  12   9.058 -17.973  -4.278
  583    H12  P1W 103           H12      TPL  10  14.294  -9.464  -1.255
  584    H11  P1W 103           H11      TPL  10  13.494  -8.560  -2.542
  585    H2   P1W 103           H2       TPL  10  12.510 -10.654  -3.422
  586    H43  P1W 103           H42      TPL  10  14.172 -12.899  -4.159
  587    H42  P1W 103           H41      TPL  10  14.057 -13.902  -2.710
  588    H51  P1W 103           H51      TPL  10  14.288 -12.793  -0.470
  589    H52  P1W 103           H52      TPL  10  14.894 -11.141  -0.595
  590    H53  P1W 103           H53      TPL  10  15.726 -12.453  -1.435
  591    H12  P1W 103           H12      TPL  10 -15.833   6.178  -0.665
  592    H11  P1W 103           H11      TPL  10 -14.421   6.331  -1.695
  593    H2   P1W 103           H2       TPL  10 -16.755   8.065  -1.643
  594    H43  P1W 103           H42      TPL  10 -16.112   9.669  -4.187
  595    H42  P1W 103           H41      TPL  10 -16.362  10.454  -2.627
  596    H51  P1W 103           H51      TPL  10 -12.935   9.219  -2.552
  597    H52  P1W 103           H52      TPL  10 -13.511   8.511  -4.059
  598    H53  P1W 103           H53      TPL  10 -13.319   7.499  -2.623
  599    H12  P1W 103           H12      TPL  10   9.973   8.344  -1.055
  600    H11  P1W 103           H11      TPL  10   9.165   6.781  -0.878
  601    H2   P1W 103           H2       TPL  10   9.483   7.416  -3.684
  602    H43  P1W 103           H42      TPL  10   7.403   9.638  -4.604
  603    H42  P1W 103           H41      TPL  10   7.657   7.914  -4.899
  604    H51  P1W 103           H51      TPL  10   7.963   9.513  -0.978
  605    H52  P1W 103           H52      TPL  10   6.427   8.717  -1.322
  606    H53  P1W 103           H53      TPL  10   6.833  10.235  -2.129
  607    H12  P1W 104           H12      TPL  11 -13.686  10.503  -4.008
  608    H11  P1W 104           H11      TPL  11 -14.928  11.688  -4.397
  609    H2   P1W 104           H2       TPL  11 -14.929  11.901  -1.668
  610    H43  P1W 104           H42      TPL  11 -12.066  12.274  -0.133
  611    H42  P1W 104           H41      TPL  11 -11.764  13.679  -1.156
  612    H51  P1W 104           H51      TPL  11 -10.786  12.182  -2.566
  613    H52  P1W 104           H52      TPL  11 -11.840  12.013  -3.971
  614    H53  P1W 104           H53      TPL  11 -11.558  10.636  -2.909
  615    H12  P1W 105           H12      TPL  11   5.628   7.478  -3.491
  616    H11  P1W 105           H11      TPL  11   5.298   9.209  -3.532
  617    H2   P1W 105           H2       TPL  11   4.975   7.203  -5.756
  618    H43  P1W 105           H42      TPL  11   3.286  10.036  -7.641
  619    H42  P1W 105           H41      TPL  11   4.525   8.900  -8.170
  620    H51  P1W 105           H51      TPL  11   4.110  11.330  -6.291
  621    H52  P1W 105           H52      TPL  11   5.458  10.928  -5.225
  622    H53  P1W 105           H53      TPL  11   3.800  10.718  -4.668
  623    H12  P1W 106           H12      TPL  12 -14.431  13.827  -1.040
  624    H11  P1W 106           H11      TPL  12 -14.144  12.999   0.488
  625    H2   P1W 106           H2       TPL  12 -12.866  15.636  -0.317
  626    H43  P1W 106           H43      TPL  12 -11.894  16.646   2.246
