*HEADER    RIBOSOME                                10-APR-03   1P0G              
*TITLE     STRUCTURE OF ANTIMICROBIAL PEPTIDE, HP (2-20) AND ITS                 
*TITLE    2 ANALOGUES DERIVED FROM HELICOBACTER PYLORI, AS DETERMINED            
*TITLE    3 BY 1H NMR SPECTROSCOPY                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 19-MER PEPTIDE FROM 50S RIBOSOMAL PROTEIN L1;              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: RIBOSOMAL PROTEIN L1;                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF PEPTIDE IS NATURALLY FOUND IN HELICOBACTER               
*SOURCE   5 PYLORI                                                               
*KEYWDS    COIL-HELIX-COIL                                                       
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    K.H.LEE, D.G.LEE, Y.K.PARK, K.S.HARM, Y.M.KIM                         
*REVDAT   1   20-MAY-03 1P0G    0                                                

set message=off echo=off end
! HP IN 150mM SDS
! ---------- Created by Kwanghwan Lee (01/9/02) ----------
! S:1.8-2.7(2.5) ; M:1.8-3.3(3.0) ; W:1.8-5.0(4.0) 
! add pseudoname correction(m=1.0,r=2.0,+=0.5)
! H-bonds identified from D2O exchange experiment
!assign (resid   10 and  name N    )(resid    6 and  name O    ) 3.3 0.8 0.2
!assign (resid   11 and  name N    )(resid    7 and  name O    ) 3.3 0.8 0.2
!assign (resid   12 and  name N    )(resid    8 and  name O    ) 3.3 0.8 0.2
!assign (resid   15 and  name N    )(resid   11 and  name O    ) 3.3 0.8 0.2
!assign (resid   18 and  name N    )(resid   14 and  name O    ) 3.3 0.8 0.2
!assign (resid   19 and  name N    )(resid   15 and  name O    ) 3.3 0.8 0.2
! NH(i)-NH(i+1) NOE
assign (resid    2 and  name HN) (resid    3 and  name HN) 3.0 1.2 0.3 !M
assign (resid    3 and  name HN) (resid    4 and  name HN) 4.0 2.2 1.0 !W
assign (resid    4 and  name HN) (resid    5 and  name HN) 4.0 2.2 1.0 !W
assign (resid    5 and  name HN) (resid    6 and  name HN) 4.0 2.2 1.0 !W
assign (resid    6 and  name HN) (resid    7 and  name HN) 4.0 2.2 1.0 !W
assign (resid    7 and  name HN) (resid    8 and  name HN) 4.0 2.2 1.0 !W
assign (resid    8 and  name HN) (resid    9 and  name HN) 3.0 1.2 0.3 !M
assign (resid    9 and  name HN) (resid   10 and  name HN) 3.0 1.2 0.8 !M+
assign (resid   10 and  name HN) (resid   11 and  name HN) 4.0 2.2 1.0 !W
assign (resid   12 and  name HN) (resid   11 and  name HN) 2.5 0.7 0.2 !S
assign (resid   13 and  name HN) (resid   12 and  name HN) 2.5 0.7 0.2 !S
assign (resid   14 and  name HN) (resid   13 and  name HN) 2.5 0.7 0.2 !S
assign (resid   15 and  name HN) (resid   14 and  name HN) 3.0 1.2 0.3 !M
assign (resid   16 and  name HN) (resid   15 and  name HN) 3.0 1.2 0.3 !M
assign (resid   17 and  name HN) (resid   16 and  name HN) 3.0 1.2 0.3 !M
assign (resid   18 and  name HN) (resid   17 and  name HN) 4.0 2.2 1.0 !W
assign (resid   19 and  name HN) (resid   18 and  name HN) 3.0 1.2 0.3 !M
! CaH(i)-NH(i+1) NOE
assign (resid    3 and  name HN   )(resid    2 and  name HA   ) 2.5 0.7 0.2 !S
assign (resid    4 and  name HN   )(resid    3 and  name HA   ) 2.5 0.7 0.2 !S
assign (resid    5 and  name HN   )(resid    4 and  name HA   ) 2.5 0.7 0.7 !S+
assign (resid    6 and  name HN   )(resid    5 and  name HA   ) 2.5 0.7 0.7 !S+
assign (resid    7 and  name HN   )(resid    6 and  name HA   ) 3.0 1.2 0.8 !M+
assign (resid    8 and  name HN   )(resid    7 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HN   )(resid    8 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   10 and  name HN   )(resid    9 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   12 and  name HN   )(resid   11 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   13 and  name HN   )(resid   12 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   14 and  name HN   )(resid   13 and  name HA   ) 3.0 1.2 0.3 !M
assign (resid   15 and  name HN   )(resid   14 and  name HA   ) 3.0 1.2 0.3 !M
assign (resid   16 and  name HN   )(resid   15 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   17 and  name HN   )(resid   16 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   18 and  name HN   )(resid   17 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   19 and  name HN   )(resid   18 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   20 and  name HN   )(resid   19 and  name HA   ) 4.0 2.2 1.0 !W
! CbgdH(i)-NH(i+1) NOE
assign (resid    4 and  name HN   )(resid    3 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid    4 and  name HN   )(resid    3 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid    4 and  name HN   )(resid    3 and  name HD#  ) 4.0 2.2 2.5 !Wm+
assign (resid    4 and  name HN   )(resid    3 and  name HG#  ) 4.0 2.2 2.0 !Wm
assign (resid    5 and  name HN   )(resid    4 and  name HB   ) 4.0 2.2 1.0 !W
assign (resid    5 and  name HN   )(resid    4 and  name HG1# ) 3.0 1.2 1.8 !Mm+*
assign (resid    5 and  name HN   )(resid    4 and  name HG2# ) 3.0 1.2 1.8 !Mm+
assign (resid    6 and  name HN   )(resid    5 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HN   )(resid    5 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid    7 and  name HN   )(resid    6 and  name HG#  ) 4.0 2.2 2.0 !Wm
assign (resid    9 and  name HN   )(resid    8 and  name HB#  ) 4.0 2.2 2.0 !Wm
assign (resid    9 and  name HN   )(resid    8 and  name HG   ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HN   )(resid    8 and  name HB#  ) 4.0 2.2 2.0 !Wm
assign (resid    9 and  name HN   )(resid    8 and  name HD#  ) 4.0 2.2 3.0 !Wr
assign (resid   10 and  name HN   )(resid    9 and  name HG#  ) 3.0 1.2 1.8 !Mm+
assign (resid   11 and  name HN   )(resid   10 and  name HG#  ) 4.0 2.2 2.0 !Wm
assign (resid   13 and  name HN   )(resid   12 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid   13 and  name HN   )(resid   12 and  name HB2  ) 4.0 2.2 1.0 !W
! (i)-(i+2) NOE
assign (resid    5 and  name HN   )(resid    3 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid    7 and  name HN   )(resid    5 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   12 and  name HN   )(resid   10 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   14 and  name HN   )(resid   12 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid    5 and  name HN   )(resid    3 and  name HB2  ) 4.0 2.2 1.0 !W
!
assign (resid    3 and  name HA   )(resid    5 and  name HB1  ) 3.0 1.2 0.3 !M
assign (resid    3 and  name HA   )(resid    5 and  name HB2  ) 3.0 1.2 0.3 !M
! (i)-(i+3) NOE
!assign (resid    6 and  name HN   )(resid    3 and  name HA   ) 4.0 2.2 1.0 !W(OL)
assign (resid    7 and  name HN   )(resid    4 and  name HA   ) 3.0 1.2 0.3 !M
assign (resid    8 and  name HN   )(resid    5 and  name HA   ) 3.0 1.2 0.3 !M(OL)
assign (resid    9 and  name HN   )(resid    6 and  name HA   ) 3.0 1.2 0.3 !M(OL)
assign (resid   10 and  name HN   )(resid    7 and  name HA   ) 3.0 1.2 0.3 !M
assign (resid   11 and  name HN   )(resid    8 and  name HA   ) 3.0 1.2 0.3 !M(OL)
assign (resid   12 and  name HN   )(resid    9 and  name HA   ) 3.0 1.2 0.3 !M
assign (resid   13 and  name HN   )(resid   10 and  name HA   ) 3.0 1.2 0.3 !M(OL)
assign (resid   14 and  name HN   )(resid   11 and  name HA   ) 3.0 1.2 0.3 !M(OL)
assign (resid   15 and  name HN   )(resid   12 and  name HA   ) 3.0 1.2 0.3 !M
assign (resid   16 and  name HN   )(resid   13 and  name HA   ) 3.0 1.2 0.3 !M
!assign (resid   18 and  name HN   )(resid   15 and  name HA   ) 3.0 1.2 0.3 !M%
!assign (resid   19 and  name HN   )(resid   16 and  name HA   ) 3.0 1.2 0.3 !M
!
assign (resid    7 and  name HN   )(resid    4 and  name HG1# ) 4.0 2.2 3.0 !Wr
assign (resid   10 and  name HN   )(resid    7 and  name HB1  ) 4.0 2.2 1.0 !W
! (i)-(i+4) NOE
assign (resid   13 and  name HN   )(resid    9 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   11 and  name HN   )(resid    7 and  name HB1  ) 4.0 2.2 1.0 !W
! CaH(i)-CbH(i+3)
assign (resid    5 and  name HA   )(resid    8 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HA   )(resid    9 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HA   )(resid    9 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HA   )(resid    9 and  name HG#  ) 4.0 2.2 2.0 !Wm
assign (resid    7 and  name HA   )(resid   10 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HA   )(resid   12 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HA   )(resid   12 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid   12 and  name HA   )(resid   15 and  name HG12 ) 4.0 2.2 1.0 !W
assign (resid   12 and  name HA   )(resid   15 and  name HG2# ) 4.0 2.2 2.0 !Wm
assign (resid   14 and  name HA   )(resid   17 and  name HB#  ) 4.0 2.2 2.5 !Wm+
!intra
assign (resid    2 and  name HN   )(resid    2 and  name HB1  ) 3.0 1.2 0.3 !M
assign (resid    2 and  name HN   )(resid    2 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid    2 and  name HN   )(resid    2 and  name HD#  ) 4.0 2.2 2.0 !Wm
assign (resid    2 and  name HN   )(resid    2 and  name HG#  ) 4.0 2.2 2.0 !Wm
assign (resid    3 and  name HN   )(resid    3 and  name HB1  ) 3.0 1.2 0.3 !M
assign (resid    3 and  name HN   )(resid    3 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid    3 and  name HN   )(resid    3 and  name HD#  ) 4.0 2.2 2.0 !Wm
assign (resid    3 and  name HN   )(resid    3 and  name HG#  ) 4.0 2.2 2.0 !Wm
assign (resid    4 and  name HN   )(resid    4 and  name HB   ) 2.5 0.7 0.7 !S+
assign (resid    4 and  name HN   )(resid    4 and  name HG1# ) 3.0 1.2 2.3 !Mr
assign (resid    4 and  name HN   )(resid    4 and  name HG2# ) 3.0 1.2 2.3 !Mr
assign (resid    5 and  name HN   )(resid    5 and  name HB1  ) 3.0 1.2 0.3 !M
assign (resid    5 and  name HN   )(resid    5 and  name HB2  ) 3.0 1.2 0.3 !M
assign (resid    6 and  name HN   )(resid    6 and  name HB1  ) 3.0 1.2 0.3 !M
assign (resid    6 and  name HN   )(resid    6 and  name HB2  ) 3.0 1.2 0.3 !M
assign (resid    6 and  name HN   )(resid    6 and  name HD#  ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HN   )(resid    6 and  name HG#  ) 4.0 2.2 2.0 !Wm
assign (resid    7 and  name HN   )(resid    7 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid    7 and  name HN   )(resid    7 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid    7 and  name HN   )(resid    7 and  name HG#  ) 3.0 1.2 1.3 !Mm
assign (resid    8 and  name HN   )(resid    8 and  name HB#  ) 3.0 1.2 1.3 !Mm
assign (resid    8 and  name HN   )(resid    8 and  name HG   ) 4.0 2.2 1.0 !W
assign (resid    8 and  name HN   )(resid    8 and  name HD#  ) 4.0 2.2 2.0 !Wm
assign (resid    9 and  name HN   )(resid    9 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HN   )(resid    9 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HN   )(resid    9 and  name HG#  ) 3.0 1.2 1.8 !Mm+
assign (resid   10 and  name HN   )(resid   10 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid   10 and  name HN   )(resid   10 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid   10 and  name HN   )(resid   10 and  name HD#  ) 4.0 2.2 2.0 !Wm
assign (resid   10 and  name HN   )(resid   10 and  name HG#  ) 4.0 2.2 2.0 !Wm
assign (resid   11 and  name HN   )(resid   11 and  name HB#  ) 3.0 1.2 1.3 !Mm
assign (resid   11 and  name HN   )(resid   11 and  name HG   ) 4.0 2.2 1.0 !W
assign (resid   11 and  name HN   )(resid   11 and  name HD#  ) 4.0 2.2 2.0 !Wm
assign (resid   12 and  name HN   )(resid   12 and  name HB1  ) 2.5 0.7 0.2 !S
assign (resid   12 and  name HN   )(resid   12 and  name HB2  ) 2.5 0.7 0.2 !S
assign (resid   14 and  name HN   )(resid   14 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid   14 and  name HN   )(resid   14 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid   14 and  name HN   )(resid   14 and  name HD#  ) 4.0 2.2 2.0 !Wm
assign (resid   14 and  name HN   )(resid   14 and  name HG#  ) 4.0 2.2 2.0 !Wm
assign (resid   15 and  name HN   )(resid   15 and  name HB   ) 3.0 1.2 0.3 !M
assign (resid   15 and  name HN   )(resid   15 and  name HG11 ) 3.0 1.2 0.8 !M+
assign (resid   15 and  name HN   )(resid   15 and  name HG12 ) 3.0 1.2 0.8 !M+
assign (resid   15 and  name HN   )(resid   15 and  name HG2# ) 3.0 1.2 1.8 !Mm+
assign (resid   15 and  name HN   )(resid   15 and  name HD1# ) 4.0 2.2 2.0 !Wm
assign (resid   17 and  name HN   )(resid   17 and  name HB#  ) 2.5 0.7 1.2 !Sm
assign (resid   18 and  name HN   )(resid   18 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid   18 and  name HN   )(resid   18 and  name HB2  ) 4.0 2.2 1.0 !W
set message=on echo=on end

set message=off echo=off end
restraints dihedral reset
! HP IN SDS
!!
!!Phi
  !!    2
 assign (resid   1 and name c )   (resid   2 and name n ) 
        (resid   2 and name ca)   (resid   2 and name c )  1.0 -70.0 30.0 2
  !!    4
 assign (resid   3 and name c )   (resid   4 and name n ) 
        (resid   4 and name ca)   (resid   4 and name c )  1.0 -90.0 50.0 2
  !!    6
 assign (resid   5 and name c )   (resid   6 and name n ) 
        (resid   6 and name ca)   (resid   6 and name c )  1.0 -60.0 25.0 2
  !!    7
 assign (resid   6 and name c )   (resid   7 and name n ) 
        (resid   7 and name ca)   (resid   7 and name c )  1.0 -60.0 25.0 2
  !!    8
 assign (resid   7 and name c )   (resid   8 and name n ) 
        (resid   8 and name ca)   (resid   8 and name c )  1.0 -60.0 25.0 2
  !!    9
 assign (resid   8 and name c )   (resid   9 and name n ) 
        (resid   9 and name ca)   (resid   9 and name c )  1.0 -60.0 25.0 2
  !!    10
 assign (resid    9 and name c )   (resid   10 and name n )
        (resid   10 and name ca)   (resid   10 and name c )  1.0 -50.0 20.0 2
  !!    11
 assign (resid   10 and name c )   (resid   11 and name n )
        (resid   11 and name ca)   (resid   11 and name c )  1.0 -50.0 20.0 2
  !!    12 
 assign (resid   11 and name c )   (resid   12 and name n ) 
        (resid   12 and name ca)   (resid   12 and name c )  1.0 -60.0 25.0 2
  !!    13 
 assign (resid   12 and name c )   (resid   13 and name n ) 
        (resid   13 and name ca)   (resid   13 and name c )  1.0 -60.0 25.0 2
  !!    14 
 assign (resid   13 and name c )   (resid   14 and name n ) 
        (resid   14 and name ca)   (resid   14 and name c )  1.0 -60.0 25.0 2
  !!    15 
 assign (resid   14 and name c )   (resid   15 and name n ) 
        (resid   15 and name ca)   (resid   15 and name c )  1.0 -60.0 25.0 2
  !!    17 
 assign (resid   16 and name c )   (resid   17 and name n ) 
        (resid   17 and name ca)   (resid   17 and name c )  1.0 -70.0 25.0 2
  !!    18 
 assign (resid   17 and name c )   (resid   18 and name n ) 
        (resid   18 and name ca)   (resid   18 and name c )  1.0 -70.0 25.0 2
  !!    19 
 assign (resid   18 and name c )   (resid   19 and name n ) 
        (resid   19 and name ca)   (resid   19 and name c )  1.0 -80.0 25.0 2
 
end
set message=on echo=on end



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          HT1       ALA   1  -3.026   1.495 -14.961
    2   2H    ALA   1          HT2       ALA   1  -3.412  -0.119 -15.400
    3   3H    ALA   1          HT3       ALA   1  -3.557   1.145 -16.553
    4    HA   ALA   1           HA       ALA   1  -1.628   0.190 -17.160
    5   1HB   ALA   1          HB1       ALA   1  -0.910   2.337 -17.123
    6   2HB   ALA   1          HB2       ALA   1   0.174   1.700 -15.886
    7   3HB   ALA   1          HB3       ALA   1  -1.296   2.554 -15.416
    8    H    LYS   2           HN       LYS   2   0.799  -0.168 -16.200
    9    HA   LYS   2           HA       LYS   2   0.440  -2.322 -14.261
   10   1HB   LYS   2          HB2       LYS   2   2.065  -1.954 -16.574
   11   2HB   LYS   2          HB1       LYS   2   3.133  -2.166 -15.195
   12   1HG   LYS   2          HG2       LYS   2   2.608  -4.279 -16.326
   13   2HG   LYS   2          HG1       LYS   2   2.076  -4.262 -14.643
   14   1HD   LYS   2          HD2       LYS   2  -0.097  -4.429 -15.203
   15   2HD   LYS   2          HD1       LYS   2   0.069  -3.316 -16.563
   16   1HE   LYS   2          HE2       LYS   2   0.941  -5.054 -17.961
   17   2HE   LYS   2          HE1       LYS   2   1.036  -6.170 -16.599
   18   1HZ   LYS   2          HZ1       LYS   2  -1.589  -5.051 -17.135
   19   2HZ   LYS   2          HZ2       LYS   2  -1.150  -6.629 -16.711
   20   3HZ   LYS   2          HZ3       LYS   2  -0.994  -6.110 -18.313
   21    H    LYS   3           HN       LYS   3   0.181   0.108 -13.082
   22    HA   LYS   3           HA       LYS   3   2.640   0.269 -11.463
   23   1HB   LYS   3          HB2       LYS   3   2.251   2.722 -11.236
   24   2HB   LYS   3          HB1       LYS   3   2.670   2.228 -12.871
   25   1HG   LYS   3          HG2       LYS   3   0.453   2.505 -13.629
   26   2HG   LYS   3          HG1       LYS   3  -0.169   2.638 -11.983
   27   1HD   LYS   3          HD2       LYS   3   0.492   4.807 -11.761
   28   2HD   LYS   3          HD1       LYS   3   1.887   4.602 -12.823
   29   1HE   LYS   3          HE2       LYS   3   0.471   4.640 -14.770
   30   2HE   LYS   3          HE1       LYS   3  -0.976   4.670 -13.763
   31   1HZ   LYS   3          HZ1       LYS   3   0.034   6.822 -12.835
   32   2HZ   LYS   3          HZ2       LYS   3  -0.690   6.870 -14.363
   33   3HZ   LYS   3          HZ3       LYS   3   0.995   6.813 -14.228
   34    H    VAL   4           HN       VAL   4   0.417  -1.293 -10.904
   35    HA   VAL   4           HA       VAL   4  -1.305   0.003  -9.028
   36    HB   VAL   4           HB       VAL   4  -0.591  -2.933  -9.041
   37   1HG1  VAL   4          HG11      VAL   4  -2.379  -1.322  -7.501
   38   2HG1  VAL   4          HG12      VAL   4  -2.052  -3.050  -7.374
   39   3HG1  VAL   4          HG13      VAL   4  -3.313  -2.469  -8.460
   40   1HG2  VAL   4          HG21      VAL   4  -2.490  -1.415 -10.804
   41   2HG2  VAL   4          HG22      VAL   4  -2.700  -3.133 -10.470
   42   3HG2  VAL   4          HG23      VAL   4  -1.233  -2.563 -11.266
   43    H    PHE   5           HN       PHE   5   1.883  -0.718  -9.122
   44    HA   PHE   5           HA       PHE   5   2.743  -1.622  -6.725
   45   1HB   PHE   5          HB2       PHE   5   4.130  -1.079  -8.716
   46   2HB   PHE   5          HB1       PHE   5   3.940   0.627  -8.344
   47    HD1  PHE   5           HD1      PHE   5   5.285  -2.556  -6.991
   48    HD2  PHE   5           HD2      PHE   5   5.399   1.696  -6.869
   49    HE1  PHE   5           HE1      PHE   5   7.269  -2.654  -5.539
   50    HE2  PHE   5           HE2      PHE   5   7.384   1.606  -5.418
   51    HZ   PHE   5           HZ       PHE   5   8.321  -0.571  -4.751
   52    H    LYS   6           HN       LYS   6   1.304   1.390  -7.417
   53    HA   LYS   6           HA       LYS   6   2.173   2.795  -5.101
   54   1HB   LYS   6          HB2       LYS   6   0.936   3.558  -7.388
   55   2HB   LYS   6          HB1       LYS   6  -0.438   3.527  -6.292
   56   1HG   LYS   6          HG2       LYS   6   0.518   5.156  -4.884
   57   2HG   LYS   6          HG1       LYS   6   2.100   4.997  -5.650
   58   1HD   LYS   6          HD2       LYS   6   1.139   5.885  -7.745
   59   2HD   LYS   6          HD1       LYS   6  -0.403   6.109  -6.917
   60   1HE   LYS   6          HE2       LYS   6   1.924   7.300  -5.572
   61   2HE   LYS   6          HE1       LYS   6   1.519   8.012  -7.133
   62   1HZ   LYS   6          HZ1       LYS   6  -0.455   7.622  -4.953
   63   2HZ   LYS   6          HZ2       LYS   6  -0.658   8.515  -6.376
   64   3HZ   LYS   6          HZ3       LYS   6   0.410   9.059  -5.182
   65    H    ARG   7           HN       ARG   7  -0.596   0.777  -5.891
   66    HA   ARG   7           HA       ARG   7  -2.087   1.259  -3.549
   67   1HB   ARG   7          HB2       ARG   7  -2.005  -0.973  -5.553
   68   2HB   ARG   7          HB1       ARG   7  -2.966  -1.140  -4.090
   69   1HG   ARG   7          HG2       ARG   7  -4.483  -0.342  -5.649
   70   2HG   ARG   7          HG1       ARG   7  -4.008   1.109  -4.765
   71   1HD   ARG   7          HD2       ARG   7  -2.248   0.608  -7.005
   72   2HD   ARG   7          HD1       ARG   7  -3.930   0.721  -7.520
   73    HE   ARG   7           HE       ARG   7  -3.126   2.828  -5.739
   74   1HH1  ARG   7          HH11      ARG   7  -3.236   1.784  -9.068
   75   2HH1  ARG   7          HH12      ARG   7  -3.180   3.393  -9.705
   76   1HH2  ARG   7          HH21      ARG   7  -3.053   4.945  -6.575
   77   2HH2  ARG   7          HH22      ARG   7  -3.075   5.188  -8.290
   78    H    LEU   8           HN       LEU   8   0.621  -0.826  -4.283
   79    HA   LEU   8           HA       LEU   8   0.480  -2.513  -2.034
   80   1HB   LEU   8          HB2       LEU   8   2.629  -1.692  -3.934
   81   2HB   LEU   8          HB1       LEU   8   3.094  -2.517  -2.458
   82    HG   LEU   8           HG       LEU   8   1.091  -4.137  -3.393
   83   1HD1  LEU   8          HD11      LEU   8   1.242  -4.420  -5.704
   84   2HD1  LEU   8          HD12      LEU   8   2.709  -3.449  -5.821
   85   3HD1  LEU   8          HD13      LEU   8   1.162  -2.671  -5.490
   86   1HD2  LEU   8          HD21      LEU   8   3.623  -4.454  -2.647
   87   2HD2  LEU   8          HD22      LEU   8   3.835  -4.658  -4.386
   88   3HD2  LEU   8          HD23      LEU   8   2.728  -5.710  -3.503
   89    H    GLU   9           HN       GLU   9   1.866   0.685  -2.534
   90    HA   GLU   9           HA       GLU   9   3.239   0.824  -0.055