  627    H41  P1W 106           H41      TPL  12 -13.342  16.686   3.255
  628    H42  P1W 106           H42      TPL  12 -13.377  17.380   1.633
  629    H51  P1W 106           H51      TPL  12 -13.274  13.454   2.848
  630    H52  P1W 106           H52      TPL  12 -14.916  13.892   2.375
  631    H53  P1W 106           H53      TPL  12 -14.099  14.789   3.655
  632    H12  P1W 107           H12      TPL  12   3.251   7.040  -7.492
  633    H11  P1W 107           H11      TPL  12   2.164   8.028  -6.518
  634    H2   P1W 107           H2       TPL  12   1.742   9.138  -8.981
  635    H43  P1W 107           H43      TPL  12  -0.566   6.695 -10.362
  636    H41  P1W 107           H41      TPL  12   0.830   7.124 -11.354
  637    H42  P1W 107           H42      TPL  12  -0.029   8.374 -10.452
  638    H51  P1W 107           H51      TPL  12   0.890   5.487  -7.892
  639    H52  P1W 107           H52      TPL  12   2.418   5.411  -8.770
  640    H53  P1W 107           H53      TPL  12   0.909   5.018  -9.593
  641    H1   MUB 101           H1       NAM   6 -12.206  -7.798   2.906
  642    H2   MUB 101           H2       NAM   6 -10.387  -9.199   2.654
  643    HN2  MUB 101           HN2      NAM   6  -9.065  -8.636   0.850
  644    H81  MUB 101           H81      NAM   6  -9.687  -9.484  -2.635
  645    H82  MUB 101           H82      NAM   6  -8.388  -9.732  -1.471
  646    H83  MUB 101           H83      NAM   6  -8.983  -8.101  -1.756
  647    H3   MUB 101           H3       NAM   6 -11.905 -10.550   0.305
  648    H9   MUB 101           H9       NAM   6 -11.458 -10.462   3.410
  649   H111  MUB 101          H111      NAM   6  -8.910 -12.087   3.227
  650   H112  MUB 101          H112      NAM   6  -9.390 -11.309   4.701
  651   H113  MUB 101          H113      NAM   6  -9.155 -10.284   3.327
  652    H4A  MUB 101           H4       NAM   6 -13.459 -10.080   2.974
  653    H5   MUB 101           H5       NAM   6 -14.304  -9.068   0.187
  654    H61  MUB 101           H61      NAM   6 -15.617  -7.596   1.125
  655    H62  MUB 101           H62      NAM   6 -14.757  -7.416   2.665
  656    HO6  MUB 101           HO6      NAM   6 -15.868 -10.011   1.901
  657    H1   NAG 102           H1       NAG   7 -12.948 -12.217   0.507
  658    H2   NAG 102           H2       NAG   7 -15.997 -12.887   0.655
  659    H3   NAG 102           H3       NAG   7 -13.842 -14.356  -0.910
  660    H4   NAG 102           H4       NAG   7 -15.965 -12.722  -2.227
  661    H5   NAG 102           H5       NAG   7 -12.872 -11.934  -1.899
  662    H61  NAG 102           H61      NAG   7 -15.127 -10.360  -3.144
  663    H62  NAG 102           H62      NAG   7 -13.731 -11.105  -3.923
  664    H81  NAG 102           H81      NAG   7 -14.036 -16.246   2.945
  665    H82  NAG 102           H82      NAG   7 -13.621 -14.828   3.896
  666    H83  NAG 102           H83      NAG   7 -12.334 -15.714   3.091
  667    HN2  NAG 102           HN2      NAG   7 -15.404 -14.001   2.283
  668    HO3  NAG 102           HO3      NAG   7 -16.688 -14.337  -1.087
  669    HO4  NAG 102           HO4      NAG   7 -14.889 -14.461  -3.228
  670    HO6  NAG 102           HO6      NAG   7 -12.742  -9.693  -1.986
  671    H1   MUB 101           H1       NAM   6  13.075  -5.589  -4.671