   91   1HB   GLU   9          HB2       GLU   9   3.666   2.310  -2.031
   92   2HB   GLU   9          HB1       GLU   9   2.146   3.124  -1.686
   93   1HG   GLU   9          HG2       GLU   9   3.935   4.429  -0.797
   94   2HG   GLU   9          HG1       GLU   9   3.029   3.730   0.545
   95    H    LYS  10           HN       LYS  10  -0.033   1.591  -1.076
   96    HA   LYS  10           HA       LYS  10  -0.789   2.898   1.341
   97   1HB   LYS  10          HB2       LYS  10  -2.341   1.667  -0.930
   98   2HB   LYS  10          HB1       LYS  10  -3.150   2.319   0.488
   99   1HG   LYS  10          HG2       LYS  10  -1.955   4.488   0.034
  100   2HG   LYS  10          HG1       LYS  10  -1.461   3.792  -1.511
  101   1HD   LYS  10          HD2       LYS  10  -4.107   3.276  -1.577
  102   2HD   LYS  10          HD1       LYS  10  -4.102   4.759  -0.619
  103   1HE   LYS  10          HE2       LYS  10  -2.382   5.421  -2.606
  104   2HE   LYS  10          HE1       LYS  10  -3.474   4.333  -3.462
  105   1HZ   LYS  10          HZ1       LYS  10  -4.253   6.758  -1.934
  106   2HZ   LYS  10          HZ2       LYS  10  -5.339   5.689  -2.667
  107   3HZ   LYS  10          HZ3       LYS  10  -4.265   6.585  -3.617
  108    H    LEU  11           HN       LEU  11  -0.731  -0.408   0.215
  109    HA   LEU  11           HA       LEU  11  -2.325  -1.517   2.280
  110   1HB   LEU  11          HB2       LEU  11  -1.066  -2.459  -0.018
  111   2HB   LEU  11          HB1       LEU  11  -0.241  -3.290   1.287
  112    HG   LEU  11           HG       LEU  11  -3.230  -3.297   0.861
  113   1HD1  LEU  11          HD11      LEU  11  -1.049  -5.040  -0.118
  114   2HD1  LEU  11          HD12      LEU  11  -2.612  -4.659  -0.840
  115   3HD1  LEU  11          HD13      LEU  11  -2.510  -5.833   0.472
  116   1HD2  LEU  11          HD21      LEU  11  -1.803  -5.258   2.573
  117   2HD2  LEU  11          HD22      LEU  11  -3.437  -4.608   2.713
  118   3HD2  LEU  11          HD23      LEU  11  -2.054  -3.633   3.210
  119    H    PHE  12           HN       PHE  12   1.046  -0.638   1.994
  120    HA   PHE  12           HA       PHE  12   2.013  -2.038   4.247
  121   1HB   PHE  12          HB2       PHE  12   3.376  -0.913   2.403
  122   2HB   PHE  12          HB1       PHE  12   3.088   0.602   3.253
  123    HD1  PHE  12           HD1      PHE  12   4.558   1.281   4.896
  124    HD2  PHE  12           HD2      PHE  12   4.413  -2.831   3.811
  125    HE1  PHE  12           HE1      PHE  12   6.491   0.833   6.351
  126    HE2  PHE  12           HE2      PHE  12   6.345  -3.287   5.266
  127    HZ   PHE  12           HZ       PHE  12   7.386  -1.454   6.538
  128    H    SER  13           HN       SER  13   0.380   1.036   3.845
  129    HA   SER  13           HA       SER  13   0.880   1.975   6.486
  130   1HB   SER  13          HB2       SER  13  -1.255   2.767   4.494
  131   2HB   SER  13          HB1       SER  13  -0.908   3.630   5.993
  132    HG   SER  13           HG       SER  13   1.278   3.864   5.143
  133    H    LYS  14           HN       LYS  14  -1.221  -0.333   5.174
  134    HA   LYS  14           HA       LYS  14  -3.185  -0.163   7.282
  135   1HB   LYS  14          HB2       LYS  14  -2.799  -2.170   5.060
  136   2HB   LYS  14          HB1       LYS  14  -4.127  -2.218   6.211
  137   1HG   LYS  14          HG2       LYS  14  -4.525   0.236   5.375
  138   2HG   LYS  14          HG1       LYS  14  -3.628  -0.333   3.965
  139   1HD   LYS  14          HD2       LYS  14  -5.253  -1.857   3.379
  140   2HD   LYS  14          HD1       LYS  14  -5.871  -1.989   5.027
  141   1HE   LYS  14          HE2       LYS  14  -7.530  -0.669   4.301
  142   2HE   LYS  14          HE1       LYS  14  -6.353   0.635   4.457
  143   1HZ   LYS  14          HZ1       LYS  14  -7.640   0.277   2.240
  144   2HZ   LYS  14          HZ2       LYS  14  -6.456  -0.897   1.954
  145   3HZ   LYS  14          HZ3       LYS  14  -6.005   0.713   2.211
  146    H    ILE  15           HN       ILE  15  -0.238  -1.756   6.667
  147    HA   ILE  15           HA       ILE  15  -0.645  -3.846   8.630
  148    HB   ILE  15           HB       ILE  15   1.928  -3.089   7.246
  149   1HG1  ILE  15          HG12      ILE  15   0.244  -3.578   5.559
  150   2HG1  ILE  15          HG11      ILE  15   1.388  -4.913   5.656
  151   1HG2  ILE  15          HG21      ILE  15   1.081  -5.255   9.059
  152   2HG2  ILE  15          HG22      ILE  15   2.670  -4.527   8.819
  153   3HG2  ILE  15          HG23      ILE  15   2.074  -5.738   7.684
  154   1HD1  ILE  15          HD11      ILE  15  -1.454  -4.797   6.567
  155   2HD1  ILE  15          HD12      ILE  15  -0.334  -5.985   7.236
  156   3HD1  ILE  15          HD13      ILE  15  -0.667  -5.963   5.504
  157    H    GLN  16           HN       GLN  16   0.553  -0.620   8.537
  158    HA   GLN  16           HA       GLN  16   2.039  -0.933  11.030
  159   1HB   GLN  16          HB2       GLN  16   2.468   0.638   8.821
  160   2HB   GLN  16          HB1       GLN  16   1.737   1.777   9.943
  161   1HG   GLN  16          HG2       GLN  16   3.537   1.822  11.275
  162   2HG   GLN  16          HG1       GLN  16   3.841   0.094  11.098
  163   1HE2  GLN  16          HE21      GLN  16   4.121   3.185   9.416
  164   2HE2  GLN  16          HE22      GLN  16   5.526   2.766   8.503
  165    H    ASN  17           HN       ASN  17  -0.874  -1.244  10.967
  166    HA   ASN  17           HA       ASN  17  -1.831   1.127  12.375
  167   1HB   ASN  17          HB2       ASN  17  -3.248   0.061  10.624
  168   2HB   ASN  17          HB1       ASN  17  -3.337  -1.388  11.621
  169   1HD2  ASN  17          HD21      ASN  17  -4.223   1.987  11.391
  170   2HD2  ASN  17          HD22      ASN  17  -5.515   1.924  12.537
  171    H    ASP  18           HN       ASP  18  -1.012  -2.230  12.922
  172    HA   ASP  18           HA       ASP  18  -2.063  -2.336  15.584
  173   1HB   ASP  18          HB2       ASP  18  -0.710  -4.466  15.711
  174   2HB   ASP  18          HB1       ASP  18  -1.889  -4.407  14.404
  175    H    LYS  19           HN       LYS  19   0.950  -1.400  14.124
  176    HA   LYS  19           HA       LYS  19   2.689  -1.638  16.286
  177   1HB   LYS  19          HB2       LYS  19   2.687  -0.363  13.714
  178   2HB   LYS  19          HB1       LYS  19   3.378   0.734  14.902
  179   1HG   LYS  19          HG2       LYS  19   5.150  -0.533  13.949
  180   2HG   LYS  19          HG1       LYS  19   4.911  -1.101  15.602
  181   1HD   LYS  19          HD2       LYS  19   4.140  -3.136  14.936
  182   2HD   LYS  19          HD1       LYS  19   3.407  -2.497  13.464
  183   1HE   LYS  19          HE2       LYS  19   5.268  -2.828  12.242
  184   2HE   LYS  19          HE1       LYS  19   6.338  -2.338  13.555
  185   1HZ   LYS  19          HZ1       LYS  19   4.957  -4.874  13.898
  186   2HZ   LYS  19          HZ2       LYS  19   6.544  -4.444  14.291
  187   3HZ   LYS  19          HZ3       LYS  19   6.146  -4.835  12.695
  188   1HN   NH2  20          NH1       NH2  20   3.167  -0.396  18.022
  189   2HN   NH2  20          NH2       NH2  20   2.256   0.986  18.518
  Start of MODEL    2
    1   1H    ALA   1          HT1       ALA   1  -1.635   5.465 -14.947
    2   2H    ALA   1          HT2       ALA   1  -0.671   4.387 -15.871
    3   3H    ALA   1          HT3       ALA   1  -0.456   4.493 -14.172
    4    HA   ALA   1           HA       ALA   1  -2.872   3.825 -14.037
    5   1HB   ALA   1          HB1       ALA   1  -2.200   3.338 -16.894
    6   2HB   ALA   1          HB2       ALA   1  -3.708   3.889 -16.165
    7   3HB   ALA   1          HB3       ALA   1  -3.249   2.190 -16.062
    8    H    LYS   2           HN       LYS   2   0.208   2.649 -15.183
    9    HA   LYS   2           HA       LYS   2  -0.221   0.036 -13.958
   10   1HB   LYS   2          HB2       LYS   2   0.879   0.307 -16.216
   11   2HB   LYS   2          HB1       LYS   2   2.249   1.028 -15.382
   12   1HG   LYS   2          HG2       LYS   2   2.723  -0.995 -14.233
   13   2HG   LYS   2          HG1       LYS   2   1.208  -1.725 -14.769
   14   1HD   LYS   2          HD2       LYS   2   2.164  -1.275 -17.155
   15   2HD   LYS   2          HD1       LYS   2   3.713  -1.197 -16.312
   16   1HE   LYS   2          HE2       LYS   2   1.812  -3.498 -15.965
   17   2HE   LYS   2          HE1       LYS   2   3.010  -3.458 -17.257
   18   1HZ   LYS   2          HZ1       LYS   2   3.590  -4.586 -15.027
   19   2HZ   LYS   2          HZ2       LYS   2   3.841  -3.009 -14.468
   20   3HZ   LYS   2          HZ3       LYS   2   4.746  -3.598 -15.770
   21    H    LYS   3           HN       LYS   3  -0.298   1.954 -12.059
   22    HA   LYS   3           HA       LYS   3   2.239   1.519 -10.620
   23   1HB   LYS   3          HB2       LYS   3   2.025   3.781  -9.635
   24   2HB   LYS   3          HB1       LYS   3   2.265   3.828 -11.376
   25   1HG   LYS   3          HG2       LYS   3   0.261   4.764 -11.760
   26   2HG   LYS   3          HG1       LYS   3  -0.540   3.816 -10.506
   27   1HD   LYS   3          HD2       LYS   3  -0.123   5.358  -8.882
   28   2HD   LYS   3          HD1       LYS   3   1.390   5.886  -9.621
   29   1HE   LYS   3          HE2       LYS   3  -0.057   6.906 -11.455
   30   2HE   LYS   3          HE1       LYS   3  -1.420   6.645 -10.368
   31   1HZ   LYS   3          HZ1       LYS   3  -0.817   8.752  -9.795
   32   2HZ   LYS   3          HZ2       LYS   3   0.826   8.510 -10.118
   33   3HZ   LYS   3          HZ3       LYS   3   0.144   7.889  -8.701
   34    H    VAL   4           HN       VAL   4  -0.043  -0.057 -10.451
   35    HA   VAL   4           HA       VAL   4  -1.594   0.643  -8.152
   36    HB   VAL   4           HB       VAL   4  -1.063  -2.130  -9.243
   37   1HG1  VAL   4          HG11      VAL   4  -2.809  -1.034  -7.138
   38   2HG1  VAL   4          HG12      VAL   4  -2.107  -2.642  -7.310
   39   3HG1  VAL   4          HG13      VAL   4  -3.554  -2.210  -8.220
   40   1HG2  VAL   4          HG21      VAL   4  -2.602  -1.846 -10.865
   41   2HG2  VAL   4          HG22      VAL   4  -2.185  -0.142 -10.686
   42   3HG2  VAL   4          HG23      VAL   4  -3.608  -0.791  -9.872
   43    H    PHE   5           HN       PHE   5   1.534  -0.146  -8.684
   44    HA   PHE   5           HA       PHE   5   2.433  -1.809  -6.741
   45   1HB   PHE   5          HB2       PHE   5   3.750  -0.752  -8.581
   46   2HB   PHE   5          HB1       PHE   5   3.741   0.748  -7.668
   47    HD1  PHE   5           HD1      PHE   5   5.200  -2.562  -7.986
   48    HD2  PHE   5           HD2      PHE   5   5.012   0.939  -5.575
   49    HE1  PHE   5           HE1      PHE   5   7.235  -3.274  -6.801
   50    HE2  PHE   5           HE2      PHE   5   7.047   0.234  -4.385
   51    HZ   PHE   5           HZ       PHE   5   8.161  -1.875  -4.998
   52    H    LYS   6           HN       LYS   6   1.176   1.336  -6.393
   53    HA   LYS   6           HA       LYS   6   2.277   1.910  -3.826
   54   1HB   LYS   6          HB2       LYS   6   1.040   3.431  -5.689
   55   2HB   LYS   6          HB1       LYS   6  -0.301   3.160  -4.584
   56   1HG   LYS   6          HG2       LYS   6   1.368   3.910  -2.756
   57   2HG   LYS   6          HG1       LYS   6   2.280   4.587  -4.107
   58   1HD   LYS   6          HD2       LYS   6   0.386   5.935  -4.763
   59   2HD   LYS   6          HD1       LYS   6  -0.619   5.183  -3.522
   60   1HE   LYS   6          HE2       LYS   6   0.024   7.241  -2.604
   61   2HE   LYS   6          HE1       LYS   6   1.090   6.059  -1.846
   62   1HZ   LYS   6          HZ1       LYS   6   2.123   8.194  -2.728
   63   2HZ   LYS   6          HZ2       LYS   6   1.910   7.534  -4.270
   64   3HZ   LYS   6          HZ3       LYS   6   2.884   6.739  -3.138
   65    H    ARG   7           HN       ARG   7  -0.596   0.311  -5.011
   66    HA   ARG   7           HA       ARG   7  -1.995   0.214  -2.551
   67   1HB   ARG   7          HB2       ARG   7  -2.296  -0.879  -5.218
   68   2HB   ARG   7          HB1       ARG   7  -2.694  -2.080  -3.997
   69   1HG   ARG   7          HG2       ARG   7  -4.453  -0.829  -3.152
   70   2HG   ARG   7          HG1       ARG   7  -3.844   0.675  -3.845
   71   1HD   ARG   7          HD2       ARG   7  -5.001   0.359  -5.718
   72   2HD   ARG   7          HD1       ARG   7  -4.355  -1.270  -5.910
   73    HE   ARG   7           HE       ARG   7  -6.236  -1.599  -4.009
   74   1HH1  ARG   7          HH11      ARG   7  -6.300  -0.084  -7.153
   75   2HH1  ARG   7          HH12      ARG   7  -7.971  -0.442  -7.429
   76   1HH2  ARG   7          HH21      ARG   7  -8.434  -2.072  -4.372
   77   2HH2  ARG   7          HH22      ARG   7  -9.182  -1.571  -5.852
   78    H    LEU   8           HN       LEU   8   0.498  -1.758  -4.028
   79    HA   LEU   8           HA       LEU   8   0.326  -3.969  -2.284
   80   1HB   LEU   8          HB2       LEU   8   2.411  -2.868  -4.113
   81   2HB   LEU   8          HB1       LEU   8   2.891  -4.082  -2.941
   82    HG   LEU   8           HG       LEU   8   0.736  -5.307  -4.003
   83   1HD1  LEU   8          HD11      LEU   8   0.294  -3.525  -5.597
   84   2HD1  LEU   8          HD12      LEU   8   0.780  -5.002  -6.431
   85   3HD1  LEU   8          HD13      LEU   8   1.928  -3.677  -6.241
   86   1HD2  LEU   8          HD21      LEU   8   2.841  -6.388  -3.780
   87   2HD2  LEU   8          HD22      LEU   8   3.588  -5.318  -4.967
   88   3HD2  LEU   8          HD23      LEU   8   2.381  -6.498  -5.479
   89    H    GLU   9           HN       GLU   9   2.312  -1.016  -2.184
   90    HA   GLU   9           HA       GLU   9   3.570  -1.698   0.278
   91   1HB   GLU   9          HB2       GLU   9   4.216   0.708   0.345
   92   2HB   GLU   9          HB1       GLU   9   4.627  -0.080  -1.172
   93   1HG   GLU   9          HG2       GLU   9   2.702   0.919  -2.244
   94   2HG   GLU   9          HG1       GLU   9   2.214   1.660  -0.721
   95    H    LYS  10           HN       LYS  10   0.551  -0.257  -0.619
   96    HA   LYS  10           HA       LYS  10  -0.049   0.935   1.897
   97   1HB   LYS  10          HB2       LYS  10  -1.585   0.261  -0.574
   98   2HB   LYS  10          HB1       LYS  10  -2.485   0.590   0.899
   99   1HG   LYS  10          HG2       LYS  10  -1.647   2.790   1.039
  100   2HG   LYS  10          HG1       LYS  10  -0.410   2.474  -0.180
  101   1HD   LYS  10          HD2       LYS  10  -2.054   3.688  -1.324
  102   2HD   LYS  10          HD1       LYS  10  -2.364   2.009  -1.770
  103   1HE   LYS  10          HE2       LYS  10  -4.462   3.040  -1.268
  104   2HE   LYS  10          HE1       LYS  10  -4.078   1.920   0.038
  105   1HZ   LYS  10          HZ1       LYS  10  -4.936   4.178   0.706
  106   2HZ   LYS  10          HZ2       LYS  10  -3.451   4.808   0.199
  107   3HZ   LYS  10          HZ3       LYS  10  -3.504   3.679   1.458
  108    H    LEU  11           HN       LEU  11  -0.452  -2.243   0.476
  109    HA   LEU  11           HA       LEU  11  -2.243  -3.285   2.403
  110   1HB   LEU  11          HB2       LEU  11  -1.489  -4.227   0.088
  111   2HB   LEU  11          HB1       LEU  11  -0.196  -4.973   1.008
  112    HG   LEU  11           HG       LEU  11  -2.947  -5.396   2.024
  113   1HD1  LEU  11          HD11      LEU  11  -2.847  -7.447   0.310
  114   2HD1  LEU  11          HD12      LEU  11  -2.054  -6.214  -0.670
  115   3HD1  LEU  11          HD13      LEU  11  -3.679  -5.933  -0.046
  116   1HD2  LEU  11          HD21      LEU  11  -2.078  -7.376   2.825
  117   2HD2  LEU  11          HD22      LEU  11  -0.667  -6.320   2.878
  118   3HD2  LEU  11          HD23      LEU  11  -0.855  -7.476   1.559
  119    H    PHE  12           HN       PHE  12   1.289  -3.179   2.197
  120    HA   PHE  12           HA       PHE  12   1.774  -4.753   4.499
  121   1HB   PHE  12          HB2       PHE  12   3.457  -4.143   2.699
  122   2HB   PHE  12          HB1       PHE  12   3.560  -2.552   3.447
  123    HD1  PHE  12           HD1      PHE  12   4.790  -2.205   5.444
  124    HD2  PHE  12           HD2      PHE  12   4.217  -6.141   3.933
  125    HE1  PHE  12           HE1      PHE  12   6.486  -3.050   7.014
  126    HE2  PHE  12           HE2      PHE  12   5.911  -6.994   5.500
  127    HZ   PHE  12           HZ       PHE  12   7.048  -5.448   7.044
  128    H    SER  13           HN       SER  13   1.087  -1.363   3.987
  129    HA   SER  13           HA       SER  13   1.740  -0.543   6.639
  130   1HB   SER  13          HB2       SER  13   1.427   0.869   4.416
  131   2HB   SER  13          HB1       SER  13  -0.235   0.978   4.994
  132    HG   SER  13           HG       SER  13   0.790   1.676   7.050
  133    H    LYS  14           HN       LYS  14  -0.869  -2.178   5.228
  134    HA   LYS  14           HA       LYS  14  -2.812  -1.408   7.214
  135   1HB   LYS  14          HB2       LYS  14  -2.815  -3.299   4.889
  136   2HB   LYS  14          HB1       LYS  14  -4.094  -3.379   6.094
  137   1HG   LYS  14          HG2       LYS  14  -4.183  -0.768   5.595
  138   2HG   LYS  14          HG1       LYS  14  -3.537  -1.319   4.047
  139   1HD   LYS  14          HD2       LYS  14  -5.472  -2.311   3.451
  140   2HD   LYS  14          HD1       LYS  14  -5.794  -2.891   5.086
  141   1HE   LYS  14          HE2       LYS  14  -6.383  -0.511   5.682
  142   2HE   LYS  14          HE1       LYS  14  -6.316  -0.149   3.958
  143   1HZ   LYS  14          HZ1       LYS  14  -8.568  -0.605   4.602
  144   2HZ   LYS  14          HZ2       LYS  14  -8.131  -2.090   5.284
  145   3HZ   LYS  14          HZ3       LYS  14  -8.023  -1.864   3.611
  146    H    ILE  15           HN       ILE  15  -0.364  -3.742   6.858
  147    HA   ILE  15           HA       ILE  15  -1.484  -5.606   8.773
  148    HB   ILE  15           HB       ILE  15   1.313  -5.573   7.639
  149   1HG1  ILE  15          HG12      ILE  15  -1.045  -7.173   6.636
  150   2HG1  ILE  15          HG11      ILE  15  -0.529  -5.656   5.907
  151   1HG2  ILE  15          HG21      ILE  15   1.527  -7.108   9.276
  152   2HG2  ILE  15          HG22      ILE  15   0.727  -8.159   8.107
  153   3HG2  ILE  15          HG23      ILE  15  -0.211  -7.390   9.386
  154   1HD1  ILE  15          HD11      ILE  15   1.563  -6.597   5.265
  155   2HD1  ILE  15          HD12      ILE  15   0.286  -7.698   4.749
  156   3HD1  ILE  15          HD13      ILE  15   1.243  -8.067   6.184
  157    H    GLN  16           HN       GLN  16   0.765  -2.942   8.710
  158    HA   GLN  16           HA       GLN  16   1.070  -3.200  11.622
  159   1HB   GLN  16          HB2       GLN  16   3.125  -3.740   9.917
  160   2HB   GLN  16          HB1       GLN  16   3.368  -2.022  10.198
  161   1HG   GLN  16          HG2       GLN  16   3.241  -4.188  12.282
  162   2HG   GLN  16          HG1       GLN  16   4.673  -3.300  11.762
  163   1HE2  GLN  16          HE21      GLN  16   1.684  -3.137  13.541
  164   2HE2  GLN  16          HE22      GLN  16   2.045  -1.686  14.407
  165    H    ASN  17           HN       ASN  17  -0.819  -1.621  10.283
  166    HA   ASN  17           HA       ASN  17  -0.057   1.018   9.783
  167   1HB   ASN  17          HB2       ASN  17  -2.424   1.588  10.176
  168   2HB   ASN  17          HB1       ASN  17  -2.257   0.155   9.166
  169   1HD2  ASN  17          HD21      ASN  17  -4.142   1.368  11.402
  170   2HD2  ASN  17          HD22      ASN  17  -4.590  -0.049  12.283
  171    H    ASP  18           HN       ASP  18   0.802   2.489  11.077
  172    HA   ASP  18           HA       ASP  18   0.568   2.170  13.972
  173   1HB   ASP  18          HB2       ASP  18   2.356   3.907  12.262
  174   2HB   ASP  18          HB1       ASP  18   2.335   3.967  14.022
  175    H    LYS  19           HN       LYS  19   0.554   4.966  11.753
  176    HA   LYS  19           HA       LYS  19  -1.108   6.457  13.592
  177   1HB   LYS  19          HB2       LYS  19   0.585   7.051  11.290
  178   2HB   LYS  19          HB1       LYS  19  -0.926   7.950  11.265
  179   1HG   LYS  19          HG2       LYS  19   0.886   7.868  13.660
  180   2HG   LYS  19          HG1       LYS  19   1.020   9.082  12.386
  181   1HD   LYS  19          HD2       LYS  19  -1.287   9.780  12.805
  182   2HD   LYS  19          HD1       LYS  19  -1.430   8.557  14.070
  183   1HE   LYS  19          HE2       LYS  19   0.407   9.663  15.297
  184   2HE   LYS  19          HE1       LYS  19   0.451  10.915  14.057
  185   1HZ   LYS  19          HZ1       LYS  19  -2.119  10.979  14.714
  186   2HZ   LYS  19          HZ2       LYS  19  -0.948  11.931  15.477
  187   3HZ   LYS  19          HZ3       LYS  19  -1.467  10.492  16.198
  188   1HN   NH2  20          NH1       NH2  20  -2.981   5.120  13.514
  189   2HN   NH2  20          NH2       NH2  20  -4.088   5.220  12.192
  Start of MODEL    3
    1   1H    ALA   1          HT1       ALA   1   0.426   3.410 -15.446
    2   2H    ALA   1          HT2       ALA   1  -0.812   4.104 -14.481
    3   3H    ALA   1          HT3       ALA   1  -0.745   4.437 -16.163
    4    HA   ALA   1           HA       ALA   1  -2.432   2.792 -15.357
    5   1HB   ALA   1          HB1       ALA   1  -1.862   1.269 -17.339
    6   2HB   ALA   1          HB2       ALA   1  -0.487   2.344 -17.595
    7   3HB   ALA   1          HB3       ALA   1  -2.130   2.981 -17.663
    8    H    LYS   2           HN       LYS   2   0.862   1.485 -15.782
    9    HA   LYS   2           HA       LYS   2   0.109  -0.857 -14.209
   10   1HB   LYS   2          HB2       LYS   2   1.645  -0.608 -16.455
   11   2HB   LYS   2          HB1       LYS   2   2.875  -0.660 -15.200
   12   1HG   LYS   2          HG2       LYS   2   0.796  -2.692 -14.900
   13   2HG   LYS   2          HG1       LYS   2   1.734  -2.831 -16.389
   14   1HD   LYS   2          HD2       LYS   2   3.065  -2.468 -13.723
   15   2HD   LYS   2          HD1       LYS   2   2.589  -4.064 -14.306
   16   1HE   LYS   2          HE2       LYS   2   3.886  -3.472 -16.429
   17   2HE   LYS   2          HE1       LYS   2   4.578  -2.150 -15.490
   18   1HZ   LYS   2          HZ1       LYS   2   4.654  -4.812 -14.297
   19   2HZ   LYS   2          HZ2       LYS   2   5.790  -3.561 -14.224
   20   3HZ   LYS   2          HZ3       LYS   2   5.688  -4.530 -15.607
   21    H    LYS   3           HN       LYS   3   0.107   1.342 -12.641
   22    HA   LYS   3           HA       LYS   3   2.518   0.947 -10.987
   23   1HB   LYS   3          HB2       LYS   3   2.365   3.351 -10.336
   24   2HB   LYS   3          HB1       LYS   3   2.783   3.106 -12.026
   25   1HG   LYS   3          HG2       LYS   3   0.811   3.955 -12.786
   26   2HG   LYS   3          HG1       LYS   3  -0.081   3.471 -11.342
   27   1HD   LYS   3          HD2       LYS   3   0.307   5.426 -10.319
   28   2HD   LYS   3          HD1       LYS   3   2.005   5.438 -10.800
   29   1HE   LYS   3          HE2       LYS   3   0.810   7.338 -11.753
   30   2HE   LYS   3          HE1       LYS   3   1.378   6.247 -13.016
   31   1HZ   LYS   3          HZ1       LYS   3  -1.082   5.292 -12.520
   32   2HZ   LYS   3          HZ2       LYS   3  -0.718   6.402 -13.744
   33   3HZ   LYS   3          HZ3       LYS   3  -1.320   6.947 -12.260
   34    H    VAL   4           HN       VAL   4   0.130  -0.446 -10.735
   35    HA   VAL   4           HA       VAL   4  -1.496   0.671  -8.666
   36    HB   VAL   4           HB       VAL   4  -1.085  -2.264  -9.274
   37   1HG1  VAL   4          HG11      VAL   4  -3.563  -2.216  -8.451
   38   2HG1  VAL   4          HG12      VAL   4  -3.071  -0.709  -7.680
   39   3HG1  VAL   4          HG13      VAL   4  -2.241  -2.213  -7.284
   40   1HG2  VAL   4          HG21      VAL   4  -3.373  -0.683 -10.363
   41   2HG2  VAL   4          HG22      VAL   4  -2.670  -2.192 -10.947
   42   3HG2  VAL   4          HG23      VAL   4  -1.821  -0.667 -11.202
   43    H    PHE   5           HN       PHE   5   1.601  -0.363  -8.873
   44    HA   PHE   5           HA       PHE   5   2.296  -1.766  -6.670
   45   1HB   PHE   5          HB2       PHE   5   3.784  -1.032  -8.525
   46   2HB   PHE   5          HB1       PHE   5   3.773   0.588  -7.847
   47    HD1  PHE   5           HD1      PHE   5   4.188  -2.798  -6.326
   48    HD2  PHE   5           HD2      PHE   5   5.833   1.076  -6.956
   49    HE1  PHE   5           HE1      PHE   5   6.105  -3.385  -4.900
   50    HE2  PHE   5           HE2      PHE   5   7.754   0.496  -5.532
   51    HZ   PHE   5           HZ       PHE   5   7.892  -1.737  -4.502
   52    H    LYS   6           HN       LYS   6   1.194   1.455  -6.828
   53    HA   LYS   6           HA       LYS   6   2.151   2.354  -4.310
   54   1HB   LYS   6          HB2       LYS   6   1.293   3.789  -6.247
   55   2HB   LYS   6          HB1       LYS   6  -0.325   3.372  -5.702
   56   1HG   LYS   6          HG2       LYS   6  -0.114   4.572  -3.734
   57   2HG   LYS   6          HG1       LYS   6   1.650   4.552  -3.795
   58   1HD   LYS   6          HD2       LYS   6   1.747   6.379  -5.107
   59   2HD   LYS   6          HD1       LYS   6   0.357   5.880  -6.073
   60   1HE   LYS   6          HE2       LYS   6  -0.730   7.542  -5.042
   61   2HE   LYS   6          HE1       LYS   6  -0.788   6.455  -3.654
   62   1HZ   LYS   6          HZ1       LYS   6   1.548   8.202  -4.048
   63   2HZ   LYS   6          HZ2       LYS   6   0.932   7.548  -2.615
   64   3HZ   LYS   6          HZ3       LYS   6   0.133   8.834  -3.368
   65    H    ARG   7           HN       ARG   7  -0.868   0.876  -5.412
   66    HA   ARG   7           HA       ARG   7  -2.254   1.041  -2.968
   67   1HB   ARG   7          HB2       ARG   7  -2.535  -0.465  -5.489
   68   2HB   ARG   7          HB1       ARG   7  -3.243  -1.241  -4.079
   69   1HG   ARG   7          HG2       ARG   7  -3.836   1.593  -4.893
   70   2HG   ARG   7          HG1       ARG   7  -4.803   0.202  -5.388
   71   1HD   ARG   7          HD2       ARG   7  -5.894   0.213  -3.453
   72   2HD   ARG   7          HD1       ARG   7  -4.380   0.127  -2.554
   73    HE   ARG   7           HE       ARG   7  -4.700   2.758  -3.396
   74   1HH1  ARG   7          HH11      ARG   7  -6.299   0.487  -1.283
   75   2HH1  ARG   7          HH12      ARG   7  -6.910   1.712  -0.223
   76   1HH2  ARG   7          HH21      ARG   7  -5.503   4.371  -2.002
   77   2HH2  ARG   7          HH22      ARG   7  -6.459   3.917  -0.631
   78    H    LEU   8           HN       LEU   8   0.112  -1.217  -4.221
   79    HA   LEU   8           HA       LEU   8  -0.224  -3.256  -2.305
   80   1HB   LEU   8          HB2       LEU   8   1.161  -3.178  -4.527
   81   2HB   LEU   8          HB1       LEU   8   2.450  -2.608  -3.485
   82    HG   LEU   8           HG       LEU   8   2.713  -4.967  -3.767
   83   1HD1  LEU   8          HD11      LEU   8   1.452  -4.832  -1.067
   84   2HD1  LEU   8          HD12      LEU   8   2.861  -3.833  -1.423
   85   3HD1  LEU   8          HD13      LEU   8   2.966  -5.587  -1.567
   86   1HD2  LEU   8          HD21      LEU   8   0.122  -5.656  -2.512
   87   2HD2  LEU   8          HD22      LEU   8   1.060  -6.521  -3.729
   88   3HD2  LEU   8          HD23      LEU   8   0.087  -5.126  -4.194
   89    H    GLU   9           HN       GLU   9   1.675  -0.288  -2.338
   90    HA   GLU   9           HA       GLU   9   3.111  -0.820   0.053
   91   1HB   GLU   9          HB2       GLU   9   3.474   0.993  -1.832
   92   2HB   GLU   9          HB1       GLU   9   2.452   1.975  -0.791
   93   1HG   GLU   9          HG2       GLU   9   4.248   0.983   0.992
   94   2HG   GLU   9          HG1       GLU   9   5.235   1.140  -0.460
   95    H    LYS  10           HN       LYS  10  -0.031   0.530  -0.659
   96    HA   LYS  10           HA       LYS  10  -0.510   1.610   1.933
   97   1HB   LYS  10          HB2       LYS  10  -1.933   1.382  -0.566
   98   2HB   LYS  10          HB1       LYS  10  -2.987   0.924   0.765
   99   1HG   LYS  10          HG2       LYS  10  -3.162   3.025   1.506
  100   2HG   LYS  10          HG1       LYS  10  -1.446   3.356   1.264
  101   1HD   LYS  10          HD2       LYS  10  -2.194   3.272  -1.288
  102   2HD   LYS  10          HD1       LYS  10  -3.740   3.742  -0.580
  103   1HE   LYS  10          HE2       LYS  10  -2.926   5.829  -0.765
  104   2HE   LYS  10          HE1       LYS  10  -2.050   5.422   0.710
  105   1HZ   LYS  10          HZ1       LYS  10  -0.187   4.688  -0.715
  106   2HZ   LYS  10          HZ2       LYS  10  -0.528   6.337  -0.866
  107   3HZ   LYS  10          HZ3       LYS  10  -1.024   5.258  -2.070
  108    H    LEU  11           HN       LEU  11  -1.012  -1.504   0.399
  109    HA   LEU  11           HA       LEU  11  -2.627  -2.645   2.423
  110   1HB   LEU  11          HB2       LEU  11  -1.908  -3.443  -0.035
  111   2HB   LEU  11          HB1       LEU  11  -0.756  -4.376   0.902
  112    HG   LEU  11           HG       LEU  11  -3.617  -4.497   1.713
  113   1HD1  LEU  11          HD11      LEU  11  -3.704  -4.711  -0.726
  114   2HD1  LEU  11          HD12      LEU  11  -4.088  -6.233   0.080
  115   3HD1  LEU  11          HD13      LEU  11  -2.500  -5.997  -0.652
  116   1HD2  LEU  11          HD21      LEU  11  -1.390  -5.686   2.635
  117   2HD2  LEU  11          HD22      LEU  11  -1.902  -6.882   1.444
  118   3HD2  LEU  11          HD23      LEU  11  -2.996  -6.407   2.743
  119    H    PHE  12           HN       PHE  12   0.826  -2.244   2.015
  120    HA   PHE  12           HA       PHE  12   1.647  -4.043   4.040
  121   1HB   PHE  12          HB2       PHE  12   3.172  -3.134   2.305
  122   2HB   PHE  12          HB1       PHE  12   3.050  -1.546   3.056
  123    HD1  PHE  12           HD1      PHE  12   3.572  -4.982   4.417
  124    HD2  PHE  12           HD2      PHE  12   5.029  -0.999   4.071
  125    HE1  PHE  12           HE1      PHE  12   5.451  -5.545   5.902
  126    HE2  PHE  12           HE2      PHE  12   6.912  -1.555   5.554
  127    HZ   PHE  12           HZ       PHE  12   7.125  -3.831   6.471
  128    H    SER  13           HN       SER  13   0.616  -0.691   4.049
  129    HA   SER  13           HA       SER  13   1.378  -0.176   6.745
  130   1HB   SER  13          HB2       SER  13  -0.427   1.227   4.788
  131   2HB   SER  13          HB1       SER  13  -0.303   1.767   6.462
  132    HG   SER  13           HG       SER  13   1.835   2.221   6.155
  133    H    LYS  14           HN       LYS  14  -1.163  -1.883   5.305
  134    HA   LYS  14           HA       LYS  14  -2.995  -1.585   7.519
  135   1HB   LYS  14          HB2       LYS  14  -3.054  -2.894   4.863
  136   2HB   LYS  14          HB1       LYS  14  -4.047  -3.628   6.115
  137   1HG   LYS  14          HG2       LYS  14  -5.512  -1.914   6.151
  138   2HG   LYS  14          HG1       LYS  14  -4.270  -0.701   5.833
  139   1HD   LYS  14          HD2       LYS  14  -5.544  -0.689   3.884
  140   2HD   LYS  14          HD1       LYS  14  -4.182  -1.732   3.471
  141   1HE   LYS  14          HE2       LYS  14  -5.831  -3.099   2.746
  142   2HE   LYS  14          HE1       LYS  14  -5.868  -3.573   4.444
  143   1HZ   LYS  14          HZ1       LYS  14  -7.530  -1.507   4.488
  144   2HZ   LYS  14          HZ2       LYS  14  -8.041  -3.094   4.204
  145   3HZ   LYS  14          HZ3       LYS  14  -7.797  -2.040   2.904
  146    H    ILE  15           HN       ILE  15  -0.398  -3.585   6.627
  147    HA   ILE  15           HA       ILE  15  -1.169  -5.814   8.308
  148    HB   ILE  15           HB       ILE  15   1.497  -5.326   6.978
  149   1HG1  ILE  15          HG12      ILE  15  -0.652  -7.125   5.894
  150   2HG1  ILE  15          HG11      ILE  15  -0.636  -5.411   5.490
  151   1HG2  ILE  15          HG21      ILE  15   0.216  -7.870   7.966
  152   2HG2  ILE  15          HG22      ILE  15   1.499  -6.983   8.790
  153   3HG2  ILE  15          HG23      ILE  15   1.806  -7.721   7.217
  154   1HD1  ILE  15          HD11      ILE  15   1.286  -7.554   4.731
  155   2HD1  ILE  15          HD12      ILE  15   1.830  -5.878   4.812
  156   3HD1  ILE  15          HD13      ILE  15   0.512  -6.325   3.730
  157    H    GLN  16           HN       GLN  16   0.836  -2.960   8.481
  158    HA   GLN  16           HA       GLN  16   1.264  -3.476  11.322
  159   1HB   GLN  16          HB2       GLN  16   3.331  -3.666   9.322
  160   2HB   GLN  16          HB1       GLN  16   3.688  -2.350  10.431
  161   1HG   GLN  16          HG2       GLN  16   2.861  -4.964  11.569
  162   2HG   GLN  16          HG1       GLN  16   4.484  -4.812  10.898
  163   1HE2  GLN  16          HE21      GLN  16   2.355  -2.717  12.820
  164   2HE2  GLN  16          HE22      GLN  16   3.517  -2.381  14.054
  165    H    ASN  17           HN       ASN  17  -0.431  -1.808  11.303
  166    HA   ASN  17           HA       ASN  17   0.477   0.873  10.579
  167   1HB   ASN  17          HB2       ASN  17  -1.922  -0.228  10.194
  168   2HB   ASN  17          HB1       ASN  17  -2.195   0.409  11.813
  169   1HD2  ASN  17          HD21      ASN  17  -2.616   2.511  12.059
  170   2HD2  ASN  17          HD22      ASN  17  -2.585   3.681  10.788
  171    H    ASP  18           HN       ASP  18   1.642   1.907  12.057
  172    HA   ASP  18           HA       ASP  18   1.740   1.257  14.788
  173   1HB   ASP  18          HB2       ASP  18   2.927   3.244  13.022
  174   2HB   ASP  18          HB1       ASP  18   2.586   3.905  14.619
  175    H    LYS  19           HN       LYS  19   0.708   4.435  13.574
  176    HA   LYS  19           HA       LYS  19  -1.175   4.609  15.805
  177   1HB   LYS  19          HB2       LYS  19  -0.073   6.683  13.907
  178   2HB   LYS  19          HB1       LYS  19  -1.332   7.028  15.086
  179   1HG   LYS  19          HG2       LYS  19   0.468   5.943  16.722
  180   2HG   LYS  19          HG1       LYS  19   1.559   6.553  15.476
  181   1HD   LYS  19          HD2       LYS  19  -0.288   8.611  15.956
  182   2HD   LYS  19          HD1       LYS  19   0.162   7.987  17.544
  183   1HE   LYS  19          HE2       LYS  19   2.582   8.106  16.318
  184   2HE   LYS  19          HE1       LYS  19   1.755   9.470  15.569
  185   1HZ   LYS  19          HZ1       LYS  19   2.478  10.536  17.392
  186   2HZ   LYS  19          HZ2       LYS  19   2.649   9.123  18.305
  187   3HZ   LYS  19          HZ3       LYS  19   1.126   9.838  18.133
  188   1HN   NH2  20          NH1       NH2  20  -1.197   5.594  12.388
  189   2HN   NH2  20          NH2       NH2  20  -2.848   5.179  12.096
  Start of MODEL    4
    1   1H    ALA   1          HT1       ALA   1  -0.604   1.479 -18.638
    2   2H    ALA   1          HT2       ALA   1   0.538   0.442 -17.885
    3   3H    ALA   1          HT3       ALA   1   1.071   1.820 -18.758
    4    HA   ALA   1           HA       ALA   1   1.246   2.526 -16.645
    5   1HB   ALA   1          HB1       ALA   1  -0.108   4.328 -16.644
    6   2HB   ALA   1          HB2       ALA   1  -1.573   3.362 -16.819
    7   3HB   ALA   1          HB3       ALA   1  -0.577   3.716 -18.230
    8    H    LYS   2           HN       LYS   2   1.019   0.014 -15.992
    9    HA   LYS   2           HA       LYS   2  -1.273  -0.295 -14.194
   10   1HB   LYS   2          HB2       LYS   2  -0.375  -2.090 -15.911
   11   2HB   LYS   2          HB1       LYS   2   0.756  -2.450 -14.613
   12   1HG   LYS   2          HG2       LYS   2  -0.881  -3.250 -13.220
   13   2HG   LYS   2          HG1       LYS   2  -2.153  -2.304 -13.994
   14   1HD   LYS   2          HD2       LYS   2  -0.861  -4.275 -15.743
   15   2HD   LYS   2          HD1       LYS   2  -1.740  -4.969 -14.379
   16   1HE   LYS   2          HE2       LYS   2  -3.759  -4.292 -15.159
   17   2HE   LYS   2          HE1       LYS   2  -3.107  -2.819 -15.876
   18   1HZ   LYS   2          HZ1       LYS   2  -2.120  -4.242 -17.632
   19   2HZ   LYS   2          HZ2       LYS   2  -3.811  -4.254 -17.620
   20   3HZ   LYS   2          HZ3       LYS   2  -2.953  -5.566 -16.986
   21    H    LYS   3           HN       LYS   3   0.224   1.582 -13.180
   22    HA   LYS   3           HA       LYS   3   2.223   0.436 -11.377
   23   1HB   LYS   3          HB2       LYS   3   2.736   2.738 -10.780
   24   2HB   LYS   3          HB1       LYS   3   2.722   2.562 -12.529
   25   1HG   LYS   3          HG2       LYS   3   1.128   4.090 -12.760
   26   2HG   LYS   3          HG1       LYS   3   0.124   3.334 -11.521
   27   1HD   LYS   3          HD2       LYS   3   0.845   4.734  -9.902
   28   2HD   LYS   3          HD1       LYS   3   2.495   4.770 -10.526
   29   1HE   LYS   3          HE2       LYS   3   0.447   6.081 -12.197
   30   2HE   LYS   3          HE1       LYS   3   0.795   6.857 -10.653
   31   1HZ   LYS   3          HZ1       LYS   3   2.182   7.339 -12.849
   32   2HZ   LYS   3          HZ2       LYS   3   3.092   6.046 -12.247
   33   3HZ   LYS   3          HZ3       LYS   3   2.864   7.431 -11.303
   34    H    VAL   4           HN       VAL   4  -0.334  -0.499 -10.910
   35    HA   VAL   4           HA       VAL   4  -1.582   0.917  -8.763
   36    HB   VAL   4           HB       VAL   4  -2.841  -0.764 -10.050
   37   1HG1  VAL   4          HG11      VAL   4  -1.479  -3.023  -8.702
   38   2HG1  VAL   4          HG12      VAL   4  -0.646  -2.270 -10.062
   39   3HG1  VAL   4          HG13      VAL   4  -2.260  -2.947 -10.281
   40   1HG2  VAL   4          HG21      VAL   4  -3.925  -1.880  -8.204
   41   2HG2  VAL   4          HG22      VAL   4  -3.483  -0.243  -7.718
   42   3HG2  VAL   4          HG23      VAL   4  -2.518  -1.616  -7.174
   43    H    PHE   5           HN       PHE   5   1.267  -0.632  -9.158
   44    HA   PHE   5           HA       PHE   5   1.867  -2.113  -6.973
   45   1HB   PHE   5          HB2       PHE   5   3.319  -1.684  -8.947
   46   2HB   PHE   5          HB1       PHE   5   3.632  -0.071  -8.326
   47    HD1  PHE   5           HD1      PHE   5   5.877  -0.022  -7.776
   48    HD2  PHE   5           HD2      PHE   5   3.515  -3.342  -6.547
   49    HE1  PHE   5           HE1      PHE   5   7.778  -0.888  -6.475
   50    HE2  PHE   5           HE2      PHE   5   5.411  -4.213  -5.243
   51    HZ   PHE   5           HZ       PHE   5   7.546  -2.985  -5.205
   52    H    LYS   6           HN       LYS   6   1.311   1.242  -7.140
   53    HA   LYS   6           HA       LYS   6   2.595   1.999  -4.718
   54   1HB   LYS   6          HB2       LYS   6   2.017   3.619  -6.502
   55   2HB   LYS   6          HB1       LYS   6   0.311   3.354  -6.171
   56   1HG   LYS   6          HG2       LYS   6   0.454   5.086  -4.789
   57   2HG   LYS   6          HG1       LYS   6   1.333   4.011  -3.701
   58   1HD   LYS   6          HD2       LYS   6   2.971   5.225  -5.814
   59   2HD   LYS   6          HD1       LYS   6   2.288   6.373  -4.661
   60   1HE   LYS   6          HE2       LYS   6   3.674   3.883  -3.732
   61   2HE   LYS   6          HE1       LYS   6   4.592   5.327  -4.156
   62   1HZ   LYS   6          HZ1       LYS   6   2.742   6.364  -2.547
   63   2HZ   LYS   6          HZ2       LYS   6   4.247   5.818  -2.004
   64   3HZ   LYS   6          HZ3       LYS   6   2.887   4.823  -1.864
   65    H    ARG   7           HN       ARG   7  -0.621   0.885  -5.584
   66    HA   ARG   7           HA       ARG   7  -1.890   1.400  -3.125
   67   1HB   ARG   7          HB2       ARG   7  -2.412  -0.657  -5.271
   68   2HB   ARG   7          HB1       ARG   7  -3.436  -0.485  -3.852
   69   1HG   ARG   7          HG2       ARG   7  -2.872   1.885  -5.578
   70   2HG   ARG   7          HG1       ARG   7  -4.084   0.699  -6.064
   71   1HD   ARG   7          HD2       ARG   7  -5.363   1.076  -4.098
   72   2HD   ARG   7          HD1       ARG   7  -4.071   2.022  -3.361
   73    HE   ARG   7           HE       ARG   7  -4.639   3.432  -5.585
   74   1HH1  ARG   7          HH11      ARG   7  -6.645   2.150  -3.032
   75   2HH1  ARG   7          HH12      ARG   7  -7.833   3.402  -3.167
   76   1HH2  ARG   7          HH21      ARG   7  -6.202   5.079  -5.763
   77   2HH2  ARG   7          HH22      ARG   7  -7.582   5.064  -4.718
   78    H    LEU   8           HN       LEU   8   0.178  -1.194  -4.248
   79    HA   LEU   8           HA       LEU   8  -0.320  -3.056  -2.204
   80   1HB   LEU   8          HB2       LEU   8   2.018  -2.532  -4.010
   81   2HB   LEU   8          HB1       LEU   8   2.133  -3.737  -2.742
   82    HG   LEU   8           HG       LEU   8  -0.024  -3.791  -4.844
   83   1HD1  LEU   8          HD11      LEU   8   1.700  -4.164  -6.257
   84   2HD1  LEU   8          HD12      LEU   8   1.597  -5.789  -5.578
   85   3HD1  LEU   8          HD13      LEU   8   2.798  -4.652  -4.966
   86   1HD2  LEU   8          HD21      LEU   8  -0.258  -6.107  -4.164
   87   2HD2  LEU   8          HD22      LEU   8  -0.449  -5.042  -2.771
   88   3HD2  LEU   8          HD23      LEU   8   1.060  -5.923  -3.007
   89    H    GLU   9           HN       GLU   9   1.915  -0.323  -2.420
   90    HA   GLU   9           HA       GLU   9   3.263  -0.815   0.015
   91   1HB   GLU   9          HB2       GLU   9   2.790   1.803  -1.429
   92   2HB   GLU   9          HB1       GLU   9   3.945   1.561  -0.125
   93   1HG   GLU   9          HG2       GLU   9   4.211  -0.267  -2.414
   94   2HG   GLU   9          HG1       GLU   9   4.562   1.430  -2.740
   95    H    LYS  10           HN       LYS  10   0.280   0.819  -0.803
   96    HA   LYS  10           HA       LYS  10  -0.156   2.085   1.685
   97   1HB   LYS  10          HB2       LYS  10  -1.741   1.481  -0.727
   98   2HB   LYS  10          HB1       LYS  10  -2.679   1.612   0.754
   99   1HG   LYS  10          HG2       LYS  10  -0.834   3.701  -0.383
  100   2HG   LYS  10          HG1       LYS  10  -2.598   3.742  -0.379
  101   1HD   LYS  10          HD2       LYS  10  -2.353   3.520   2.191
  102   2HD   LYS  10          HD1       LYS  10  -0.693   4.049   1.912
  103   1HE   LYS  10          HE2       LYS  10  -2.048   5.871   0.447
  104   2HE   LYS  10          HE1       LYS  10  -3.221   5.548   1.723
  105   1HZ   LYS  10          HZ1       LYS  10  -0.479   5.976   2.585
  106   2HZ   LYS  10          HZ2       LYS  10  -1.927   6.508   3.277
  107   3HZ   LYS  10          HZ3       LYS  10  -1.272   7.330   1.952
  108    H    LEU  11           HN       LEU  11  -0.892  -1.116   0.425
  109    HA   LEU  11           HA       LEU  11  -2.551  -1.998   2.515
  110   1HB   LEU  11          HB2       LEU  11  -1.237  -3.137   0.226
  111   2HB   LEU  11          HB1       LEU  11  -1.037  -4.204   1.603