  672    H2   MUB 101           H2       NAM   6  10.841  -5.876  -5.455
  673    HN2  MUB 101           HN2      NAM   6   9.549  -7.427  -4.470
  674    H81  MUB 101           H81      NAM   6   8.577  -9.753  -4.857
  675    H82  MUB 101           H82      NAM   6   9.579 -10.040  -3.442
  676    H83  MUB 101           H83      NAM   6   9.821 -11.032  -4.872
  677    H3   MUB 101           H3       NAM   6  11.822  -8.536  -6.618
  678    H9   MUB 101           H9       NAM   6  11.733  -5.425  -7.040
  679   H111  MUB 101          H111      NAM   6   8.869  -5.610  -7.893
  680   H112  MUB 101          H112      NAM   6   9.621  -4.048  -7.900
  681   H113  MUB 101          H113      NAM   6   9.623  -4.899  -6.394
  682    H4A  MUB 101           H4       NAM   6  13.698  -6.082  -7.075
  683    H5   MUB 101           H5       NAM   6  14.622  -8.621  -5.633
  684    H61  MUB 101           H61      NAM   6  16.164  -6.887  -6.199
  685    H62  MUB 101           H62      NAM   6  16.170  -7.113  -4.408
  686    HO6  MUB 101           HO6      NAM   6  15.418  -4.943  -4.431
  687    H1   NAG 102           H1       NAG   7  12.525  -8.972  -8.162
  688    H2   NAG 102           H2       NAG   7  15.045  -9.337  -9.979
  689    H3   NAG 102           H3       NAG   7  12.360 -10.756  -9.942
  690    H4   NAG 102           H4       NAG   7  14.931 -12.050  -9.131
  691    H5   NAG 102           H5       NAG   7  12.533 -11.184  -7.197
  692    H61  NAG 102           H61      NAG   7  14.790 -12.911  -6.724
  693    H62  NAG 102           H62      NAG   7  13.282 -12.612  -5.858
  694    H81  NAG 102           H81      NAG   7  10.724  -7.081 -11.815
  695    H82  NAG 102           H82      NAG   7  12.153  -7.420 -12.781
  696    H83  NAG 102           H83      NAG   7  12.254  -6.200 -11.519
  697    HN2  NAG 102           HN2      NAG   7  14.174  -7.832 -11.060
  698    HO3  NAG 102           HO3      NAG   7  14.883 -11.170 -11.208
  699    HO4  NAG 102           HO4      NAG   7  13.174 -13.215  -9.960
  700    HO6  NAG 102           HO6      NAG   7  14.513 -10.506  -5.373
  701    H1   MUB 101           H1       NAM   6 -15.653   2.657  -0.851
  702    H2   MUB 101           H2       NAM   6 -15.094   2.205  -2.973
  703    HN2  MUB 101           HN2      NAM   6 -13.914   3.891  -3.914
  704    H81  MUB 101           H81      NAM   6 -14.220   5.589  -5.987
  705    H82  MUB 101           H82      NAM   6 -13.741   6.437  -4.519
  706    H83  MUB 101           H83      NAM   6 -15.186   6.960  -5.377
  707    H3   MUB 101           H3       NAM   6 -17.464   4.068  -3.825
  708    H9   MUB 101           H9       NAM   6 -16.369   1.083  -3.810
  709   H111  MUB 101          H111      NAM   6 -14.192   1.384  -4.363
  710   H112  MUB 101          H112      NAM   6 -14.674   2.153  -5.842
  711   H113  MUB 101          H113      NAM   6 -14.558   0.425  -5.869
  712    H4A  MUB 101           H4       NAM   6 -17.812   1.308  -2.315
  713    H5   MUB 101           H5       NAM   6 -18.996   3.899  -1.301
  714    H61  MUB 101           H61      NAM   6 -19.331   2.360   0.156
  715    H62  MUB 101           H62      NAM   6 -17.901   3.104   0.939