  112    HG   LEU  11           HG       LEU  11  -3.517  -4.159   1.920
  113   1HD1  LEU  11          HD11      LEU  11  -3.540  -1.966   0.398
  114   2HD1  LEU  11          HD12      LEU  11  -4.935  -3.033   0.562
  115   3HD1  LEU  11          HD13      LEU  11  -3.878  -3.173  -0.843
  116   1HD2  LEU  11          HD21      LEU  11  -2.619  -5.110  -0.795
  117   2HD2  LEU  11          HD22      LEU  11  -3.982  -5.718   0.145
  118   3HD2  LEU  11          HD23      LEU  11  -2.333  -5.970   0.718
  119    H    PHE  12           HN       PHE  12   0.954  -1.914   2.152
  120    HA   PHE  12           HA       PHE  12   1.586  -3.476   4.415
  121   1HB   PHE  12          HB2       PHE  12   3.166  -2.753   2.554
  122   2HB   PHE  12          HB1       PHE  12   3.247  -1.186   3.353
  123    HD1  PHE  12           HD1      PHE  12   3.203  -4.615   4.794
  124    HD2  PHE  12           HD2      PHE  12   5.389  -1.013   4.199
  125    HE1  PHE  12           HE1      PHE  12   4.987  -5.461   6.263
  126    HE2  PHE  12           HE2      PHE  12   7.178  -1.852   5.665
  127    HZ   PHE  12           HZ       PHE  12   6.978  -4.078   6.699
  128    H    SER  13           HN       SER  13   0.754  -0.104   3.994
  129    HA   SER  13           HA       SER  13   1.497   0.726   6.607
  130   1HB   SER  13          HB2       SER  13   0.779   2.059   4.348
  131   2HB   SER  13          HB1       SER  13  -0.706   2.187   5.291
  132    HG   SER  13           HG       SER  13   1.261   3.757   5.531
  133    H    LYS  14           HN       LYS  14  -1.100  -1.061   5.360
  134    HA   LYS  14           HA       LYS  14  -2.944  -0.449   7.486
  135   1HB   LYS  14          HB2       LYS  14  -3.467  -1.221   5.039
  136   2HB   LYS  14          HB1       LYS  14  -3.223  -2.833   5.698
  137   1HG   LYS  14          HG2       LYS  14  -4.919  -1.647   7.521
  138   2HG   LYS  14          HG1       LYS  14  -5.482  -1.033   5.966
  139   1HD   LYS  14          HD2       LYS  14  -6.222  -3.055   5.292
  140   2HD   LYS  14          HD1       LYS  14  -4.868  -3.911   6.034
  141   1HE   LYS  14          HE2       LYS  14  -6.461  -4.632   7.459
  142   2HE   LYS  14          HE1       LYS  14  -6.160  -3.082   8.241
  143   1HZ   LYS  14          HZ1       LYS  14  -8.324  -3.697   6.304
  144   2HZ   LYS  14          HZ2       LYS  14  -7.997  -2.152   6.910
  145   3HZ   LYS  14          HZ3       LYS  14  -8.504  -3.380   7.957
  146    H    ILE  15           HN       ILE  15  -0.336  -2.561   6.984
  147    HA   ILE  15           HA       ILE  15  -1.181  -4.533   8.928
  148    HB   ILE  15           HB       ILE  15   1.555  -4.217   7.695
  149   1HG1  ILE  15          HG12      ILE  15  -0.191  -4.424   5.954
  150   2HG1  ILE  15          HG11      ILE  15   0.856  -5.838   6.013
  151   1HG2  ILE  15          HG21      ILE  15   0.258  -6.204   9.444
  152   2HG2  ILE  15          HG22      ILE  15   1.956  -5.751   9.300
  153   3HG2  ILE  15          HG23      ILE  15   1.234  -6.852   8.126
  154   1HD1  ILE  15          HD11      ILE  15  -0.849  -7.061   7.241
  155   2HD1  ILE  15          HD12      ILE  15  -1.479  -6.452   5.710
  156   3HD1  ILE  15          HD13      ILE  15  -1.893  -5.640   7.220
  157    H    GLN  16           HN       GLN  16   0.803  -1.666   8.798
  158    HA   GLN  16           HA       GLN  16   1.601  -2.094  11.600
  159   1HB   GLN  16          HB2       GLN  16   3.391  -0.475  11.195
  160   2HB   GLN  16          HB1       GLN  16   3.482  -1.813  10.059
  161   1HG   GLN  16          HG2       GLN  16   3.487  -0.377   8.384
  162   2HG   GLN  16          HG1       GLN  16   1.883   0.177   8.862
  163   1HE2  GLN  16          HE21      GLN  16   1.690   2.231   9.393
  164   2HE2  GLN  16          HE22      GLN  16   2.978   3.290   9.845
  165    H    ASN  17           HN       ASN  17  -1.007  -1.129  10.717
  166    HA   ASN  17           HA       ASN  17  -1.197   1.676  11.003
  167   1HB   ASN  17          HB2       ASN  17  -2.950   0.191   9.994
  168   2HB   ASN  17          HB1       ASN  17  -3.340  -0.368  11.618
  169   1HD2  ASN  17          HD21      ASN  17  -5.473   0.446  11.079
  170   2HD2  ASN  17          HD22      ASN  17  -5.818   2.122  11.320
  171    H    ASP  18           HN       ASP  18  -1.430  -0.992  13.305
  172    HA   ASP  18           HA       ASP  18  -2.305   0.446  15.534
  173   1HB   ASP  18          HB2       ASP  18  -1.213  -1.392  16.861
  174   2HB   ASP  18          HB1       ASP  18  -2.314  -1.949  15.605
  175    H    LYS  19           HN       LYS  19   0.856   0.174  14.082
  176    HA   LYS  19           HA       LYS  19   2.101   1.579  16.321
  177   1HB   LYS  19          HB2       LYS  19   3.052  -0.448  14.834
  178   2HB   LYS  19          HB1       LYS  19   3.669   0.903  13.894
  179   1HG   LYS  19          HG2       LYS  19   4.128   1.201  16.754
  180   2HG   LYS  19          HG1       LYS  19   4.887  -0.237  16.069
  181   1HD   LYS  19          HD2       LYS  19   5.195   2.212  14.472
  182   2HD   LYS  19          HD1       LYS  19   5.989   2.245  16.048
  183   1HE   LYS  19          HE2       LYS  19   6.347  -0.219  14.464
  184   2HE   LYS  19          HE1       LYS  19   7.116   1.231  13.821
  185   1HZ   LYS  19          HZ1       LYS  19   7.490   0.749  16.661
  186   2HZ   LYS  19          HZ2       LYS  19   8.591   1.299  15.501
  187   3HZ   LYS  19          HZ3       LYS  19   8.250  -0.352  15.626
  188   1HN   NH2  20          NH1       NH2  20   0.246   3.110  15.029
  189   2HN   NH2  20          NH2       NH2  20   1.027   4.366  14.136
  Start of MODEL    5
    1   1H    ALA   1          HT1       ALA   1  -2.984  -0.512 -16.947
    2   2H    ALA   1          HT2       ALA   1  -1.786   0.294 -17.874
    3   3H    ALA   1          HT3       ALA   1  -3.317   1.028 -17.624
    4    HA   ALA   1           HA       ALA   1  -1.417   1.870 -16.279
    5   1HB   ALA   1          HB1       ALA   1  -4.066   1.818 -15.834
    6   2HB   ALA   1          HB2       ALA   1  -2.911   2.590 -14.748
    7   3HB   ALA   1          HB3       ALA   1  -3.500   0.965 -14.398
    8    H    LYS   2           HN       LYS   2   0.431   0.662 -15.982
    9    HA   LYS   2           HA       LYS   2   0.287  -1.638 -14.172
   10   1HB   LYS   2          HB2       LYS   2   1.504  -1.713 -16.426
   11   2HB   LYS   2          HB1       LYS   2   2.729  -0.705 -15.668
   12   1HG   LYS   2          HG2       LYS   2   2.182  -2.914 -13.956
   13   2HG   LYS   2          HG1       LYS   2   2.469  -3.515 -15.590
   14   1HD   LYS   2          HD2       LYS   2   4.285  -1.640 -14.074
   15   2HD   LYS   2          HD1       LYS   2   4.541  -3.375 -14.267
   16   1HE   LYS   2          HE2       LYS   2   4.082  -2.059 -16.809
   17   2HE   LYS   2          HE1       LYS   2   5.451  -1.359 -15.947
   18   1HZ   LYS   2          HZ1       LYS   2   6.408  -3.566 -15.740
   19   2HZ   LYS   2          HZ2       LYS   2   6.135  -3.190 -17.367
   20   3HZ   LYS   2          HZ3       LYS   2   5.090  -4.243 -16.556
   21    H    LYS   3           HN       LYS   3  -0.190   0.658 -12.842
   22    HA   LYS   3           HA       LYS   3   2.269   0.979 -11.256
   23   1HB   LYS   3          HB2       LYS   3   1.304   2.979 -12.893
   24   2HB   LYS   3          HB1       LYS   3   0.580   3.381 -11.342
   25   1HG   LYS   3          HG2       LYS   3   3.417   2.697 -11.182
   26   2HG   LYS   3          HG1       LYS   3   3.071   4.121 -12.164
   27   1HD   LYS   3          HD2       LYS   3   3.149   5.184 -10.174
   28   2HD   LYS   3          HD1       LYS   3   1.487   4.607 -10.034
   29   1HE   LYS   3          HE2       LYS   3   2.506   4.022  -8.002
   30   2HE   LYS   3          HE1       LYS   3   2.470   2.530  -8.941
   31   1HZ   LYS   3          HZ1       LYS   3   4.856   4.179  -9.205
   32   2HZ   LYS   3          HZ2       LYS   3   4.705   2.496  -9.143
   33   3HZ   LYS   3          HZ3       LYS   3   4.641   3.403  -7.717
   34    H    VAL   4           HN       VAL   4   0.150  -0.754 -10.774
   35    HA   VAL   4           HA       VAL   4  -1.600   0.354  -8.788
   36    HB   VAL   4           HB       VAL   4  -0.804  -2.545  -9.154
   37   1HG1  VAL   4          HG11      VAL   4  -2.927  -1.150  -7.579
   38   2HG1  VAL   4          HG12      VAL   4  -1.845  -2.456  -7.094
   39   3HG1  VAL   4          HG13      VAL   4  -3.200  -2.789  -8.173
   40   1HG2  VAL   4          HG21      VAL   4  -1.759  -1.460 -11.208
   41   2HG2  VAL   4          HG22      VAL   4  -3.239  -1.183 -10.290
   42   3HG2  VAL   4          HG23      VAL   4  -2.682  -2.829 -10.589
   43    H    PHE   5           HN       PHE   5   1.601  -0.166  -8.998
   44    HA   PHE   5           HA       PHE   5   2.531  -1.268  -6.692
   45   1HB   PHE   5          HB2       PHE   5   3.864  -0.537  -8.665
   46   2HB   PHE   5          HB1       PHE   5   3.650   1.128  -8.148
   47    HD1  PHE   5           HD1      PHE   5   4.888   2.025  -6.290
   48    HD2  PHE   5           HD2      PHE   5   5.303  -2.060  -7.410
   49    HE1  PHE   5           HE1      PHE   5   6.898   1.847  -4.881
   50    HE2  PHE   5           HE2      PHE   5   7.313  -2.246  -6.003
   51    HZ   PHE   5           HZ       PHE   5   8.112  -0.291  -4.736
   52    H    LYS   6           HN       LYS   6   0.933   1.702  -7.116
   53    HA   LYS   6           HA       LYS   6   1.828   2.990  -4.738
   54   1HB   LYS   6          HB2       LYS   6   0.670   4.016  -6.837
   55   2HB   LYS   6          HB1       LYS   6  -0.824   3.560  -6.030
   56   1HG   LYS   6          HG2       LYS   6  -0.287   4.950  -4.141
   57   2HG   LYS   6          HG1       LYS   6   1.297   5.322  -4.823
   58   1HD   LYS   6          HD2       LYS   6   0.070   7.190  -5.413
   59   2HD   LYS   6          HD1       LYS   6  -0.077   6.186  -6.856
   60   1HE   LYS   6          HE2       LYS   6  -2.280   6.488  -6.652
   61   2HE   LYS   6          HE1       LYS   6  -2.188   5.347  -5.310
   62   1HZ   LYS   6          HZ1       LYS   6  -3.229   7.739  -5.041
   63   2HZ   LYS   6          HZ2       LYS   6  -1.618   8.154  -4.733
   64   3HZ   LYS   6          HZ3       LYS   6  -2.388   6.988  -3.779
   65    H    ARG   7           HN       ARG   7  -1.008   1.051  -5.598
   66    HA   ARG   7           HA       ARG   7  -2.316   1.252  -3.111
   67   1HB   ARG   7          HB2       ARG   7  -2.451  -0.624  -5.429
   68   2HB   ARG   7          HB1       ARG   7  -3.201  -1.116  -3.916
   69   1HG   ARG   7          HG2       ARG   7  -4.851  -0.087  -5.318
   70   2HG   ARG   7          HG1       ARG   7  -4.529   0.966  -3.939
   71   1HD   ARG   7          HD2       ARG   7  -3.475   2.550  -5.218
   72   2HD   ARG   7          HD1       ARG   7  -2.969   1.382  -6.439
   73    HE   ARG   7           HE       ARG   7  -4.941   1.736  -7.552
   74   1HH1  ARG   7          HH11      ARG   7  -5.191   3.081  -4.340
   75   2HH1  ARG   7          HH12      ARG   7  -6.698   3.873  -4.654
   76   1HH2  ARG   7          HH21      ARG   7  -6.924   2.778  -7.966
   77   2HH2  ARG   7          HH22      ARG   7  -7.683   3.701  -6.712
   78    H    LEU   8           HN       LEU   8   0.282  -0.764  -4.294
   79    HA   LEU   8           HA       LEU   8   0.261  -2.699  -2.241
   80   1HB   LEU   8          HB2       LEU   8   2.221  -1.761  -4.272
   81   2HB   LEU   8          HB1       LEU   8   2.843  -2.689  -2.920
   82    HG   LEU   8           HG       LEU   8   0.564  -3.708  -4.591
   83   1HD1  LEU   8          HD11      LEU   8   1.922  -4.526  -6.208
   84   2HD1  LEU   8          HD12      LEU   8   3.307  -4.674  -5.127
   85   3HD1  LEU   8          HD13      LEU   8   2.868  -3.099  -5.787
   86   1HD2  LEU   8          HD21      LEU   8   2.351  -4.752  -2.479
   87   2HD2  LEU   8          HD22      LEU   8   1.939  -5.856  -3.791
   88   3HD2  LEU   8          HD23      LEU   8   0.661  -5.121  -2.824
   89    H    GLU   9           HN       GLU   9   1.630   0.520  -2.499
   90    HA   GLU   9           HA       GLU   9   3.287   0.362  -0.199
   91   1HB   GLU   9          HB2       GLU   9   3.088   2.149  -2.188
   92   2HB   GLU   9          HB1       GLU   9   2.110   2.978  -0.984
   93   1HG   GLU   9          HG2       GLU   9   3.984   3.794  -0.143
   94   2HG   GLU   9          HG1       GLU   9   4.383   2.163   0.392
   95    H    LYS  10           HN       LYS  10  -0.081   1.182  -0.731
   96    HA   LYS  10           HA       LYS  10  -0.560   2.218   1.877
   97   1HB   LYS  10          HB2       LYS  10  -2.252   1.326  -0.413
   98   2HB   LYS  10          HB1       LYS  10  -3.010   1.450   1.168
   99   1HG   LYS  10          HG2       LYS  10  -1.392   3.752   0.233
  100   2HG   LYS  10          HG1       LYS  10  -2.957   3.472  -0.533
  101   1HD   LYS  10          HD2       LYS  10  -3.347   4.952   1.278
  102   2HD   LYS  10          HD1       LYS  10  -3.942   3.370   1.788
  103   1HE   LYS  10          HE2       LYS  10  -1.128   4.092   2.424
  104   2HE   LYS  10          HE1       LYS  10  -2.414   4.859   3.354
  105   1HZ   LYS  10          HZ1       LYS  10  -2.824   2.980   4.456
  106   2HZ   LYS  10          HZ2       LYS  10  -1.329   2.438   3.882
  107   3HZ   LYS  10          HZ3       LYS  10  -2.749   2.018   3.066
  108    H    LEU  11           HN       LEU  11  -0.679  -0.964   0.410
  109    HA   LEU  11           HA       LEU  11  -1.952  -2.307   2.545
  110   1HB   LEU  11          HB2       LEU  11  -0.412  -3.064   0.142
  111   2HB   LEU  11          HB1       LEU  11  -0.379  -4.233   1.449
  112    HG   LEU  11           HG       LEU  11  -3.020  -3.801   1.358
  113   1HD1  LEU  11          HD11      LEU  11  -3.032  -2.205  -0.409
  114   2HD1  LEU  11          HD12      LEU  11  -3.666  -3.718  -1.058
  115   3HD1  LEU  11          HD13      LEU  11  -2.011  -3.229  -1.420
  116   1HD2  LEU  11          HD21      LEU  11  -3.127  -5.933   0.630
  117   2HD2  LEU  11          HD22      LEU  11  -1.378  -5.872   0.844
  118   3HD2  LEU  11          HD23      LEU  11  -2.080  -5.627  -0.755
  119    H    PHE  12           HN       PHE  12   1.356  -1.349   1.918
  120    HA   PHE  12           HA       PHE  12   2.616  -2.942   3.872
  121   1HB   PHE  12          HB2       PHE  12   3.772  -1.657   2.039
  122   2HB   PHE  12          HB1       PHE  12   3.482  -0.189   2.966
  123    HD1  PHE  12           HD1      PHE  12   4.975   0.478   4.618
  124    HD2  PHE  12           HD2      PHE  12   5.118  -3.515   3.154
  125    HE1  PHE  12           HE1      PHE  12   7.054   0.095   5.878
  126    HE2  PHE  12           HE2      PHE  12   7.196  -3.907   4.412
  127    HZ   PHE  12           HZ       PHE  12   8.167  -2.100   5.776
  128    H    SER  13           HN       SER  13   1.023   0.198   4.007
  129    HA   SER  13           HA       SER  13   1.800   0.782   6.679
  130   1HB   SER  13          HB2       SER  13   0.645   2.244   4.696
  131   2HB   SER  13          HB1       SER  13  -0.751   1.924   5.725
  132    HG   SER  13           HG       SER  13   0.563   3.860   6.207
  133    H    LYS  14           HN       LYS  14  -0.420  -1.374   5.336
  134    HA   LYS  14           HA       LYS  14  -2.182  -1.450   7.624
  135   1HB   LYS  14          HB2       LYS  14  -2.809  -1.928   5.154
  136   2HB   LYS  14          HB1       LYS  14  -2.113  -3.516   5.448
  137   1HG   LYS  14          HG2       LYS  14  -3.711  -3.951   7.191
  138   2HG   LYS  14          HG1       LYS  14  -4.347  -2.309   7.066
  139   1HD   LYS  14          HD2       LYS  14  -5.882  -3.322   5.746
  140   2HD   LYS  14          HD1       LYS  14  -4.636  -3.098   4.516
  141   1HE   LYS  14          HE2       LYS  14  -4.721  -5.298   4.184
  142   2HE   LYS  14          HE1       LYS  14  -3.947  -5.480   5.758
  143   1HZ   LYS  14          HZ1       LYS  14  -6.860  -5.161   5.656
  144   2HZ   LYS  14          HZ2       LYS  14  -5.909  -6.013   6.764
  145   3HZ   LYS  14          HZ3       LYS  14  -6.199  -6.659   5.228
  146    H    ILE  15           HN       ILE  15   0.725  -2.888   6.614
  147    HA   ILE  15           HA       ILE  15   0.475  -5.236   8.291
  148    HB   ILE  15           HB       ILE  15   2.951  -4.224   6.895
  149   1HG1  ILE  15          HG12      ILE  15   0.852  -6.159   5.889
  150   2HG1  ILE  15          HG11      ILE  15   1.120  -4.529   5.280
  151   1HG2  ILE  15          HG21      ILE  15   3.963  -6.153   7.473
  152   2HG2  ILE  15          HG22      ILE  15   2.483  -7.100   7.324
  153   3HG2  ILE  15          HG23      ILE  15   2.775  -6.143   8.777
  154   1HD1  ILE  15          HD11      ILE  15   2.199  -6.812   4.249
  155   2HD1  ILE  15          HD12      ILE  15   3.515  -6.186   5.243
  156   3HD1  ILE  15          HD13      ILE  15   2.806  -5.178   3.981
  157    H    GLN  16           HN       GLN  16   1.895  -2.045   8.429
  158    HA   GLN  16           HA       GLN  16   2.989  -2.677  11.093
  159   1HB   GLN  16          HB2       GLN  16   3.938  -0.917   8.891
  160   2HB   GLN  16          HB1       GLN  16   4.214  -0.367  10.538
  161   1HG   GLN  16          HG2       GLN  16   6.022  -1.632  10.606
  162   2HG   GLN  16          HG1       GLN  16   4.988  -3.055  10.496
  163   1HE2  GLN  16          HE21      GLN  16   7.670  -1.916   9.287
  164   2HE2  GLN  16          HE22      GLN  16   7.579  -2.459   7.649
  165    H    ASN  17           HN       ASN  17   0.223  -1.990  10.495
  166    HA   ASN  17           HA       ASN  17  -0.351   0.701  11.054
  167   1HB   ASN  17          HB2       ASN  17  -1.845  -1.838  10.993
  168   2HB   ASN  17          HB1       ASN  17  -2.522  -0.612  12.061
  169   1HD2  ASN  17          HD21      ASN  17  -3.786  -1.586   9.760
  170   2HD2  ASN  17          HD22      ASN  17  -3.927  -0.288   8.629
  171    H    ASP  18           HN       ASP  18  -0.040   1.841  12.838
  172    HA   ASP  18           HA       ASP  18   0.862   0.663  15.261
  173   1HB   ASP  18          HB2       ASP  18   0.027   3.467  14.527
  174   2HB   ASP  18          HB1       ASP  18   0.560   3.038  16.150
  175    H    LYS  19           HN       LYS  19  -2.020   2.696  14.716
  176    HA   LYS  19           HA       LYS  19  -3.311   1.381  16.988
  177   1HB   LYS  19          HB2       LYS  19  -3.405   4.031  15.815
  178   2HB   LYS  19          HB1       LYS  19  -5.022   3.367  16.009
  179   1HG   LYS  19          HG2       LYS  19  -3.592   2.826  18.389
  180   2HG   LYS  19          HG1       LYS  19  -3.314   4.517  17.968
  181   1HD   LYS  19          HD2       LYS  19  -5.513   5.084  18.226
  182   2HD   LYS  19          HD1       LYS  19  -6.091   3.479  17.778
  183   1HE   LYS  19          HE2       LYS  19  -5.473   2.595  19.922
  184   2HE   LYS  19          HE1       LYS  19  -4.685   4.107  20.368
  185   1HZ   LYS  19          HZ1       LYS  19  -7.135   4.975  19.822
  186   2HZ   LYS  19          HZ2       LYS  19  -6.651   4.481  21.365
  187   3HZ   LYS  19          HZ3       LYS  19  -7.505   3.416  20.366
  188   1HN   NH2  20          NH1       NH2  20  -4.626   2.668  13.960
  189   2HN   NH2  20          NH2       NH2  20  -5.577   1.280  13.570
  Start of MODEL    6
    1   1H    ALA   1          HT1       ALA   1   0.775   3.018 -16.625
    2   2H    ALA   1          HT2       ALA   1   0.373   3.544 -15.041
    3   3H    ALA   1          HT3       ALA   1  -0.270   4.359 -16.408
    4    HA   ALA   1           HA       ALA   1  -1.979   3.072 -15.626
    5   1HB   ALA   1          HB1       ALA   1  -1.227   2.888 -18.123
    6   2HB   ALA   1          HB2       ALA   1  -2.513   1.854 -17.500
    7   3HB   ALA   1          HB3       ALA   1  -0.880   1.216 -17.685
    8    H    LYS   2           HN       LYS   2   0.975   1.127 -15.879
    9    HA   LYS   2           HA       LYS   2  -0.205  -0.953 -14.211
   10   1HB   LYS   2          HB2       LYS   2   1.153  -1.536 -16.224
   11   2HB   LYS   2          HB1       LYS   2   2.557  -0.833 -15.434
   12   1HG   LYS   2          HG2       LYS   2   1.805  -2.541 -13.522
   13   2HG   LYS   2          HG1       LYS   2   1.181  -3.396 -14.934
   14   1HD   LYS   2          HD2       LYS   2   3.878  -2.355 -15.324
   15   2HD   LYS   2          HD1       LYS   2   3.766  -3.504 -13.989
   16   1HE   LYS   2          HE2       LYS   2   3.317  -5.248 -15.354
   17   2HE   LYS   2          HE1       LYS   2   2.353  -4.269 -16.459
   18   1HZ   LYS   2          HZ1       LYS   2   5.272  -3.911 -16.358
   19   2HZ   LYS   2          HZ2       LYS   2   4.203  -3.618 -17.635
   20   3HZ   LYS   2          HZ3       LYS   2   4.618  -5.206 -17.228
   21    H    LYS   3           HN       LYS   3  -0.075   1.298 -12.762
   22    HA   LYS   3           HA       LYS   3   2.264   0.888 -11.001
   23   1HB   LYS   3          HB2       LYS   3   2.049   3.139 -12.227
   24   2HB   LYS   3          HB1       LYS   3   0.683   3.453 -11.165
   25   1HG   LYS   3          HG2       LYS   3   2.215   3.071  -9.225
   26   2HG   LYS   3          HG1       LYS   3   3.550   3.009 -10.376
   27   1HD   LYS   3          HD2       LYS   3   1.980   5.330 -10.916
   28   2HD   LYS   3          HD1       LYS   3   2.349   5.286  -9.192
   29   1HE   LYS   3          HE2       LYS   3   4.740   4.588 -10.392
   30   2HE   LYS   3          HE1       LYS   3   4.085   5.830 -11.459
   31   1HZ   LYS   3          HZ1       LYS   3   4.305   7.420  -9.894
   32   2HZ   LYS   3          HZ2       LYS   3   5.507   6.387  -9.302
   33   3HZ   LYS   3          HZ3       LYS   3   3.966   6.379  -8.603
   34    H    VAL   4           HN       VAL   4  -0.023  -0.669 -10.805
   35    HA   VAL   4           HA       VAL   4  -1.751   0.294  -8.742
   36    HB   VAL   4           HB       VAL   4  -2.445  -1.588 -10.167
   37   1HG1  VAL   4          HG11      VAL   4  -0.145  -3.027  -8.857
   38   2HG1  VAL   4          HG12      VAL   4  -0.356  -2.676 -10.573
   39   3HG1  VAL   4          HG13      VAL   4  -1.421  -3.831  -9.771
   40   1HG2  VAL   4          HG21      VAL   4  -2.135  -2.480  -7.303
   41   2HG2  VAL   4          HG22      VAL   4  -3.362  -3.009  -8.454
   42   3HG2  VAL   4          HG23      VAL   4  -3.358  -1.344  -7.872
   43    H    PHE   5           HN       PHE   5   1.414  -0.534  -8.927
   44    HA   PHE   5           HA       PHE   5   2.159  -1.890  -6.700
   45   1HB   PHE   5          HB2       PHE   5   3.609  -1.082  -8.576
   46   2HB   PHE   5          HB1       PHE   5   3.544   0.524  -7.869
   47    HD1  PHE   5           HD1      PHE   5   5.382   1.150  -6.656
   48    HD2  PHE   5           HD2      PHE   5   4.276  -2.959  -6.721
   49    HE1  PHE   5           HE1      PHE   5   7.323   0.609  -5.243
   50    HE2  PHE   5           HE2      PHE   5   6.213  -3.507  -5.307
   51    HZ   PHE   5           HZ       PHE   5   7.740  -1.722  -4.567
   52    H    LYS   6           HN       LYS   6   0.898   1.264  -6.930
   53    HA   LYS   6           HA       LYS   6   1.782   2.275  -4.433
   54   1HB   LYS   6          HB2       LYS   6   0.414   3.307  -6.615
   55   2HB   LYS   6          HB1       LYS   6  -0.790   3.327  -5.333
   56   1HG   LYS   6          HG2       LYS   6   0.269   5.423  -5.265
   57   2HG   LYS   6          HG1       LYS   6   0.930   4.507  -3.909
   58   1HD   LYS   6          HD2       LYS   6   2.902   3.952  -5.266
   59   2HD   LYS   6          HD1       LYS   6   2.242   4.901  -6.599
   60   1HE   LYS   6          HE2       LYS   6   2.173   6.836  -4.904
   61   2HE   LYS   6          HE1       LYS   6   3.264   5.840  -3.940
   62   1HZ   LYS   6          HZ1       LYS   6   4.743   7.053  -5.159
   63   2HZ   LYS   6          HZ2       LYS   6   3.739   7.161  -6.515
   64   3HZ   LYS   6          HZ3       LYS   6   4.563   5.721  -6.187
   65    H    ARG   7           HN       ARG   7  -1.054   0.479  -5.497
   66    HA   ARG   7           HA       ARG   7  -2.529   0.658  -3.104
   67   1HB   ARG   7          HB2       ARG   7  -2.519  -1.224  -5.432
   68   2HB   ARG   7          HB1       ARG   7  -3.439  -1.645  -3.993
   69   1HG   ARG   7          HG2       ARG   7  -3.774   0.965  -5.445
   70   2HG   ARG   7          HG1       ARG   7  -4.717  -0.479  -5.817
   71   1HD   ARG   7          HD2       ARG   7  -6.133   0.100  -4.207
   72   2HD   ARG   7          HD1       ARG   7  -4.846  -0.179  -3.035
   73    HE   ARG   7           HE       ARG   7  -4.620   2.085  -2.792
   74   1HH1  ARG   7          HH11      ARG   7  -6.478   1.440  -5.675
   75   2HH1  ARG   7          HH12      ARG   7  -6.899   3.101  -5.926
   76   1HH2  ARG   7          HH21      ARG   7  -5.174   4.270  -3.120
   77   2HH2  ARG   7          HH22      ARG   7  -6.159   4.708  -4.476
   78    H    LEU   8           HN       LEU   8  -0.016  -1.553  -4.207
   79    HA   LEU   8           HA       LEU   8  -0.211  -3.413  -2.100
   80   1HB   LEU   8          HB2       LEU   8   2.223  -2.632  -3.711
   81   2HB   LEU   8          HB1       LEU   8   2.069  -4.078  -2.731
   82    HG   LEU   8           HG       LEU   8   0.114  -3.606  -4.943
   83   1HD1  LEU   8          HD11      LEU   8   2.520  -5.172  -5.608
   84   2HD1  LEU   8          HD12      LEU   8   2.728  -3.422  -5.543
   85   3HD1  LEU   8          HD13      LEU   8   1.524  -4.128  -6.621
   86   1HD2  LEU   8          HD21      LEU   8  -0.265  -5.865  -4.807
   87   2HD2  LEU   8          HD22      LEU   8   0.142  -5.501  -3.130
   88   3HD2  LEU   8          HD23      LEU   8   1.352  -6.212  -4.197
   89    H    GLU   9           HN       GLU   9   1.541  -0.378  -2.454
   90    HA   GLU   9           HA       GLU   9   3.053  -0.594  -0.069
   91   1HB   GLU   9          HB2       GLU   9   3.040   1.145  -2.165
   92   2HB   GLU   9          HB1       GLU   9   2.252   2.117  -0.930
   93   1HG   GLU   9          HG2       GLU   9   4.277   2.661  -0.220
   94   2HG   GLU   9          HG1       GLU   9   4.422   1.009   0.378
   95    H    LYS  10           HN       LYS  10  -0.198   0.436  -0.792
   96    HA   LYS  10           HA       LYS  10  -0.718   1.739   1.677
   97   1HB   LYS  10          HB2       LYS  10  -2.064   1.499  -0.692
   98   2HB   LYS  10          HB1       LYS  10  -2.998   0.431   0.346
   99   1HG   LYS  10          HG2       LYS  10  -2.781   2.568   1.961
  100   2HG   LYS  10          HG1       LYS  10  -2.735   3.363   0.386
  101   1HD   LYS  10          HD2       LYS  10  -4.874   2.746  -0.140
  102   2HD   LYS  10          HD1       LYS  10  -4.807   1.280   0.840
  103   1HE   LYS  10          HE2       LYS  10  -4.628   3.835   2.306
  104   2HE   LYS  10          HE1       LYS  10  -6.179   3.489   1.541
  105   1HZ   LYS  10          HZ1       LYS  10  -5.812   1.180   2.681
  106   2HZ   LYS  10          HZ2       LYS  10  -6.459   2.478   3.550
  107   3HZ   LYS  10          HZ3       LYS  10  -4.825   2.077   3.723
  108    H    LEU  11           HN       LEU  11  -1.178  -1.563   0.487
  109    HA   LEU  11           HA       LEU  11  -2.491  -2.556   2.780
  110   1HB   LEU  11          HB2       LEU  11  -2.440  -3.718   0.596
  111   2HB   LEU  11          HB1       LEU  11  -0.730  -4.037   0.821
  112    HG   LEU  11           HG       LEU  11  -1.649  -5.166   3.067
  113   1HD1  LEU  11          HD11      LEU  11  -3.908  -5.024   3.013
  114   2HD1  LEU  11          HD12      LEU  11  -3.731  -6.487   2.045
  115   3HD1  LEU  11          HD13      LEU  11  -3.973  -4.929   1.254
  116   1HD2  LEU  11          HD21      LEU  11  -1.270  -7.225   2.049
  117   2HD2  LEU  11          HD22      LEU  11  -0.326  -6.103   1.069
  118   3HD2  LEU  11          HD23      LEU  11  -1.889  -6.679   0.491
  119    H    PHE  12           HN       PHE  12   0.885  -2.092   1.961
  120    HA   PHE  12           HA       PHE  12   1.972  -3.605   4.097
  121   1HB   PHE  12          HB2       PHE  12   3.187  -2.742   2.016
  122   2HB   PHE  12          HB1       PHE  12   3.274  -1.189   2.840
  123    HD1  PHE  12           HD1      PHE  12   4.118  -4.783   3.327
  124    HD2  PHE  12           HD2      PHE  12   5.071  -0.730   4.211
  125    HE1  PHE  12           HE1      PHE  12   6.157  -5.520   4.490
  126    HE2  PHE  12           HE2      PHE  12   7.111  -1.460   5.376
  127    HZ   PHE  12           HZ       PHE  12   7.657  -3.858   5.516
  128    H    SER  13           HN       SER  13   0.704  -0.370   3.808
  129    HA   SER  13           HA       SER  13   1.760   0.615   6.255
  130   1HB   SER  13          HB2       SER  13   0.923   2.049   4.360
  131   2HB   SER  13          HB1       SER  13  -0.716   1.587   4.822
  132    HG   SER  13           HG       SER  13  -0.261   2.489   6.903
  133    H    LYS  14           HN       LYS  14  -0.815  -1.454   5.445
  134    HA   LYS  14           HA       LYS  14  -2.339  -1.004   7.842
  135   1HB   LYS  14          HB2       LYS  14  -2.560  -2.769   5.468
  136   2HB   LYS  14          HB1       LYS  14  -3.326  -3.332   6.948
  137   1HG   LYS  14          HG2       LYS  14  -4.951  -1.775   6.860
  138   2HG   LYS  14          HG1       LYS  14  -3.881  -0.537   6.200
  139   1HD   LYS  14          HD2       LYS  14  -4.175  -1.263   4.019
  140   2HD   LYS  14          HD1       LYS  14  -4.670  -2.881   4.519
  141   1HE   LYS  14          HE2       LYS  14  -6.346  -0.501   5.213
  142   2HE   LYS  14          HE1       LYS  14  -6.447  -1.223   3.608
  143   1HZ   LYS  14          HZ1       LYS  14  -7.017  -2.533   6.207
  144   2HZ   LYS  14          HZ2       LYS  14  -6.896  -3.377   4.746
  145   3HZ   LYS  14          HZ3       LYS  14  -8.108  -2.216   4.952
  146    H    ILE  15           HN       ILE  15   0.323  -2.906   6.898
  147    HA   ILE  15           HA       ILE  15   0.027  -4.857   9.019
  148    HB   ILE  15           HB       ILE  15   2.428  -4.410   7.247
  149   1HG1  ILE  15          HG12      ILE  15   0.269  -6.461   6.789
  150   2HG1  ILE  15          HG11      ILE  15   0.187  -4.858   6.066
  151   1HG2  ILE  15          HG21      ILE  15   3.049  -6.645   7.834
  152   2HG2  ILE  15          HG22      ILE  15   1.537  -6.889   8.708
  153   3HG2  ILE  15          HG23      ILE  15   2.737  -5.752   9.323
  154   1HD1  ILE  15          HD11      ILE  15   2.466  -5.339   5.083
  155   2HD1  ILE  15          HD12      ILE  15   1.112  -6.263   4.432
  156   3HD1  ILE  15          HD13      ILE  15   2.217  -7.011   5.586
  157    H    GLN  16           HN       GLN  16   1.857  -1.939   8.353
  158    HA   GLN  16           HA       GLN  16   2.992  -2.090  11.070
  159   1HB   GLN  16          HB2       GLN  16   4.404  -1.965   8.715
  160   2HB   GLN  16          HB1       GLN  16   4.335  -0.275   9.196
  161   1HG   GLN  16          HG2       GLN  16   5.489  -0.670  11.183
  162   2HG   GLN  16          HG1       GLN  16   5.189  -2.406  11.118
  163   1HE2  GLN  16          HE21      GLN  16   6.409  -3.687   9.716
  164   2HE2  GLN  16          HE22      GLN  16   7.907  -3.139   9.052
  165    H    ASN  17           HN       ASN  17   0.411  -0.989  10.240
  166    HA   ASN  17           HA       ASN  17   0.467   1.810  10.049
  167   1HB   ASN  17          HB2       ASN  17  -1.492  -0.078   9.950
  168   2HB   ASN  17          HB1       ASN  17  -1.810   0.648  11.522
  169   1HD2  ASN  17          HD21      ASN  17  -3.808   1.067  10.082
  170   2HD2  ASN  17          HD22      ASN  17  -3.840   2.610   9.306
  171    H    ASP  18           HN       ASP  18  -0.921   3.003  11.953
  172    HA   ASP  18           HA       ASP  18   0.873   2.884  14.255
  173   1HB   ASP  18          HB2       ASP  18   0.460   5.055  13.090
  174   2HB   ASP  18          HB1       ASP  18  -1.224   4.960  13.595
  175    H    LYS  19           HN       LYS  19  -1.348   0.939  13.775
  176    HA   LYS  19           HA       LYS  19  -3.037   1.521  16.107
  177   1HB   LYS  19          HB2       LYS  19  -3.524   0.273  13.541
  178   2HB   LYS  19          HB1       LYS  19  -3.998  -0.795  14.855
  179   1HG   LYS  19          HG2       LYS  19  -4.870   1.996  15.136
  180   2HG   LYS  19          HG1       LYS  19  -5.583   1.109  13.788
  181   1HD   LYS  19          HD2       LYS  19  -6.483  -0.539  15.220
  182   2HD   LYS  19          HD1       LYS  19  -5.497  -0.002  16.581
  183   1HE   LYS  19          HE2       LYS  19  -7.596   1.723  15.286
  184   2HE   LYS  19          HE1       LYS  19  -7.933   0.660  16.651
  185   1HZ   LYS  19          HZ1       LYS  19  -5.872   1.942  17.637
  186   2HZ   LYS  19          HZ2       LYS  19  -7.441   2.563  17.756
  187   3HZ   LYS  19          HZ3       LYS  19  -6.392   3.141  16.562
  188   1HN   NH2  20          NH1       NH2  20  -0.291   0.598  16.288
  189   2HN   NH2  20          NH2       NH2  20  -0.332  -0.922  17.109
  Start of MODEL    7
    1   1H    ALA   1          HT1       ALA   1  -2.802   1.268 -16.316
    2   2H    ALA   1          HT2       ALA   1  -2.351  -0.250 -16.978
    3   3H    ALA   1          HT3       ALA   1  -2.181   1.180 -17.912
    4    HA   ALA   1           HA       ALA   1  -0.076   0.796 -17.241
    5   1HB   ALA   1          HB1       ALA   1   0.285   2.405 -15.273
    6   2HB   ALA   1          HB2       ALA   1  -1.459   2.659 -15.343
    7   3HB   ALA   1          HB3       ALA   1  -0.455   3.042 -16.742
    8    H    LYS   2           HN       LYS   2   1.421  -0.221 -15.947
    9    HA   LYS   2           HA       LYS   2   0.301  -2.024 -13.940
   10   1HB   LYS   2          HB2       LYS   2   2.001  -2.551 -15.955
   11   2HB   LYS   2          HB1       LYS   2   3.167  -2.188 -14.691
   12   1HG   LYS   2          HG2       LYS   2   2.788  -4.544 -14.724
   13   2HG   LYS   2          HG1       LYS   2   2.064  -3.884 -13.256
   14   1HD   LYS   2          HD2       LYS   2   0.204  -3.913 -15.490
   15   2HD   LYS   2          HD1       LYS   2   0.822  -5.522 -15.112
   16   1HE   LYS   2          HE2       LYS   2  -0.234  -3.683 -12.985
   17   2HE   LYS   2          HE1       LYS   2  -1.295  -4.751 -13.903
   18   1HZ   LYS   2          HZ1       LYS   2   0.640  -5.389 -11.836
   19   2HZ   LYS   2          HZ2       LYS   2   0.595  -6.461 -13.144
   20   3HZ   LYS   2          HZ3       LYS   2  -0.806  -6.166 -12.244
   21    H    LYS   3           HN       LYS   3   0.337   0.524 -13.025
   22    HA   LYS   3           HA       LYS   3   2.627   0.559 -11.156
   23   1HB   LYS   3          HB2       LYS   3   2.273   3.009 -10.990
   24   2HB   LYS   3          HB1       LYS   3   2.719   2.496 -12.612
   25   1HG   LYS   3          HG2       LYS   3   0.224   2.508 -13.123
   26   2HG   LYS   3          HG1       LYS   3   0.041   3.396 -11.609
   27   1HD   LYS   3          HD2       LYS   3   2.040   4.799 -12.766
   28   2HD   LYS   3          HD1       LYS   3   1.157   4.261 -14.196
   29   1HE   LYS   3          HE2       LYS   3   0.391   6.456 -13.361
   30   2HE   LYS   3          HE1       LYS   3  -0.882   5.237 -13.359
   31   1HZ   LYS   3          HZ1       LYS   3  -0.443   6.780 -11.293
   32   2HZ   LYS   3          HZ2       LYS   3   0.680   5.575 -10.911
   33   3HZ   LYS   3          HZ3       LYS   3  -0.952   5.177 -11.104
   34    H    VAL   4           HN       VAL   4   0.353  -0.974 -10.707
   35    HA   VAL   4           HA       VAL   4  -1.421   0.375  -8.906
   36    HB   VAL   4           HB       VAL   4  -2.127  -1.719  -9.974
   37   1HG1  VAL   4          HG11      VAL   4  -0.972  -3.797  -8.682
   38   2HG1  VAL   4          HG12      VAL   4   0.393  -2.689  -8.813
   39   3HG1  VAL   4          HG13      VAL   4  -0.465  -3.207 -10.264
   40   1HG2  VAL   4          HG21      VAL   4  -3.029  -1.053  -7.746
   41   2HG2  VAL   4          HG22      VAL   4  -1.853  -2.137  -7.001
   42   3HG2  VAL   4          HG23      VAL   4  -3.101  -2.787  -8.064
   43    H    PHE   5           HN       PHE   5   1.739  -0.427  -8.868
   44    HA   PHE   5           HA       PHE   5   2.490  -1.426  -6.483
   45   1HB   PHE   5          HB2       PHE   5   3.982  -0.817  -8.357
   46   2HB   PHE   5          HB1       PHE   5   3.751   0.880  -7.968
   47    HD1  PHE   5           HD1      PHE   5   4.998   1.928  -6.256
   48    HD2  PHE   5           HD2      PHE   5   5.182  -2.295  -6.742
   49    HE1  PHE   5           HE1      PHE   5   6.906   1.837  -4.705
   50    HE2  PHE   5           HE2      PHE   5   7.089  -2.395  -5.190
   51    HZ   PHE   5           HZ       PHE   5   7.953  -0.327  -4.169
   52    H    LYS   6           HN       LYS   6   1.101   1.630  -7.090
   53    HA   LYS   6           HA       LYS   6   1.867   2.909  -4.668
   54   1HB   LYS   6          HB2       LYS   6   0.756   3.805  -6.963
   55   2HB   LYS   6          HB1       LYS   6  -0.681   3.710  -5.955
   56   1HG   LYS   6          HG2       LYS   6   1.740   5.067  -4.879
   57   2HG   LYS   6          HG1       LYS   6   0.744   5.902  -6.073
   58   1HD   LYS   6          HD2       LYS   6  -1.033   6.100  -4.656
   59   2HD   LYS   6          HD1       LYS   6  -0.642   4.616  -3.785
   60   1HE   LYS   6          HE2       LYS   6   1.465   6.038  -3.050
   61   2HE   LYS   6          HE1       LYS   6   0.376   7.382  -3.393
   62   1HZ   LYS   6          HZ1       LYS   6  -1.223   5.869  -1.938
   63   2HZ   LYS   6          HZ2       LYS   6  -0.190   7.019  -1.251
   64   3HZ   LYS   6          HZ3       LYS   6   0.256   5.388  -1.272
   65    H    ARG   7           HN       ARG   7  -0.973   1.076  -5.704
   66    HA   ARG   7           HA       ARG   7  -2.466   1.417  -3.334
   67   1HB   ARG   7          HB2       ARG   7  -2.536  -0.469  -5.639
   68   2HB   ARG   7          HB1       ARG   7  -3.397  -0.935  -4.177
   69   1HG   ARG   7          HG2       ARG   7  -3.825   1.587  -5.765
   70   2HG   ARG   7          HG1       ARG   7  -4.884   0.175  -5.732
   71   1HD   ARG   7          HD2       ARG   7  -4.891   0.614  -3.154
   72   2HD   ARG   7          HD1       ARG   7  -4.399   2.239  -3.629
   73    HE   ARG   7           HE       ARG   7  -6.558   2.622  -4.224
   74   1HH1  ARG   7          HH11      ARG   7  -5.992  -0.817  -4.398
   75   2HH1  ARG   7          HH12      ARG   7  -7.628  -1.191  -4.822
   76   1HH2  ARG   7          HH21      ARG   7  -8.711   2.131  -4.782
   77   2HH2  ARG   7          HH22      ARG   7  -9.172   0.482  -5.040
   78    H    LEU   8           HN       LEU   8   0.082  -0.783  -4.283
   79    HA   LEU   8           HA       LEU   8  -0.211  -2.646  -2.180
   80   1HB   LEU   8          HB2       LEU   8   1.959  -1.913  -4.088
   81   2HB   LEU   8          HB1       LEU   8   2.384  -2.880  -2.688
   82    HG   LEU   8           HG       LEU   8   0.155  -3.698  -4.531
   83   1HD1  LEU   8          HD11      LEU   8   2.840  -4.909  -4.840
   84   2HD1  LEU   8          HD12      LEU   8   2.578  -3.320  -5.558
   85   3HD1  LEU   8          HD13      LEU   8   1.554  -4.678  -6.024
   86   1HD2  LEU   8          HD21      LEU   8   1.976  -5.315  -2.754
   87   2HD2  LEU   8          HD22      LEU   8   0.546  -5.880  -3.619
   88   3HD2  LEU   8          HD23      LEU   8   0.376  -4.742  -2.283
   89    H    GLU   9           HN       GLU   9   1.470   0.429  -2.469
   90    HA   GLU   9           HA       GLU   9   2.927   0.233  -0.044
   91   1HB   GLU   9          HB2       GLU   9   2.105   2.531  -1.802
   92   2HB   GLU   9          HB1       GLU   9   2.916   2.815  -0.268
   93   1HG   GLU   9          HG2       GLU   9   4.850   1.622  -0.986
   94   2HG   GLU   9          HG1       GLU   9   4.031   1.065  -2.444
   95    H    LYS  10           HN       LYS  10  -0.323   1.220  -0.853
   96    HA   LYS  10           HA       LYS  10  -0.913   2.474   1.635
   97   1HB   LYS  10          HB2       LYS  10  -2.192   2.245  -0.804
   98   2HB   LYS  10          HB1       LYS  10  -3.191   1.258   0.254
   99   1HG   LYS  10          HG2       LYS  10  -4.070   3.042   1.243
  100   2HG   LYS  10          HG1       LYS  10  -2.488   3.786   1.481
  101   1HD   LYS  10          HD2       LYS  10  -2.667   4.253  -1.094
  102   2HD   LYS  10          HD1       LYS  10  -4.396   4.060  -0.797
  103   1HE   LYS  10          HE2       LYS  10  -4.343   5.814   0.866
  104   2HE   LYS  10          HE1       LYS  10  -2.593   5.957   0.702
  105   1HZ   LYS  10          HZ1       LYS  10  -2.779   7.128  -1.195
  106   2HZ   LYS  10          HZ2       LYS  10  -4.317   7.501  -0.599
  107   3HZ   LYS  10          HZ3       LYS  10  -4.130   6.270  -1.743
  108    H    LEU  11           HN       LEU  11  -1.265  -0.792   0.353
  109    HA   LEU  11           HA       LEU  11  -2.686  -1.839   2.574
  110   1HB   LEU  11          HB2       LEU  11  -1.229  -2.960   0.238
  111   2HB   LEU  11          HB1       LEU  11  -1.487  -4.030   1.603
  112    HG   LEU  11           HG       LEU  11  -3.219  -4.219  -0.172
  113   1HD1  LEU  11          HD11      LEU  11  -3.561  -4.667   2.330
  114   2HD1  LEU  11          HD12      LEU  11  -4.992  -4.503   1.312
  115   3HD1  LEU  11          HD13      LEU  11  -4.478  -3.160   2.333
  116   1HD2  LEU  11          HD21      LEU  11  -3.117  -1.522  -0.310
  117   2HD2  LEU  11          HD22      LEU  11  -4.548  -1.743   0.697
  118   3HD2  LEU  11          HD23      LEU  11  -4.468  -2.492  -0.898
  119    H    PHE  12           HN       PHE  12   0.701  -1.337   1.864
  120    HA   PHE  12           HA       PHE  12   1.691  -2.948   4.001
  121   1HB   PHE  12          HB2       PHE  12   3.034  -2.244   1.994
  122   2HB   PHE  12          HB1       PHE  12   3.067  -0.613   2.655
  123    HD1  PHE  12           HD1      PHE  12   3.576  -4.001   4.136
  124    HD2  PHE  12           HD2      PHE  12   5.150  -0.107   3.458
  125    HE1  PHE  12           HE1      PHE  12   5.569  -4.582   5.456
  126    HE2  PHE  12           HE2      PHE  12   7.148  -0.680   4.775
  127    HZ   PHE  12           HZ       PHE  12   7.359  -2.921   5.776
  128    H    SER  13           HN       SER  13   0.445   0.273   3.719
  129    HA   SER  13           HA       SER  13   1.546   1.240   6.167
  130   1HB   SER  13          HB2       SER  13  -0.926   2.358   4.871
  131   2HB   SER  13          HB1       SER  13   0.316   3.210   5.790
  132    HG   SER  13           HG       SER  13   1.763   2.674   4.020