  716    HO6  MUB 101           HO6      NAM   6 -18.345   0.565   0.042
  717    H1   NAG 102           H1       NAG   7 -19.071   3.363  -4.636
  718    H2   NAG 102           H2       NAG   7 -21.971   2.456  -3.869
  719    H3   NAG 102           H3       NAG   7 -20.974   4.084  -6.207
  720    H4   NAG 102           H4       NAG   7 -22.604   5.259  -3.993
  721    H5   NAG 102           H5       NAG   7 -19.477   5.716  -4.510
  722    H61  NAG 102           H61      NAG   7 -21.305   6.816  -2.414
  723    H62  NAG 102           H62      NAG   7 -20.242   7.620  -3.558
  724    H81  NAG 102           H81      NAG   7 -19.607   0.264  -7.910
  725    H82  NAG 102           H82      NAG   7 -21.196  -0.173  -7.300
  726    H83  NAG 102           H83      NAG   7 -19.780  -0.576  -6.338
  727    HN2  NAG 102           HN2      NAG   7 -21.416   0.750  -4.827
  728    HO3  NAG 102           HO3      NAG   7 -22.936   2.809  -6.256
  729    HO4  NAG 102           HO4      NAG   7 -22.586   6.120  -6.072
  730    HO6  NAG 102           HO6      NAG   7 -18.579   6.238  -2.340
  731    H1   MUB 101           H1       NAM   6   9.106   4.885  -7.208
  732    H2   MUB 101           H2       NAM   6  11.362   4.790  -7.970
  733    HN2  MUB 101           HN2      NAM   6  12.945   5.636  -6.716
  734    H81  MUB 101           H81      NAM   6  13.665   7.917  -5.174
  735    H82  MUB 101           H82      NAM   6  13.856   9.150  -6.415
  736    H83  MUB 101           H83      NAM   6  14.595   7.571  -6.658
  737    H3   MUB 101           H3       NAM   6  11.075   7.797  -8.515
  738    H9   MUB 101           H9       NAM   6  10.070   5.108  -9.871
  739   H111  MUB 101          H111      NAM   6  11.417   3.437  -9.167
  740   H112  MUB 101          H112      NAM   6  12.785   4.380  -9.660
  741   H113  MUB 101          H113      NAM   6  12.086   3.349 -10.860
  742    H4A  MUB 101           H4       NAM   6   8.670   6.095  -9.460
  743    H5   MUB 101           H5       NAM   6   8.244   8.297  -7.393
  744    H61  MUB 101           H61      NAM   6   6.264   7.474  -7.416
  745    H62  MUB 101           H62      NAM   6   6.849   5.994  -6.548
  746    HO6  MUB 101           HO6      NAM   6   6.476   6.522  -9.412
  747    H1   NAG 102           H1       NAG   7  10.627   8.687  -9.917
  748    H2   NAG 102           H2       NAG   7   8.293  10.247 -11.271
  749    H3   NAG 102           H3       NAG   7  11.238  10.926 -11.198
  750    H4   NAG 102           H4       NAG   7   9.162  12.480  -9.711
  751    H5   NAG 102           H5       NAG   7  11.342  10.494  -8.447
  752    H61  NAG 102           H61      NAG   7   9.105  11.942  -7.022
  753    H62  NAG 102           H62      NAG   7  10.822  12.359  -7.049
  754    H81  NAG 102           H81      NAG   7  10.520   8.550 -14.741
  755    H82  NAG 102           H82      NAG   7  10.017   7.089 -13.902
  756    H83  NAG 102           H83      NAG   7  11.732   7.461 -14.001
  757    HN2  NAG 102           HN2      NAG   7   8.686   9.003 -12.831
  758    HO3  NAG 102           HO3      NAG   7   8.809  12.200 -11.976
  759    HO4  NAG 102           HO4      NAG   7  11.161  13.340 -10.442
  760    HO6  NAG 102           HO6      NAG   7  10.547   9.753  -6.549