  133    H    LYS  14           HN       LYS  14  -1.125  -0.708   5.316
  134    HA   LYS  14           HA       LYS  14  -2.597  -0.205   7.740
  135   1HB   LYS  14          HB2       LYS  14  -4.244  -1.632   6.917
  136   2HB   LYS  14          HB1       LYS  14  -3.566  -0.929   5.457
  137   1HG   LYS  14          HG2       LYS  14  -3.284  -2.985   4.686
  138   2HG   LYS  14          HG1       LYS  14  -2.053  -3.228   5.926
  139   1HD   LYS  14          HD2       LYS  14  -3.656  -5.005   6.093
  140   2HD   LYS  14          HD1       LYS  14  -3.858  -3.942   7.487
  141   1HE   LYS  14          HE2       LYS  14  -6.037  -4.429   6.721
  142   2HE   LYS  14          HE1       LYS  14  -5.688  -2.788   6.180
  143   1HZ   LYS  14          HZ1       LYS  14  -4.837  -4.260   4.099
  144   2HZ   LYS  14          HZ2       LYS  14  -6.370  -3.554   4.208
  145   3HZ   LYS  14          HZ3       LYS  14  -6.156  -5.177   4.631
  146    H    ILE  15           HN       ILE  15  -0.027  -2.196   6.769
  147    HA   ILE  15           HA       ILE  15  -0.426  -4.198   8.826
  148    HB   ILE  15           HB       ILE  15   2.021  -3.780   7.110
  149   1HG1  ILE  15          HG12      ILE  15  -0.016  -4.063   5.727
  150   2HG1  ILE  15          HG11      ILE  15   1.091  -5.424   5.576
  151   1HG2  ILE  15          HG21      ILE  15   2.295  -6.239   7.551
  152   2HG2  ILE  15          HG22      ILE  15   1.008  -6.092   8.748
  153   3HG2  ILE  15          HG23      ILE  15   2.510  -5.191   8.954
  154   1HD1  ILE  15          HD11      ILE  15  -0.719  -6.677   5.906
  155   2HD1  ILE  15          HD12      ILE  15  -1.645  -5.330   6.567
  156   3HD1  ILE  15          HD13      ILE  15  -0.543  -6.236   7.604
  157    H    GLN  16           HN       GLN  16   1.342  -1.232   8.371
  158    HA   GLN  16           HA       GLN  16   2.848  -1.675  10.846
  159   1HB   GLN  16          HB2       GLN  16   4.173   0.264  10.192
  160   2HB   GLN  16          HB1       GLN  16   4.121  -0.917   8.891
  161   1HG   GLN  16          HG2       GLN  16   2.308   0.435   7.839
  162   2HG   GLN  16          HG1       GLN  16   2.587   1.662   9.075
  163   1HE2  GLN  16          HE21      GLN  16   5.182   1.924   9.301
  164   2HE2  GLN  16          HE22      GLN  16   5.931   2.351   7.804
  165    H    ASN  17           HN       ASN  17  -0.054  -0.342   9.906
  166    HA   ASN  17           HA       ASN  17   0.030   1.849  11.835
  167   1HB   ASN  17          HB2       ASN  17  -0.982   2.220   9.594
  168   2HB   ASN  17          HB1       ASN  17  -2.213   1.022   9.981
  169   1HD2  ASN  17          HD21      ASN  17  -3.987   1.667  11.002
  170   2HD2  ASN  17          HD22      ASN  17  -4.225   3.228  11.703
  171    H    ASP  18           HN       ASP  18   0.079  -1.008  12.638
  172    HA   ASP  18           HA       ASP  18  -2.510  -1.328  13.952
  173   1HB   ASP  18          HB2       ASP  18  -1.428  -3.265  12.791
  174   2HB   ASP  18          HB1       ASP  18  -0.135  -3.200  13.985
  175    H    LYS  19           HN       LYS  19   0.834  -0.602  14.643
  176    HA   LYS  19           HA       LYS  19   0.456  -0.786  17.512
  177   1HB   LYS  19          HB2       LYS  19   2.622  -1.271  16.093
  178   2HB   LYS  19          HB1       LYS  19   2.867   0.463  16.256
  179   1HG   LYS  19          HG2       LYS  19   3.406   0.318  18.433
  180   2HG   LYS  19          HG1       LYS  19   2.226  -0.956  18.750
  181   1HD   LYS  19          HD2       LYS  19   3.999  -2.265  17.163
  182   2HD   LYS  19          HD1       LYS  19   5.066  -1.146  18.013
  183   1HE   LYS  19          HE2       LYS  19   4.951  -2.355  19.875
  184   2HE   LYS  19          HE1       LYS  19   3.188  -2.327  19.845
  185   1HZ   LYS  19          HZ1       LYS  19   4.560  -4.140  18.003
  186   2HZ   LYS  19          HZ2       LYS  19   3.082  -4.329  18.802
  187   3HZ   LYS  19          HZ3       LYS  19   4.532  -4.559  19.642
  188   1HN   NH2  20          NH1       NH2  20   1.090   1.740  15.117
  189   2HN   NH2  20          NH2       NH2  20   0.567   3.061  16.100
  Start of MODEL    8
    1   1H    ALA   1          HT1       ALA   1  -2.260   1.818 -16.457
    2   2H    ALA   1          HT2       ALA   1  -3.819   1.241 -16.883
    3   3H    ALA   1          HT3       ALA   1  -2.432   0.273 -17.178
    4    HA   ALA   1           HA       ALA   1  -3.146   1.160 -14.485
    5   1HB   ALA   1          HB1       ALA   1  -4.061  -1.351 -14.486
    6   2HB   ALA   1          HB2       ALA   1  -4.441  -0.911 -16.151
    7   3HB   ALA   1          HB3       ALA   1  -5.088   0.044 -14.817
    8    H    LYS   2           HN       LYS   2  -0.615   0.815 -15.896
    9    HA   LYS   2           HA       LYS   2   0.427  -1.667 -14.745
   10   1HB   LYS   2          HB2       LYS   2   2.426  -1.241 -16.083
   11   2HB   LYS   2          HB1       LYS   2   0.983  -1.199 -17.087
   12   1HG   LYS   2          HG2       LYS   2   1.757   1.410 -16.022
   13   2HG   LYS   2          HG1       LYS   2   2.963   0.675 -17.080
   14   1HD   LYS   2          HD2       LYS   2   1.287   0.394 -18.824
   15   2HD   LYS   2          HD1       LYS   2   0.049   1.067 -17.762
   16   1HE   LYS   2          HE2       LYS   2   1.922   3.026 -17.682
   17   2HE   LYS   2          HE1       LYS   2   2.149   2.414 -19.320
   18   1HZ   LYS   2          HZ1       LYS   2   0.355   4.257 -18.699
   19   2HZ   LYS   2          HZ2       LYS   2  -0.598   2.877 -18.483
   20   3HZ   LYS   2          HZ3       LYS   2   0.143   3.167 -19.976
   21    H    LYS   3           HN       LYS   3  -0.269   0.080 -12.804
   22    HA   LYS   3           HA       LYS   3   2.245   0.545 -11.488
   23   1HB   LYS   3          HB2       LYS   3   1.894   2.612 -12.919
   24   2HB   LYS   3          HB1       LYS   3   0.478   2.958 -11.937
   25   1HG   LYS   3          HG2       LYS   3   2.423   2.560 -10.050
   26   2HG   LYS   3          HG1       LYS   3   3.305   3.353 -11.356
   27   1HD   LYS   3          HD2       LYS   3   0.683   4.405 -10.330
   28   2HD   LYS   3          HD1       LYS   3   2.223   4.851  -9.593
   29   1HE   LYS   3          HE2       LYS   3   2.737   5.264 -12.236
   30   2HE   LYS   3          HE1       LYS   3   1.030   5.693 -12.137
   31   1HZ   LYS   3          HZ1       LYS   3   1.951   7.675 -11.589
   32   2HZ   LYS   3          HZ2       LYS   3   3.346   6.991 -10.920
   33   3HZ   LYS   3          HZ3       LYS   3   1.903   6.999 -10.038
   34    H    VAL   4           HN       VAL   4   0.082  -1.111 -10.969
   35    HA   VAL   4           HA       VAL   4  -1.597  -0.015  -8.934
   36    HB   VAL   4           HB       VAL   4  -0.790  -2.911  -9.285
   37   1HG1  VAL   4          HG11      VAL   4  -3.046  -3.286  -8.214
   38   2HG1  VAL   4          HG12      VAL   4  -3.051  -1.566  -7.823
   39   3HG1  VAL   4          HG13      VAL   4  -1.798  -2.617  -7.162
   40   1HG2  VAL   4          HG21      VAL   4  -1.889  -1.608 -11.277
   41   2HG2  VAL   4          HG22      VAL   4  -3.360  -1.813 -10.326
   42   3HG2  VAL   4          HG23      VAL   4  -2.444  -3.226 -10.849
   43    H    PHE   5           HN       PHE   5   1.605  -0.658  -9.207
   44    HA   PHE   5           HA       PHE   5   2.564  -1.679  -6.889
   45   1HB   PHE   5          HB2       PHE   5   3.854  -1.005  -8.922
   46   2HB   PHE   5          HB1       PHE   5   3.697   0.668  -8.412
   47    HD1  PHE   5           HD1      PHE   5   5.391   1.608  -7.164
   48    HD2  PHE   5           HD2      PHE   5   4.903  -2.619  -7.125
   49    HE1  PHE   5           HE1      PHE   5   7.435   1.389  -5.811
   50    HE2  PHE   5           HE2      PHE   5   6.945  -2.846  -5.771
   51    HZ   PHE   5           HZ       PHE   5   8.214  -0.840  -5.112
   52    H    LYS   6           HN       LYS   6   1.065   1.338  -7.395
   53    HA   LYS   6           HA       LYS   6   2.001   2.682  -5.077
   54   1HB   LYS   6          HB2       LYS   6   0.772   3.609  -7.203
   55   2HB   LYS   6          HB1       LYS   6  -0.684   3.253  -6.284
   56   1HG   LYS   6          HG2       LYS   6   0.003   4.736  -4.522
   57   2HG   LYS   6          HG1       LYS   6   1.560   5.005  -5.306
   58   1HD   LYS   6          HD2       LYS   6  -0.143   5.674  -7.306
   59   2HD   LYS   6          HD1       LYS   6  -1.083   6.158  -5.893
   60   1HE   LYS   6          HE2       LYS   6   1.607   7.012  -5.520
   61   2HE   LYS   6          HE1       LYS   6   1.083   7.512  -7.128
   62   1HZ   LYS   6          HZ1       LYS   6  -0.473   8.033  -4.656
   63   2HZ   LYS   6          HZ2       LYS   6  -0.761   8.662  -6.199
   64   3HZ   LYS   6          HZ3       LYS   6   0.611   9.142  -5.334
   65    H    ARG   7           HN       ARG   7  -0.770   0.620  -5.782
   66    HA   ARG   7           HA       ARG   7  -2.128   0.971  -3.341
   67   1HB   ARG   7          HB2       ARG   7  -2.125  -1.115  -5.478
   68   2HB   ARG   7          HB1       ARG   7  -2.889  -1.497  -3.940
   69   1HG   ARG   7          HG2       ARG   7  -4.223   0.634  -4.227
   70   2HG   ARG   7          HG1       ARG   7  -3.615   0.674  -5.883
   71   1HD   ARG   7          HD2       ARG   7  -4.832  -1.154  -6.520
   72   2HD   ARG   7          HD1       ARG   7  -4.833  -1.852  -4.901
   73    HE   ARG   7           HE       ARG   7  -6.768  -0.712  -4.444
   74   1HH1  ARG   7          HH11      ARG   7  -5.330   0.607  -7.338
   75   2HH1  ARG   7          HH12      ARG   7  -6.698   1.599  -7.715
   76   1HH2  ARG   7          HH21      ARG   7  -8.567   0.593  -4.939
   77   2HH2  ARG   7          HH22      ARG   7  -8.535   1.592  -6.353
   78    H    LEU   8           HN       LEU   8   0.556  -1.061  -4.309
   79    HA   LEU   8           HA       LEU   8   0.585  -2.783  -2.081
   80   1HB   LEU   8          HB2       LEU   8   2.034  -2.553  -4.397
   81   2HB   LEU   8          HB1       LEU   8   3.209  -2.071  -3.189
   82    HG   LEU   8           HG       LEU   8   2.306  -4.309  -2.020
   83   1HD1  LEU   8          HD11      LEU   8   0.723  -4.929  -3.686
   84   2HD1  LEU   8          HD12      LEU   8   2.092  -6.032  -3.822
   85   3HD1  LEU   8          HD13      LEU   8   1.906  -4.711  -4.976
   86   1HD2  LEU   8          HD21      LEU   8   4.512  -3.703  -3.889
   87   2HD2  LEU   8          HD22      LEU   8   4.204  -5.408  -3.560
   88   3HD2  LEU   8          HD23      LEU   8   4.558  -4.303  -2.232
   89    H    GLU   9           HN       GLU   9   1.923   0.423  -2.637
   90    HA   GLU   9           HA       GLU   9   3.501   0.536  -0.288
   91   1HB   GLU   9          HB2       GLU   9   2.226   2.836  -1.784
   92   2HB   GLU   9          HB1       GLU   9   3.585   2.939  -0.673
   93   1HG   GLU   9          HG2       GLU   9   4.999   1.748  -2.174
   94   2HG   GLU   9          HG1       GLU   9   3.642   1.363  -3.232
   95    H    LYS  10           HN       LYS  10   0.132   1.182  -0.980
   96    HA   LYS  10           HA       LYS  10  -0.472   2.495   1.462
   97   1HB   LYS  10          HB2       LYS  10  -2.026   1.264  -0.753
   98   2HB   LYS  10          HB1       LYS  10  -2.851   1.441   0.790
   99   1HG   LYS  10          HG2       LYS  10  -2.293   3.849   0.766
  100   2HG   LYS  10          HG1       LYS  10  -1.586   3.636  -0.836
  101   1HD   LYS  10          HD2       LYS  10  -3.714   2.970  -1.743
  102   2HD   LYS  10          HD1       LYS  10  -4.445   2.979  -0.137
  103   1HE   LYS  10          HE2       LYS  10  -3.194   5.441  -1.311
  104   2HE   LYS  10          HE1       LYS  10  -4.863   4.997  -1.667
  105   1HZ   LYS  10          HZ1       LYS  10  -3.699   6.020   0.789
  106   2HZ   LYS  10          HZ2       LYS  10  -4.857   4.803   0.983
  107   3HZ   LYS  10          HZ3       LYS  10  -5.256   6.225   0.159
  108    H    LEU  11           HN       LEU  11  -0.475  -0.866   0.408
  109    HA   LEU  11           HA       LEU  11  -1.696  -1.964   2.699
  110   1HB   LEU  11          HB2       LEU  11  -0.855  -2.959   0.313
  111   2HB   LEU  11          HB1       LEU  11   0.394  -3.576   1.378
  112    HG   LEU  11           HG       LEU  11  -2.131  -4.071   2.608
  113   1HD1  LEU  11          HD11      LEU  11  -2.736  -5.783   0.661
  114   2HD1  LEU  11          HD12      LEU  11  -2.063  -4.482  -0.322
  115   3HD1  LEU  11          HD13      LEU  11  -3.426  -4.163   0.751
  116   1HD2  LEU  11          HD21      LEU  11  -0.278  -5.428   3.117
  117   2HD2  LEU  11          HD22      LEU  11   0.042  -5.772   1.417
  118   3HD2  LEU  11          HD23      LEU  11  -1.377  -6.462   2.205
  119    H    PHE  12           HN       PHE  12   1.580  -0.968   1.980
  120    HA   PHE  12           HA       PHE  12   2.863  -2.244   4.148
  121   1HB   PHE  12          HB2       PHE  12   4.025  -1.222   2.174
  122   2HB   PHE  12          HB1       PHE  12   3.651   0.366   2.834
  123    HD1  PHE  12           HD1      PHE  12   4.605   1.003   5.070
  124    HD2  PHE  12           HD2      PHE  12   5.883  -2.439   2.918
  125    HE1  PHE  12           HE1      PHE  12   6.664   0.931   6.416
  126    HE2  PHE  12           HE2      PHE  12   7.944  -2.518   4.261
  127    HZ   PHE  12           HZ       PHE  12   8.336  -0.832   6.012
  128    H    SER  13           HN       SER  13   1.162   0.818   3.821
  129    HA   SER  13           HA       SER  13   1.896   1.834   6.366
  130   1HB   SER  13          HB2       SER  13  -0.038   2.566   4.246
  131   2HB   SER  13          HB1       SER  13  -0.436   3.114   5.875
  132    HG   SER  13           HG       SER  13   1.677   4.053   5.951
  133    H    LYS  14           HN       LYS  14  -0.274  -0.561   5.351
  134    HA   LYS  14           HA       LYS  14  -1.996  -0.394   7.660
  135   1HB   LYS  14          HB2       LYS  14  -1.796  -2.589   5.595
  136   2HB   LYS  14          HB1       LYS  14  -3.097  -2.366   6.756
  137   1HG   LYS  14          HG2       LYS  14  -3.729  -0.282   5.679
  138   2HG   LYS  14          HG1       LYS  14  -2.394  -0.454   4.538
  139   1HD   LYS  14          HD2       LYS  14  -3.954  -1.420   3.232
  140   2HD   LYS  14          HD1       LYS  14  -3.641  -2.841   4.230
  141   1HE   LYS  14          HE2       LYS  14  -5.990  -2.578   4.172
  142   2HE   LYS  14          HE1       LYS  14  -5.470  -2.018   5.761
  143   1HZ   LYS  14          HZ1       LYS  14  -7.014  -0.450   4.947
  144   2HZ   LYS  14          HZ2       LYS  14  -6.267  -0.367   3.432
  145   3HZ   LYS  14          HZ3       LYS  14  -5.494   0.277   4.792
  146    H    ILE  15           HN       ILE  15   0.980  -1.796   6.857
  147    HA   ILE  15           HA       ILE  15   0.845  -3.925   8.816
  148    HB   ILE  15           HB       ILE  15   3.277  -2.947   7.322
  149   1HG1  ILE  15          HG12      ILE  15   1.565  -5.290   6.514
  150   2HG1  ILE  15          HG11      ILE  15   1.248  -3.670   5.902
  151   1HG2  ILE  15          HG21      ILE  15   3.664  -5.575   7.703
  152   2HG2  ILE  15          HG22      ILE  15   2.686  -5.208   9.124
  153   3HG2  ILE  15          HG23      ILE  15   4.196  -4.340   8.844
  154   1HD1  ILE  15          HD11      ILE  15   3.544  -5.484   5.365
  155   2HD1  ILE  15          HD12      ILE  15   3.767  -3.739   5.241
  156   3HD1  ILE  15          HD13      ILE  15   2.558  -4.546   4.243
  157    H    GLN  16           HN       GLN  16   2.081  -0.666   8.551
  158    HA   GLN  16           HA       GLN  16   3.693  -0.806  10.923
  159   1HB   GLN  16          HB2       GLN  16   2.714   1.535   9.282
  160   2HB   GLN  16          HB1       GLN  16   3.801   1.687  10.656
  161   1HG   GLN  16          HG2       GLN  16   4.922  -0.261   8.973
  162   2HG   GLN  16          HG1       GLN  16   4.395   1.060   7.930
  163   1HE2  GLN  16          HE21      GLN  16   5.199   3.182   8.370
  164   2HE2  GLN  16          HE22      GLN  16   6.724   3.389   9.155
  165    H    ASN  17           HN       ASN  17   0.404   0.069  10.152
  166    HA   ASN  17           HA       ASN  17  -0.210   1.456  12.535
  167   1HB   ASN  17          HB2       ASN  17  -1.539   0.910  10.184
  168   2HB   ASN  17          HB1       ASN  17  -2.433  -0.051  11.359
  169   1HD2  ASN  17          HD21      ASN  17  -2.913   1.184  13.441
  170   2HD2  ASN  17          HD22      ASN  17  -3.500   2.797  13.241
  171    H    ASP  18           HN       ASP  18  -0.031   0.621  14.505
  172    HA   ASP  18           HA       ASP  18  -0.060  -2.166  15.047
  173   1HB   ASP  18          HB2       ASP  18  -0.125  -1.392  17.463
  174   2HB   ASP  18          HB1       ASP  18   1.226  -0.795  16.504
  175    H    LYS  19           HN       LYS  19  -2.473   0.373  15.213
  176    HA   LYS  19           HA       LYS  19  -4.414  -1.413  16.448
  177   1HB   LYS  19          HB2       LYS  19  -4.183   1.491  16.003
  178   2HB   LYS  19          HB1       LYS  19  -5.812   0.848  15.844
  179   1HG   LYS  19          HG2       LYS  19  -5.889   1.210  18.055
  180   2HG   LYS  19          HG1       LYS  19  -5.052  -0.342  18.138
  181   1HD   LYS  19          HD2       LYS  19  -3.057   0.608  18.696
  182   2HD   LYS  19          HD1       LYS  19  -3.387   2.088  17.792
  183   1HE   LYS  19          HE2       LYS  19  -5.287   2.193  19.744
  184   2HE   LYS  19          HE1       LYS  19  -3.948   1.418  20.590
  185   1HZ   LYS  19          HZ1       LYS  19  -3.854   4.015  19.154
  186   2HZ   LYS  19          HZ2       LYS  19  -2.519   3.259  19.866
  187   3HZ   LYS  19          HZ3       LYS  19  -3.802   3.790  20.831
  188   1HN   NH2  20          NH1       NH2  20  -6.595  -1.559  15.479
  189   2HN   NH2  20          NH2       NH2  20  -6.720  -1.735  13.765
  Start of MODEL    9
    1   1H    ALA   1          HT1       ALA   1   1.529  -2.967 -13.131
    2   2H    ALA   1          HT2       ALA   1   0.434  -4.279 -13.293
    3   3H    ALA   1          HT3       ALA   1  -0.125  -2.756 -12.732
    4    HA   ALA   1           HA       ALA   1   1.129  -3.074 -15.356
    5   1HB   ALA   1          HB1       ALA   1  -0.726  -4.673 -15.213
    6   2HB   ALA   1          HB2       ALA   1  -1.076  -3.356 -16.332
    7   3HB   ALA   1          HB3       ALA   1  -1.806  -3.366 -14.726
    8    H    LYS   2           HN       LYS   2  -1.574  -1.515 -13.619
    9    HA   LYS   2           HA       LYS   2  -0.941   0.987 -15.006
   10   1HB   LYS   2          HB2       LYS   2  -3.353  -0.274 -14.501
   11   2HB   LYS   2          HB1       LYS   2  -3.309   1.002 -13.293
   12   1HG   LYS   2          HG2       LYS   2  -2.839   2.624 -15.128
   13   2HG   LYS   2          HG1       LYS   2  -3.102   1.311 -16.278
   14   1HD   LYS   2          HD2       LYS   2  -5.369   0.996 -15.195
   15   2HD   LYS   2          HD1       LYS   2  -5.080   2.523 -14.358
   16   1HE   LYS   2          HE2       LYS   2  -4.592   3.436 -16.739
   17   2HE   LYS   2          HE1       LYS   2  -5.471   2.007 -17.280
   18   1HZ   LYS   2          HZ1       LYS   2  -7.400   2.711 -16.125
   19   2HZ   LYS   2          HZ2       LYS   2  -6.847   4.050 -16.999
   20   3HZ   LYS   2          HZ3       LYS   2  -6.571   3.956 -15.333
   21    H    LYS   3           HN       LYS   3   0.966   0.567 -13.255
   22    HA   LYS   3           HA       LYS   3   2.010   1.207 -11.315
   23   1HB   LYS   3          HB2       LYS   3   1.968   3.280 -12.574
   24   2HB   LYS   3          HB1       LYS   3   0.350   3.638 -11.998
   25   1HG   LYS   3          HG2       LYS   3   2.161   3.230  -9.792
   26   2HG   LYS   3          HG1       LYS   3   2.767   4.468 -10.892
   27   1HD   LYS   3          HD2       LYS   3   0.088   5.080 -10.672
   28   2HD   LYS   3          HD1       LYS   3   0.513   4.547  -9.045
   29   1HE   LYS   3          HE2       LYS   3   0.912   6.866  -9.071
   30   2HE   LYS   3          HE1       LYS   3   2.500   6.114  -9.207
   31   1HZ   LYS   3          HZ1       LYS   3   2.051   8.025 -10.749
   32   2HZ   LYS   3          HZ2       LYS   3   0.958   7.026 -11.566
   33   3HZ   LYS   3          HZ3       LYS   3   2.594   6.605 -11.493
   34    H    VAL   4           HN       VAL   4  -0.205  -0.372 -10.797
   35    HA   VAL   4           HA       VAL   4  -1.785   0.749  -8.685
   36    HB   VAL   4           HB       VAL   4  -1.183  -2.181  -9.136
   37   1HG1  VAL   4          HG11      VAL   4  -2.517  -2.523  -7.397
   38   2HG1  VAL   4          HG12      VAL   4  -3.827  -1.689  -8.231
   39   3HG1  VAL   4          HG13      VAL   4  -2.722  -0.783  -7.197
   40   1HG2  VAL   4          HG21      VAL   4  -3.318  -0.463 -10.394
   41   2HG2  VAL   4          HG22      VAL   4  -3.290  -2.225 -10.451
   42   3HG2  VAL   4          HG23      VAL   4  -2.001  -1.297 -11.218
   43    H    PHE   5           HN       PHE   5   1.365  -0.008  -9.060
   44    HA   PHE   5           HA       PHE   5   2.333  -1.234  -6.850
   45   1HB   PHE   5          HB2       PHE   5   3.624  -0.481  -8.836
   46   2HB   PHE   5          HB1       PHE   5   3.499   1.171  -8.255
   47    HD1  PHE   5           HD1      PHE   5   5.333   2.016  -7.173
   48    HD2  PHE   5           HD2      PHE   5   4.563  -2.162  -6.941
   49    HE1  PHE   5           HE1      PHE   5   7.391   1.715  -5.859
   50    HE2  PHE   5           HE2      PHE   5   6.619  -2.472  -5.625
   51    HZ   PHE   5           HZ       PHE   5   8.036  -0.532  -5.083
   52    H    LYS   6           HN       LYS   6   0.919   1.856  -7.077
   53    HA   LYS   6           HA       LYS   6   1.958   2.964  -4.673
   54   1HB   LYS   6          HB2       LYS   6   0.986   4.350  -6.480
   55   2HB   LYS   6          HB1       LYS   6  -0.594   3.656  -6.145
   56   1HG   LYS   6          HG2       LYS   6  -0.230   4.555  -3.754
   57   2HG   LYS   6          HG1       LYS   6   1.017   5.559  -4.496
   58   1HD   LYS   6          HD2       LYS   6  -0.489   6.901  -5.484
   59   2HD   LYS   6          HD1       LYS   6  -1.524   5.550  -5.950
   60   1HE   LYS   6          HE2       LYS   6  -1.895   5.570  -3.270
   61   2HE   LYS   6          HE1       LYS   6  -1.621   7.285  -3.573
   62   1HZ   LYS   6          HZ1       LYS   6  -3.848   7.174  -3.922
   63   2HZ   LYS   6          HZ2       LYS   6  -3.818   5.569  -4.456
   64   3HZ   LYS   6          HZ3       LYS   6  -3.333   6.814  -5.493
   65    H    ARG   7           HN       ARG   7  -0.862   1.040  -5.506
   66    HA   ARG   7           HA       ARG   7  -2.212   1.261  -3.042
   67   1HB   ARG   7          HB2       ARG   7  -2.242  -0.774  -5.253
   68   2HB   ARG   7          HB1       ARG   7  -3.147  -1.052  -3.770
   69   1HG   ARG   7          HG2       ARG   7  -3.652   1.589  -4.817
   70   2HG   ARG   7          HG1       ARG   7  -3.992   0.344  -6.020
   71   1HD   ARG   7          HD2       ARG   7  -5.923   0.972  -4.534
   72   2HD   ARG   7          HD1       ARG   7  -5.533  -0.746  -4.586
   73    HE   ARG   7           HE       ARG   7  -5.033  -0.656  -2.360
   74   1HH1  ARG   7          HH11      ARG   7  -5.040   2.594  -3.629
   75   2HH1  ARG   7          HH12      ARG   7  -4.852   3.335  -2.075
   76   1HH2  ARG   7          HH21      ARG   7  -4.787   0.316  -0.315
   77   2HH2  ARG   7          HH22      ARG   7  -4.709   2.042  -0.193
   78    H    LEU   8           HN       LEU   8   0.417  -0.769  -4.161
   79    HA   LEU   8           HA       LEU   8   0.393  -2.645  -2.057
   80   1HB   LEU   8          HB2       LEU   8   1.667  -2.795  -4.240
   81   2HB   LEU   8          HB1       LEU   8   2.831  -1.682  -3.548
   82    HG   LEU   8           HG       LEU   8   2.318  -3.988  -1.830
   83   1HD1  LEU   8          HD11      LEU   8   3.562  -4.460  -4.535
   84   2HD1  LEU   8          HD12      LEU   8   2.007  -5.091  -3.993
   85   3HD1  LEU   8          HD13      LEU   8   3.495  -5.613  -3.202
   86   1HD2  LEU   8          HD21      LEU   8   4.854  -4.060  -2.009
   87   2HD2  LEU   8          HD22      LEU   8   4.145  -2.605  -1.310
   88   3HD2  LEU   8          HD23      LEU   8   4.718  -2.592  -2.978
   89    H    GLU   9           HN       GLU   9   1.946   0.507  -2.430
   90    HA   GLU   9           HA       GLU   9   3.433   0.398  -0.020
   91   1HB   GLU   9          HB2       GLU   9   2.502   2.664  -1.774
   92   2HB   GLU   9          HB1       GLU   9   3.385   2.959  -0.282
   93   1HG   GLU   9          HG2       GLU   9   4.366   1.354  -2.632
   94   2HG   GLU   9          HG1       GLU   9   4.865   2.990  -2.206
   95    H    LYS  10           HN       LYS  10   0.151   1.280  -0.811
   96    HA   LYS  10           HA       LYS  10  -0.470   2.570   1.642
   97   1HB   LYS  10          HB2       LYS  10  -1.916   1.668  -0.741
   98   2HB   LYS  10          HB1       LYS  10  -2.860   1.521   0.735
   99   1HG   LYS  10          HG2       LYS  10  -3.263   3.653  -0.345
  100   2HG   LYS  10          HG1       LYS  10  -2.482   3.882   1.220
  101   1HD   LYS  10          HD2       LYS  10  -0.398   3.644  -0.639
  102   2HD   LYS  10          HD1       LYS  10  -1.600   4.687  -1.402
  103   1HE   LYS  10          HE2       LYS  10  -0.858   5.182   1.441
  104   2HE   LYS  10          HE1       LYS  10   0.261   5.678   0.171
  105   1HZ   LYS  10          HZ1       LYS  10  -1.141   7.278  -0.567
  106   2HZ   LYS  10          HZ2       LYS  10  -1.658   7.245   1.042
  107   3HZ   LYS  10          HZ3       LYS  10  -2.543   6.429  -0.146
  108    H    LEU  11           HN       LEU  11  -0.553  -0.754   0.508
  109    HA   LEU  11           HA       LEU  11  -1.976  -1.844   2.693
  110   1HB   LEU  11          HB2       LEU  11  -1.333  -2.877   0.381
  111   2HB   LEU  11          HB1       LEU  11   0.128  -3.377   1.210
  112    HG   LEU  11           HG       LEU  11  -1.401  -4.485   2.927
  113   1HD1  LEU  11          HD11      LEU  11  -3.408  -3.166   1.951
  114   2HD1  LEU  11          HD12      LEU  11  -3.637  -4.836   2.469
  115   3HD1  LEU  11          HD13      LEU  11  -3.454  -4.462   0.756
  116   1HD2  LEU  11          HD21      LEU  11  -1.564  -5.598   0.135
  117   2HD2  LEU  11          HD22      LEU  11  -1.537  -6.487   1.658
  118   3HD2  LEU  11          HD23      LEU  11  -0.095  -5.631   1.112
  119    H    PHE  12           HN       PHE  12   1.442  -1.192   2.123
  120    HA   PHE  12           HA       PHE  12   2.406  -2.536   4.426
  121   1HB   PHE  12          HB2       PHE  12   3.773  -1.761   2.421
  122   2HB   PHE  12          HB1       PHE  12   3.699  -0.143   3.110
  123    HD1  PHE  12           HD1      PHE  12   5.171  -3.455   3.362
  124    HD2  PHE  12           HD2      PHE  12   4.850   0.366   5.207
  125    HE1  PHE  12           HE1      PHE  12   7.133  -3.968   4.757
  126    HE2  PHE  12           HE2      PHE  12   6.812  -0.139   6.605
  127    HZ   PHE  12           HZ       PHE  12   7.955  -2.309   6.380
  128    H    SER  13           HN       SER  13   1.107   0.656   3.838
  129    HA   SER  13           HA       SER  13   1.878   1.736   6.363
  130   1HB   SER  13          HB2       SER  13   1.116   2.931   4.118
  131   2HB   SER  13          HB1       SER  13  -0.472   2.824   4.878
  132    HG   SER  13           HG       SER  13   0.448   3.902   6.701
  133    H    LYS  14           HN       LYS  14  -0.558  -0.375   5.323
  134    HA   LYS  14           HA       LYS  14  -2.388   0.207   7.475
  135   1HB   LYS  14          HB2       LYS  14  -3.048  -0.647   5.159
  136   2HB   LYS  14          HB1       LYS  14  -2.453  -2.214   5.689
  137   1HG   LYS  14          HG2       LYS  14  -4.058  -2.014   7.635
  138   2HG   LYS  14          HG1       LYS  14  -4.767  -0.643   6.781
  139   1HD   LYS  14          HD2       LYS  14  -5.431  -1.995   4.961
  140   2HD   LYS  14          HD1       LYS  14  -4.423  -3.341   5.496
  141   1HE   LYS  14          HE2       LYS  14  -5.974  -3.086   7.658
  142   2HE   LYS  14          HE1       LYS  14  -7.088  -2.461   6.442
  143   1HZ   LYS  14          HZ1       LYS  14  -6.887  -4.493   5.209
  144   2HZ   LYS  14          HZ2       LYS  14  -7.299  -4.871   6.805
  145   3HZ   LYS  14          HZ3       LYS  14  -5.709  -5.085   6.269
  146    H    ILE  15           HN       ILE  15   0.320  -1.786   6.917
  147    HA   ILE  15           HA       ILE  15  -0.279  -3.650   9.053
  148    HB   ILE  15           HB       ILE  15   2.317  -3.326   7.547
  149   1HG1  ILE  15          HG12      ILE  15   0.135  -5.326   6.962
  150   2HG1  ILE  15          HG11      ILE  15   0.254  -3.784   6.122
  151   1HG2  ILE  15          HG21      ILE  15   2.423  -5.825   8.196
  152   2HG2  ILE  15          HG22      ILE  15   1.213  -5.395   9.405
  153   3HG2  ILE  15          HG23      ILE  15   2.792  -4.609   9.420
  154   1HD1  ILE  15          HD11      ILE  15   2.369  -4.377   5.195
  155   2HD1  ILE  15          HD12      ILE  15   1.245  -5.704   4.903
  156   3HD1  ILE  15          HD13      ILE  15   2.450  -5.835   6.185
  157    H    GLN  16           HN       GLN  16   1.557  -0.726   8.560
  158    HA   GLN  16           HA       GLN  16   3.005  -0.978  11.052
  159   1HB   GLN  16          HB2       GLN  16   3.820   0.183   8.900
  160   2HB   GLN  16          HB1       GLN  16   2.798   1.525   9.396
  161   1HG   GLN  16          HG2       GLN  16   4.646   0.480  11.440
  162   2HG   GLN  16          HG1       GLN  16   5.384   1.291  10.059
  163   1HE2  GLN  16          HE21      GLN  16   4.232   3.406   9.476
  164   2HE2  GLN  16          HE22      GLN  16   3.869   4.451  10.803
  165    H    ASN  17           HN       ASN  17   0.401   1.063   9.758
  166    HA   ASN  17           HA       ASN  17   0.007   2.570  12.112
  167   1HB   ASN  17          HB2       ASN  17  -0.939   2.727   9.563
  168   2HB   ASN  17          HB1       ASN  17  -2.360   2.122  10.409
  169   1HD2  ASN  17          HD21      ASN  17  -3.285   3.380  12.054
  170   2HD2  ASN  17          HD22      ASN  17  -2.986   5.078  12.164
  171    H    ASP  18           HN       ASP  18  -1.741  -0.246  10.811
  172    HA   ASP  18           HA       ASP  18  -3.140  -0.547  13.358
  173   1HB   ASP  18          HB2       ASP  18  -3.546  -1.585  10.590
  174   2HB   ASP  18          HB1       ASP  18  -4.168  -2.540  11.933
  175    H    LYS  19           HN       LYS  19  -0.449  -1.007  13.598
  176    HA   LYS  19           HA       LYS  19   0.125  -3.817  13.343
  177   1HB   LYS  19          HB2       LYS  19   2.253  -3.266  14.422
  178   2HB   LYS  19          HB1       LYS  19   1.909  -2.162  13.098
  179   1HG   LYS  19          HG2       LYS  19   2.279  -0.484  14.491
  180   2HG   LYS  19          HG1       LYS  19   0.818  -0.951  15.364
  181   1HD   LYS  19          HD2       LYS  19   2.208  -2.528  16.706
  182   2HD   LYS  19          HD1       LYS  19   3.639  -1.868  15.911
  183   1HE   LYS  19          HE2       LYS  19   1.724  -0.007  17.239
  184   2HE   LYS  19          HE1       LYS  19   2.839  -0.942  18.234
  185   1HZ   LYS  19          HZ1       LYS  19   4.625   0.192  17.464
  186   2HZ   LYS  19          HZ2       LYS  19   3.470   1.409  17.249
  187   3HZ   LYS  19          HZ3       LYS  19   3.957   0.465  15.933
  188   1HN   NH2  20          NH1       NH2  20  -0.988  -1.656  15.831
  189   2HN   NH2  20          NH2       NH2  20  -1.158  -2.841  17.077
  Start of MODEL   10
    1   1H    ALA   1          HT1       ALA   1  -4.140  -1.070 -15.203
    2   2H    ALA   1          HT2       ALA   1  -3.629  -0.078 -16.506
    3   3H    ALA   1          HT3       ALA   1  -5.049   0.320 -15.627
    4    HA   ALA   1           HA       ALA   1  -2.975   1.612 -15.153
    5   1HB   ALA   1          HB1       ALA   1  -3.707   2.017 -12.994
    6   2HB   ALA   1          HB2       ALA   1  -4.133   0.328 -12.712
    7   3HB   ALA   1          HB3       ALA   1  -5.139   1.329 -13.759
    8    H    LYS   2           HN       LYS   2  -0.874   1.142 -15.278
    9    HA   LYS   2           HA       LYS   2   0.144  -1.259 -13.948
   10   1HB   LYS   2          HB2       LYS   2   0.694  -0.694 -16.374
   11   2HB   LYS   2          HB1       LYS   2   1.699   0.601 -15.739
   12   1HG   LYS   2          HG2       LYS   2   2.795  -1.282 -14.334
   13   2HG   LYS   2          HG1       LYS   2   2.070  -2.353 -15.535
   14   1HD   LYS   2          HD2       LYS   2   3.671   0.017 -16.410
   15   2HD   LYS   2          HD1       LYS   2   4.488  -1.459 -15.894
   16   1HE   LYS   2          HE2       LYS   2   4.283  -1.907 -18.120
   17   2HE   LYS   2          HE1       LYS   2   2.750  -2.567 -17.552
   18   1HZ   LYS   2          HZ1       LYS   2   3.016   0.217 -18.523
   19   2HZ   LYS   2          HZ2       LYS   2   1.598  -0.676 -18.293
   20   3HZ   LYS   2          HZ3       LYS   2   2.650  -1.071 -19.557
   21    H    LYS   3           HN       LYS   3  -0.618   0.597 -12.138
   22    HA   LYS   3           HA       LYS   3   1.915   1.265 -10.881
   23   1HB   LYS   3          HB2       LYS   3   0.928   3.252 -12.351
   24   2HB   LYS   3          HB1       LYS   3  -0.085   3.485 -10.933
   25   1HG   LYS   3          HG2       LYS   3   1.556   4.531  -9.883
   26   2HG   LYS   3          HG1       LYS   3   2.625   3.144 -10.099
   27   1HD   LYS   3          HD2       LYS   3   3.044   4.008 -12.445
   28   2HD   LYS   3          HD1       LYS   3   2.228   5.490 -11.943
   29   1HE   LYS   3          HE2       LYS   3   3.994   5.151  -9.912
   30   2HE   LYS   3          HE1       LYS   3   4.901   4.472 -11.262
   31   1HZ   LYS   3          HZ1       LYS   3   4.699   6.504 -12.454
   32   2HZ   LYS   3          HZ2       LYS   3   5.245   6.890 -10.901
   33   3HZ   LYS   3          HZ3       LYS   3   3.627   7.151 -11.316
   34    H    VAL   4           HN       VAL   4  -0.018  -0.646 -10.302
   35    HA   VAL   4           HA       VAL   4  -1.683   0.237  -8.144
   36    HB   VAL   4           HB       VAL   4  -0.668  -2.563  -8.684
   37   1HG1  VAL   4          HG11      VAL   4  -2.734  -1.416  -6.863
   38   2HG1  VAL   4          HG12      VAL   4  -1.533  -2.670  -6.554
   39   3HG1  VAL   4          HG13      VAL   4  -2.961  -3.036  -7.523
   40   1HG2  VAL   4          HG21      VAL   4  -2.811  -0.961  -9.945
   41   2HG2  VAL   4          HG22      VAL   4  -3.191  -2.642  -9.567
   42   3HG2  VAL   4          HG23      VAL   4  -1.822  -2.260 -10.612
   43    H    PHE   5           HN       PHE   5   1.530  -0.028  -8.616
   44    HA   PHE   5           HA       PHE   5   2.738  -1.098  -6.440
   45   1HB   PHE   5          HB2       PHE   5   3.836  -0.173  -8.470
   46   2HB   PHE   5          HB1       PHE   5   3.502   1.446  -7.876
   47    HD1  PHE   5           HD1      PHE   5   5.369  -1.664  -7.138
   48    HD2  PHE   5           HD2      PHE   5   4.934   2.493  -6.334
   49    HE1  PHE   5           HE1      PHE   5   7.493  -1.686  -5.896
   50    HE2  PHE   5           HE2      PHE   5   7.058   2.479  -5.092
   51    HZ   PHE   5           HZ       PHE   5   8.340   0.388  -4.871
   52    H    LYS   6           HN       LYS   6   0.872   1.744  -6.604
   53    HA   LYS   6           HA       LYS   6   1.836   2.988  -4.228
   54   1HB   LYS   6          HB2       LYS   6   0.369   3.924  -6.241
   55   2HB   LYS   6          HB1       LYS   6  -0.953   3.461  -5.179
   56   1HG   LYS   6          HG2       LYS   6   1.174   4.997  -3.875
   57   2HG   LYS   6          HG1       LYS   6   0.302   5.864  -5.140
   58   1HD   LYS   6          HD2       LYS   6  -1.745   4.681  -3.801
   59   2HD   LYS   6          HD1       LYS   6  -0.600   4.971  -2.489
   60   1HE   LYS   6          HE2       LYS   6  -0.424   7.346  -3.370
   61   2HE   LYS   6          HE1       LYS   6  -1.830   6.973  -4.367
   62   1HZ   LYS   6          HZ1       LYS   6  -2.560   8.014  -2.362
   63   2HZ   LYS   6          HZ2       LYS   6  -1.689   6.927  -1.403
   64   3HZ   LYS   6          HZ3       LYS   6  -3.019   6.386  -2.297
   65    H    ARG   7           HN       ARG   7  -0.857   0.833  -4.996
   66    HA   ARG   7           HA       ARG   7  -2.027   0.833  -2.430
   67   1HB   ARG   7          HB2       ARG   7  -2.176  -0.899  -4.841
   68   2HB   ARG   7          HB1       ARG   7  -2.705  -1.604  -3.319
   69   1HG   ARG   7          HG2       ARG   7  -4.377   0.061  -3.034
   70   2HG   ARG   7          HG1       ARG   7  -3.743   1.011  -4.379
   71   1HD   ARG   7          HD2       ARG   7  -5.764  -0.233  -5.003
   72   2HD   ARG   7          HD1       ARG   7  -4.359  -0.740  -5.940
   73    HE   ARG   7           HE       ARG   7  -4.562  -2.825  -5.034
   74   1HH1  ARG   7          HH11      ARG   7  -6.367  -0.579  -3.066
   75   2HH1  ARG   7          HH12      ARG   7  -7.061  -1.814  -2.071
   76   1HH2  ARG   7          HH21      ARG   7  -5.474  -4.452  -3.726
   77   2HH2  ARG   7          HH22      ARG   7  -6.554  -4.014  -2.445
   78    H    LEU   8           HN       LEU   8   0.680  -0.867  -3.833
   79    HA   LEU   8           HA       LEU   8   0.951  -2.887  -1.881
   80   1HB   LEU   8          HB2       LEU   8   2.139  -2.468  -4.220
   81   2HB   LEU   8          HB1       LEU   8   3.358  -1.727  -3.201
   82    HG   LEU   8           HG       LEU   8   3.115  -4.034  -1.886
   83   1HD1  LEU   8          HD11      LEU   8   2.777  -5.040  -4.668
   84   2HD1  LEU   8          HD12      LEU   8   1.344  -4.635  -3.723
   85   3HD1  LEU   8          HD13      LEU   8   2.478  -5.849  -3.129
   86   1HD2  LEU   8          HD21      LEU   8   4.791  -3.175  -4.175
   87   2HD2  LEU   8          HD22      LEU   8   4.895  -4.864  -3.677
   88   3HD2  LEU   8          HD23      LEU   8   5.249  -3.580  -2.520
   89    H    GLU   9           HN       GLU   9   2.133   0.431  -2.100
   90    HA   GLU   9           HA       GLU   9   3.811   0.300   0.188
   91   1HB   GLU   9          HB2       GLU   9   3.659   2.087  -1.735
   92   2HB   GLU   9          HB1       GLU   9   2.483   2.845  -0.670
   93   1HG   GLU   9          HG2       GLU   9   4.188   3.851   0.320
   94   2HG   GLU   9          HG1       GLU   9   4.619   2.279   0.993
   95    H    LYS  10           HN       LYS  10   0.411   0.921  -0.316
   96    HA   LYS  10           HA       LYS  10  -0.133   1.941   2.282
   97   1HB   LYS  10          HB2       LYS  10  -1.671   2.314   0.414
   98   2HB   LYS  10          HB1       LYS  10  -1.960   0.585   0.286
   99   1HG   LYS  10          HG2       LYS  10  -3.099   0.535   2.368
  100   2HG   LYS  10          HG1       LYS  10  -2.598   2.184   2.751
  101   1HD   LYS  10          HD2       LYS  10  -4.036   1.957   0.217
  102   2HD   LYS  10          HD1       LYS  10  -4.991   1.461   1.616
  103   1HE   LYS  10          HE2       LYS  10  -4.518   3.588   2.707
  104   2HE   LYS  10          HE1       LYS  10  -3.522   4.082   1.338
  105   1HZ   LYS  10          HZ1       LYS  10  -5.483   3.977  -0.074
  106   2HZ   LYS  10          HZ2       LYS  10  -5.729   5.046   1.212
  107   3HZ   LYS  10          HZ3       LYS  10  -6.436   3.510   1.243
  108    H    LEU  11           HN       LEU  11   0.038  -1.254   0.860
  109    HA   LEU  11           HA       LEU  11  -1.165  -2.680   2.981
  110   1HB   LEU  11          HB2       LEU  11  -0.301  -3.350   0.510
  111   2HB   LEU  11          HB1       LEU  11   1.017  -3.991   1.472
  112    HG   LEU  11           HG       LEU  11  -1.033  -5.034   2.844
  113   1HD1  LEU  11          HD11      LEU  11  -2.802  -4.136   1.530
  114   2HD1  LEU  11          HD12      LEU  11  -2.694  -5.858   1.162
  115   3HD1  LEU  11          HD13      LEU  11  -2.042  -4.672   0.031
  116   1HD2  LEU  11          HD21      LEU  11  -0.330  -6.462   0.337
  117   2HD2  LEU  11          HD22      LEU  11  -0.360  -7.042   2.002
  118   3HD2  LEU  11          HD23      LEU  11   0.976  -6.035   1.443
  119    H    PHE  12           HN       PHE  12   2.107  -1.534   2.394
  120    HA   PHE  12           HA       PHE  12   3.368  -2.986   4.466
  121   1HB   PHE  12          HB2       PHE  12   4.555  -1.800   2.600
  122   2HB   PHE  12          HB1       PHE  12   4.167  -0.273   3.387
  123    HD1  PHE  12           HD1      PHE  12   5.814   0.668   4.663
  124    HD2  PHE  12           HD2      PHE  12   5.679  -3.568   4.285
  125    HE1  PHE  12           HE1      PHE  12   7.854   0.486   6.025
  126    HE2  PHE  12           HE2      PHE  12   7.719  -3.759   5.647
  127    HZ   PHE  12           HZ       PHE  12   8.809  -1.730   6.519
  128    H    SER  13           HN       SER  13   1.620   0.055   4.373
  129    HA   SER  13           HA       SER  13   2.321   0.869   7.005
  130   1HB   SER  13          HB2       SER  13  -0.273   1.792   5.933
  131   2HB   SER  13          HB1       SER  13   1.077   2.727   6.576
  132    HG   SER  13           HG       SER  13   2.156   2.118   4.521
  133    H    LYS  14           HN       LYS  14   0.197  -1.453   5.753
  134    HA   LYS  14           HA       LYS  14  -1.569  -1.494   8.035
  135   1HB   LYS  14          HB2       LYS  14  -1.346  -3.040   5.492
  136   2HB   LYS  14          HB1       LYS  14  -2.225  -3.758   6.835
  137   1HG   LYS  14          HG2       LYS  14  -3.295  -1.260   6.767
  138   2HG   LYS  14          HG1       LYS  14  -2.966  -1.554   5.058
  139   1HD   LYS  14          HD2       LYS  14  -4.372  -3.410   4.982
  140   2HD   LYS  14          HD1       LYS  14  -4.342  -3.624   6.733
  141   1HE   LYS  14          HE2       LYS  14  -5.665  -1.610   7.025
  142   2HE   LYS  14          HE1       LYS  14  -5.640  -1.317   5.287
  143   1HZ   LYS  14          HZ1       LYS  14  -6.821  -3.735   6.538
  144   2HZ   LYS  14          HZ2       LYS  14  -6.933  -3.267   4.917
  145   3HZ   LYS  14          HZ3       LYS  14  -7.713  -2.361   6.113
  146    H    ILE  15           HN       ILE  15   1.445  -2.781   7.188
  147    HA   ILE  15           HA       ILE  15   1.294  -5.075   8.950
  148    HB   ILE  15           HB       ILE  15   3.744  -3.935   7.607
  149   1HG1  ILE  15          HG12      ILE  15   1.833  -6.064   6.616
  150   2HG1  ILE  15          HG11      ILE  15   2.020  -4.451   5.935
  151   1HG2  ILE  15          HG21      ILE  15   3.259  -6.776   8.448
  152   2HG2  ILE  15          HG22      ILE  15   3.951  -5.579   9.543
  153   3HG2  ILE  15          HG23      ILE  15   4.786  -5.990   8.045
  154   1HD1  ILE  15          HD11      ILE  15   3.475  -6.834   5.359
  155   2HD1  ILE  15          HD12      ILE  15   4.580  -5.600   5.965
  156   3HD1  ILE  15          HD13      ILE  15   3.556  -5.258   4.571
  157    H    GLN  16           HN       GLN  16   2.474  -1.785   9.006
  158    HA   GLN  16           HA       GLN  16   3.567  -2.234  11.702
  159   1HB   GLN  16          HB2       GLN  16   4.576   0.127  11.237
  160   2HB   GLN  16          HB1       GLN  16   5.316  -1.295  10.517
  161   1HG   GLN  16          HG2       GLN  16   4.743  -0.702   8.417
  162   2HG   GLN  16          HG1       GLN  16   3.226   0.040   8.921
  163   1HE2  GLN  16          HE21      GLN  16   4.835   1.241   7.059
  164   2HE2  GLN  16          HE22      GLN  16   5.523   2.678   7.726
  165    H    ASN  17           HN       ASN  17   1.494  -0.098   9.791
  166    HA   ASN  17           HA       ASN  17   0.580   1.233  12.226
  167   1HB   ASN  17          HB2       ASN  17   1.108   2.264   9.785
  168   2HB   ASN  17          HB1       ASN  17  -0.617   1.950   9.612
  169   1HD2  ASN  17          HD21      ASN  17   1.072   4.435   9.896
  170   2HD2  ASN  17          HD22      ASN  17   0.294   5.334  11.150
  171    H    ASP  18           HN       ASP  18  -1.463   1.062  13.035
  172    HA   ASP  18           HA       ASP  18  -3.067  -1.150  12.001
  173   1HB   ASP  18          HB2       ASP  18  -2.358  -0.488  14.553
  174   2HB   ASP  18          HB1       ASP  18  -3.970   0.214  14.451
  175    H    LYS  19           HN       LYS  19  -2.964   1.566  10.749
  176    HA   LYS  19           HA       LYS  19  -5.758   2.396  11.114
  177   1HB   LYS  19          HB2       LYS  19  -3.757   4.034  11.301
  178   2HB   LYS  19          HB1       LYS  19  -3.709   3.936   9.546
  179   1HG   LYS  19          HG2       LYS  19  -6.366   4.471  10.654
  180   2HG   LYS  19          HG1       LYS  19  -5.169   5.727  10.971
  181   1HD   LYS  19          HD2       LYS  19  -4.652   5.812   8.565
  182   2HD   LYS  19          HD1       LYS  19  -5.895   4.594   8.269
  183   1HE   LYS  19          HE2       LYS  19  -6.973   6.606   7.803
  184   2HE   LYS  19          HE1       LYS  19  -7.488   6.228   9.446
  185   1HZ   LYS  19          HZ1       LYS  19  -6.879   8.533   9.293
  186   2HZ   LYS  19          HZ2       LYS  19  -5.358   8.143   8.665
  187   3HZ   LYS  19          HZ3       LYS  19  -5.744   7.732  10.260
  188   1HN   NH2  20          NH1       NH2  20  -3.379   2.004   8.503
  189   2HN   NH2  20          NH2       NH2  20  -4.515   1.501   7.303
  Start of MODEL   11
    1   1H    ALA   1          HT1       ALA   1  -3.663  -1.191 -15.806
    2   2H    ALA   1          HT2       ALA   1  -3.056  -0.185 -17.057
    3   3H    ALA   1          HT3       ALA   1  -4.525   0.217 -16.266
    4    HA   ALA   1           HA       ALA   1  -2.454   1.464 -15.640
    5   1HB   ALA   1          HB1       ALA   1  -4.773   0.981 -14.363
    6   2HB   ALA   1          HB2       ALA   1  -3.493   2.006 -13.714
    7   3HB   ALA   1          HB3       ALA   1  -3.630   0.327 -13.190
    8    H    LYS   2           HN       LYS   2  -0.363   0.938 -15.607
    9    HA   LYS   2           HA       LYS   2   0.480  -1.481 -14.184
   10   1HB   LYS   2          HB2       LYS   2   1.200  -0.971 -16.587
   11   2HB   LYS   2          HB1       LYS   2   2.228   0.276 -15.897
   12   1HG   LYS   2          HG2       LYS   2   3.745  -1.201 -15.180
   13   2HG   LYS   2          HG1       LYS   2   2.518  -2.338 -14.621
   14   1HD   LYS   2          HD2       LYS   2   2.284  -2.430 -17.374
   15   2HD   LYS   2          HD1       LYS   2   4.023  -2.292 -17.110
   16   1HE   LYS   2          HE2       LYS   2   3.424  -4.620 -17.171
   17   2HE   LYS   2          HE1       LYS   2   3.888  -4.190 -15.525
   18   1HZ   LYS   2          HZ1       LYS   2   1.599  -4.102 -14.889
   19   2HZ   LYS   2          HZ2       LYS   2   1.874  -5.585 -15.655
   20   3HZ   LYS   2          HZ3       LYS   2   1.082  -4.340 -16.482
   21    H    LYS   3           HN       LYS   3  -0.335   0.461 -12.484
   22    HA   LYS   3           HA       LYS   3   2.137   1.081 -11.082
   23   1HB   LYS   3          HB2       LYS   3   1.644   3.427 -10.776
   24   2HB   LYS   3          HB1       LYS   3   1.689   3.081 -12.499
   25   1HG   LYS   3          HG2       LYS   3  -0.894   2.796 -12.208
   26   2HG   LYS   3          HG1       LYS   3  -0.629   3.778 -10.766
   27   1HD   LYS   3          HD2       LYS   3  -0.198   5.642 -11.961
   28   2HD   LYS   3          HD1       LYS   3   0.686   4.759 -13.207
   29   1HE   LYS   3          HE2       LYS   3  -1.475   3.951 -14.105
   30   2HE   LYS   3          HE1       LYS   3  -2.309   4.944 -12.910
   31   1HZ   LYS   3          HZ1       LYS   3  -2.298   6.398 -14.621
   32   2HZ   LYS   3          HZ2       LYS   3  -0.916   5.742 -15.342
   33   3HZ   LYS   3          HZ3       LYS   3  -0.765   6.777 -14.013
   34    H    VAL   4           HN       VAL   4   0.128  -0.778 -10.582
   35    HA   VAL   4           HA       VAL   4  -1.636   0.184  -8.539
   36    HB   VAL   4           HB       VAL   4  -0.662  -2.654  -8.928
   37   1HG1  VAL   4          HG11      VAL   4  -2.926  -3.154  -7.906
   38   2HG1  VAL   4          HG12      VAL   4  -3.000  -1.446  -7.473
   39   3HG1  VAL   4          HG13      VAL   4  -1.716  -2.465  -6.825
   40   1HG2  VAL   4          HG21      VAL   4  -1.589  -1.945 -11.017
   41   2HG2  VAL   4          HG22      VAL   4  -2.978  -1.214 -10.212
   42   3HG2  VAL   4          HG23      VAL   4  -2.782  -2.967 -10.214
   43    H    PHE   5           HN       PHE   5   1.592  -0.178  -8.823
   44    HA   PHE   5           HA       PHE   5   2.642  -1.221  -6.553
   45   1HB   PHE   5          HB2       PHE   5   3.877  -0.374  -8.544
   46   2HB   PHE   5          HB1       PHE   5   3.563   1.265  -7.998
   47    HD1  PHE   5           HD1      PHE   5   5.424  -1.824  -7.310
   48    HD2  PHE   5           HD2      PHE   5   4.800   2.233  -6.188
   49    HE1  PHE   5           HE1      PHE   5   7.474  -1.889  -5.949
   50    HE2  PHE   5           HE2      PHE   5   6.849   2.177  -4.827
   51    HZ   PHE   5           HZ       PHE   5   8.189   0.114  -4.706
   52    H    LYS   6           HN       LYS   6   0.872   1.665  -6.909
   53    HA   LYS   6           HA       LYS   6   1.725   2.963  -4.524
   54   1HB   LYS   6          HB2       LYS   6   0.646   4.160  -6.415
   55   2HB   LYS   6          HB1       LYS   6  -0.859   3.325  -6.056
   56   1HG   LYS   6          HG2       LYS   6  -1.197   4.506  -4.090
   57   2HG   LYS   6          HG1       LYS   6   0.502   4.967  -3.960
   58   1HD   LYS   6          HD2       LYS   6   0.272   6.724  -5.378
   59   2HD   LYS   6          HD1       LYS   6  -0.946   5.909  -6.362
   60   1HE   LYS   6          HE2       LYS   6  -1.477   6.961  -3.590
   61   2HE   LYS   6          HE1       LYS   6  -1.761   7.900  -5.055
   62   1HZ   LYS   6          HZ1       LYS   6  -3.030   5.295  -4.400
   63   2HZ   LYS   6          HZ2       LYS   6  -3.307   6.201  -5.802
   64   3HZ   LYS   6          HZ3       LYS   6  -3.777   6.810  -4.296
   65    H    ARG   7           HN       ARG   7  -0.911   0.778  -5.361
   66    HA   ARG   7           HA       ARG   7  -2.264   0.910  -2.887
   67   1HB   ARG   7          HB2       ARG   7  -2.153  -1.225  -5.017
   68   2HB   ARG   7          HB1       ARG   7  -3.165  -1.358  -3.585
   69   1HG   ARG   7          HG2       ARG   7  -3.432   1.129  -5.153
   70   2HG   ARG   7          HG1       ARG   7  -4.023  -0.352  -5.909
   71   1HD   ARG   7          HD2       ARG   7  -5.236  -0.769  -3.690
   72   2HD   ARG   7          HD1       ARG   7  -4.900   0.925  -3.337
   73    HE   ARG   7           HE       ARG   7  -6.509   1.530  -4.852
   74   1HH1  ARG   7          HH11      ARG   7  -5.735  -1.844  -5.301
   75   2HH1  ARG   7          HH12      ARG   7  -7.032  -2.122  -6.414
   76   1HH2  ARG   7          HH21      ARG   7  -8.215   1.166  -6.316
   77   2HH2  ARG   7          HH22      ARG   7  -8.440  -0.413  -6.990
   78    H    LEU   8           HN       LEU   8   0.485  -0.925  -4.039
   79    HA   LEU   8           HA       LEU   8   0.603  -2.806  -1.936
   80   1HB   LEU   8          HB2       LEU   8   2.193  -2.065  -4.209
   81   2HB   LEU   8          HB1       LEU   8   3.236  -2.246  -2.812
   82    HG   LEU   8           HG       LEU   8   1.993  -4.516  -2.495
   83   1HD1  LEU   8          HD11      LEU   8   1.289  -5.517  -4.623
   84   2HD1  LEU   8          HD12      LEU   8   1.497  -3.955  -5.415
   85   3HD1  LEU   8          HD13      LEU   8   0.272  -4.152  -4.162
   86   1HD2  LEU   8          HD21      LEU   8   3.730  -4.649  -4.874
   87   2HD2  LEU   8          HD22      LEU   8   3.843  -5.499  -3.333
   88   3HD2  LEU   8          HD23      LEU   8   4.405  -3.832  -3.464
   89    H    GLU   9           HN       GLU   9   1.795   0.476  -2.307
   90    HA   GLU   9           HA       GLU   9   3.443   0.492   0.002
   91   1HB   GLU   9          HB2       GLU   9   3.324   2.170  -1.996
   92   2HB   GLU   9          HB1       GLU   9   2.074   2.953  -1.039
   93   1HG   GLU   9          HG2       GLU   9   3.805   4.114  -0.216
   94   2HG   GLU   9          HG1       GLU   9   3.995   2.702   0.823
   95    H    LYS  10           HN       LYS  10   0.036   1.043  -0.564
   96    HA   LYS  10           HA       LYS  10  -0.534   2.176   1.984
   97   1HB   LYS  10          HB2       LYS  10  -2.446   0.657   0.203
   98   2HB   LYS  10          HB1       LYS  10  -2.853   1.849   1.429
   99   1HG   LYS  10          HG2       LYS  10  -1.588   3.533   0.045
  100   2HG   LYS  10          HG1       LYS  10  -1.525   2.310  -1.226
  101   1HD   LYS  10          HD2       LYS  10  -3.837   2.337  -1.533
  102   2HD   LYS  10          HD1       LYS  10  -4.131   3.083   0.039
  103   1HE   LYS  10          HE2       LYS  10  -2.592   4.969  -1.176
  104   2HE   LYS  10          HE1       LYS  10  -3.482   4.310  -2.549
  105   1HZ   LYS  10          HZ1       LYS  10  -5.008   5.803  -1.890
  106   2HZ   LYS  10          HZ2       LYS  10  -4.439   5.874  -0.299
  107   3HZ   LYS  10          HZ3       LYS  10  -5.446   4.603  -0.780
  108    H    LEU  11           HN       LEU  11  -0.524  -1.091   0.665
  109    HA   LEU  11           HA       LEU  11  -1.642  -2.365   2.930
  110   1HB   LEU  11          HB2       LEU  11  -0.932  -3.161   0.412
  111   2HB   LEU  11          HB1       LEU  11   0.325  -3.909   1.378
  112    HG   LEU  11           HG       LEU  11  -2.637  -4.286   1.828
  113   1HD1  LEU  11          HD11      LEU  11  -2.124  -6.610   0.995
  114   2HD1  LEU  11          HD12      LEU  11  -0.595  -5.966   0.396
  115   3HD1  LEU  11          HD13      LEU  11  -2.121  -5.337  -0.225
  116   1HD2  LEU  11          HD21      LEU  11  -1.370  -4.553   3.866
  117   2HD2  LEU  11          HD22      LEU  11  -0.221  -5.614   3.050
  118   3HD2  LEU  11          HD23      LEU  11  -1.889  -6.135   3.284
  119    H    PHE  12           HN       PHE  12   1.588  -1.329   2.082
  120    HA   PHE  12           HA       PHE  12   2.974  -2.787   4.078
  121   1HB   PHE  12          HB2       PHE  12   4.098  -1.748   2.132
  122   2HB   PHE  12          HB1       PHE  12   3.725  -0.155   2.781
  123    HD1  PHE  12           HD1      PHE  12   4.702   0.476   5.033
  124    HD2  PHE  12           HD2      PHE  12   6.023  -2.889   2.787
  125    HE1  PHE  12           HE1      PHE  12   6.798   0.444   6.321
  126    HE2  PHE  12           HE2      PHE  12   8.121  -2.928   4.072
  127    HZ   PHE  12           HZ       PHE  12   8.510  -1.261   5.842
  128    H    SER  13           HN       SER  13   1.277   0.279   4.035
  129    HA   SER  13           HA       SER  13   2.221   1.172   6.564
  130   1HB   SER  13          HB2       SER  13  -0.293   1.953   5.070
  131   2HB   SER  13          HB1       SER  13   0.402   2.826   6.436
  132    HG   SER  13           HG       SER  13   1.818   2.334   4.033
  133    H    LYS  14           HN       LYS  14  -0.044  -1.153   5.589
  134    HA   LYS  14           HA       LYS  14  -1.600  -1.080   8.016
  135   1HB   LYS  14          HB2       LYS  14  -1.561  -3.013   5.699
  136   2HB   LYS  14          HB1       LYS  14  -2.642  -3.165   7.077
  137   1HG   LYS  14          HG2       LYS  14  -2.637  -0.570   5.659
  138   2HG   LYS  14          HG1       LYS  14  -3.341  -1.951   4.815
  139   1HD   LYS  14          HD2       LYS  14  -4.304  -2.038   7.466
  140   2HD   LYS  14          HD1       LYS  14  -4.449  -0.364   6.928
  141   1HE   LYS  14          HE2       LYS  14  -6.453  -1.765   6.452
  142   2HE   LYS  14          HE1       LYS  14  -5.740  -1.018   5.024
  143   1HZ   LYS  14          HZ1       LYS  14  -4.992  -3.014   4.238
  144   2HZ   LYS  14          HZ2       LYS  14  -6.403  -3.523   5.019
  145   3HZ   LYS  14          HZ3       LYS  14  -4.902  -3.730   5.769
  146    H    ILE  15           HN       ILE  15   1.288  -2.494   6.935
  147    HA   ILE  15           HA       ILE  15   1.254  -4.693   8.820
  148    HB   ILE  15           HB       ILE  15   3.628  -3.729   7.232
  149   1HG1  ILE  15          HG12      ILE  15   1.822  -4.095   5.654
  150   2HG1  ILE  15          HG11      ILE  15   2.973  -5.421   5.533
  151   1HG2  ILE  15          HG21      ILE  15   4.195  -6.193   7.391
  152   2HG2  ILE  15          HG22      ILE  15   2.903  -6.312   8.586
  153   3HG2  ILE  15          HG23      ILE  15   4.291  -5.268   8.889
  154   1HD1  ILE  15          HD11      ILE  15   0.352  -5.501   7.009
  155   2HD1  ILE  15          HD12      ILE  15   1.500  -6.831   6.858
  156   3HD1  ILE  15          HD13      ILE  15   0.676  -6.211   5.428
  157    H    GLN  16           HN       GLN  16   2.536  -1.450   8.584
  158    HA   GLN  16           HA       GLN  16   4.143  -1.790  10.993
  159   1HB   GLN  16          HB2       GLN  16   4.604  -0.328   8.777
  160   2HB   GLN  16          HB1       GLN  16   3.820   0.892   9.772
  161   1HG   GLN  16          HG2       GLN  16   5.550  -0.028  11.567
  162   2HG   GLN  16          HG1       GLN  16   6.443  -0.433  10.102
  163   1HE2  GLN  16          HE21      GLN  16   5.886   1.912  12.364
  164   2HE2  GLN  16          HE22      GLN  16   6.471   3.286  11.495
  165    H    ASN  17           HN       ASN  17   1.625   0.483   9.879
  166    HA   ASN  17           HA       ASN  17   1.104   1.576  12.415
  167   1HB   ASN  17          HB2       ASN  17   0.265   2.085   9.833
  168   2HB   ASN  17          HB1       ASN  17  -1.209   1.529  10.620
  169   1HD2  ASN  17          HD21      ASN  17  -1.892   2.634  12.547
  170   2HD2  ASN  17          HD22      ASN  17  -1.491   4.300  12.767
  171    H    ASP  18           HN       ASP  18  -0.870   1.348  13.692
  172    HA   ASP  18           HA       ASP  18  -1.472  -1.442  14.137
  173   1HB   ASP  18          HB2       ASP  18  -1.357   0.854  15.746
  174   2HB   ASP  18          HB1       ASP  18  -3.052   0.377  15.741
  175    H    LYS  19           HN       LYS  19  -3.692   1.339  14.111
  176    HA   LYS  19           HA       LYS  19  -5.712  -0.359  12.853
  177   1HB   LYS  19          HB2       LYS  19  -5.758   2.068  14.556
  178   2HB   LYS  19          HB1       LYS  19  -7.037   1.931  13.356
  179   1HG   LYS  19          HG2       LYS  19  -7.686  -0.228  14.273
  180   2HG   LYS  19          HG1       LYS  19  -6.383  -0.125  15.458
  181   1HD   LYS  19          HD2       LYS  19  -7.444   1.503  16.685
  182   2HD   LYS  19          HD1       LYS  19  -8.358   2.101  15.299
  183   1HE   LYS  19          HE2       LYS  19  -8.872  -0.640  16.383
  184   2HE   LYS  19          HE1       LYS  19  -9.581   0.772  17.165
  185   1HZ   LYS  19          HZ1       LYS  19  -9.876   0.483  14.262
  186   2HZ   LYS  19          HZ2       LYS  19 -10.918   1.202  15.384
  187   3HZ   LYS  19          HZ3       LYS  19 -10.836  -0.483  15.267
  188   1HN   NH2  20          NH1       NH2  20  -7.126   0.678  11.209
  189   2HN   NH2  20          NH2       NH2  20  -6.380   1.668  10.006
  Start of MODEL   12
    1   1H    ALA   1          HT1       ALA   1   0.957  -2.127 -15.907
    2   2H    ALA   1          HT2       ALA   1  -0.353  -2.714 -16.847
    3   3H    ALA   1          HT3       ALA   1   0.530  -3.786 -15.840
    4    HA   ALA   1           HA       ALA   1  -1.672  -3.071 -15.014
    5   1HB   ALA   1          HB1       ALA   1   0.915  -2.985 -13.580
    6   2HB   ALA   1          HB2       ALA   1  -0.484  -4.032 -13.339
    7   3HB   ALA   1          HB3       ALA   1  -0.500  -2.381 -12.719
    8    H    LYS   2           HN       LYS   2  -2.411  -1.375 -13.312
    9    HA   LYS   2           HA       LYS   2  -2.076   1.252 -14.568
   10   1HB   LYS   2          HB2       LYS   2  -4.166   1.865 -13.457
   11   2HB   LYS   2          HB1       LYS   2  -4.369   0.404 -14.413
   12   1HG   LYS   2          HG2       LYS   2  -3.909  -0.826 -12.183
   13   2HG   LYS   2          HG1       LYS   2  -4.309   0.726 -11.445
   14   1HD   LYS   2          HD2       LYS   2  -6.157  -0.313 -13.518
   15   2HD   LYS   2          HD1       LYS   2  -6.145  -1.140 -11.959
   16   1HE   LYS   2          HE2       LYS   2  -6.457   1.097 -10.874
   17   2HE   LYS   2          HE1       LYS   2  -6.686   1.778 -12.484
   18   1HZ   LYS   2          HZ1       LYS   2  -8.713   0.823 -12.701
   19   2HZ   LYS   2          HZ2       LYS   2  -8.695   0.941 -11.014
   20   3HZ   LYS   2          HZ3       LYS   2  -8.323  -0.529 -11.762
   21    H    LYS   3           HN       LYS   3   0.093   0.726 -13.167
   22    HA   LYS   3           HA       LYS   3   1.385   1.175 -11.307
   23   1HB   LYS   3          HB2       LYS   3   1.484   3.536 -10.834
   24   2HB   LYS   3          HB1       LYS   3   1.206   3.318 -12.555
   25   1HG   LYS   3          HG2       LYS   3  -1.232   3.716 -12.110
   26   2HG   LYS   3          HG1       LYS   3  -0.779   4.172 -10.467
   27   1HD   LYS   3          HD2       LYS   3  -0.635   6.240 -11.352
   28   2HD   LYS   3          HD1       LYS   3   0.947   5.683 -11.902
   29   1HE   LYS   3          HE2       LYS   3   0.034   6.531 -13.847
   30   2HE   LYS   3          HE1       LYS   3  -0.367   4.818 -13.969
   31   1HZ   LYS   3          HZ1       LYS   3  -2.577   5.300 -13.150
   32   2HZ   LYS   3          HZ2       LYS   3  -2.253   6.239 -14.519
   33   3HZ   LYS   3          HZ3       LYS   3  -2.196   6.940 -12.981
   34    H    VAL   4           HN       VAL   4  -0.844  -0.273 -10.530
   35    HA   VAL   4           HA       VAL   4  -2.085   0.890  -8.232
   36    HB   VAL   4           HB       VAL   4  -1.654  -2.064  -8.699
   37   1HG1  VAL   4          HG11      VAL   4  -4.162  -1.092  -7.533
   38   2HG1  VAL   4          HG12      VAL   4  -2.728  -0.781  -6.557
   39   3HG1  VAL   4          HG13      VAL   4  -3.123  -2.429  -7.042
   40   1HG2  VAL   4          HG21      VAL   4  -3.857  -2.055  -9.836
   41   2HG2  VAL   4          HG22      VAL   4  -2.607  -1.188 -10.728
   42   3HG2  VAL   4          HG23      VAL   4  -3.821  -0.292  -9.816
   43    H    PHE   5           HN       PHE   5   0.949  -0.080  -9.003
   44    HA   PHE   5           HA       PHE   5   2.107  -1.322  -6.894
   45   1HB   PHE   5          HB2       PHE   5   3.147  -0.701  -9.083
   46   2HB   PHE   5          HB1       PHE   5   3.287   0.948  -8.494
   47    HD1  PHE   5           HD1      PHE   5   5.540   1.376  -8.226
   48    HD2  PHE   5           HD2      PHE   5   3.951  -2.304  -6.800
   49    HE1  PHE   5           HE1      PHE   5   7.718   0.831  -7.217
   50    HE2  PHE   5           HE2      PHE   5   6.124  -2.856  -5.788
   51    HZ   PHE   5           HZ       PHE   5   8.011  -1.287  -5.995
   52    H    LYS   6           HN       LYS   6   0.931   1.872  -7.043
   53    HA   LYS   6           HA       LYS   6   2.387   2.925  -4.831
   54   1HB   LYS   6          HB2       LYS   6   0.939   4.099  -6.756
   55   2HB   LYS   6          HB1       LYS   6  -0.294   4.030  -5.505
   56   1HG   LYS   6          HG2       LYS   6   0.608   5.730  -4.401
   57   2HG   LYS   6          HG1       LYS   6   2.217   5.009  -4.461
   58   1HD   LYS   6          HD2       LYS   6   2.315   5.815  -6.874
   59   2HD   LYS   6          HD1       LYS   6   0.887   6.780  -6.497
   60   1HE   LYS   6          HE2       LYS   6   2.066   8.277  -5.312
   61   2HE   LYS   6          HE1       LYS   6   3.051   7.034  -4.543
   62   1HZ   LYS   6          HZ1       LYS   6   4.620   7.140  -6.163
   63   2HZ   LYS   6          HZ2       LYS   6   4.066   8.736  -6.248
   64   3HZ   LYS   6          HZ3       LYS   6   3.528   7.594  -7.374
   65    H    ARG   7           HN       ARG   7  -0.788   1.431  -5.234
   66    HA   ARG   7           HA       ARG   7  -1.667   1.786  -2.580
   67   1HB   ARG   7          HB2       ARG   7  -2.392  -0.109  -4.788
   68   2HB   ARG   7          HB1       ARG   7  -3.049  -0.353  -3.176
   69   1HG   ARG   7          HG2       ARG   7  -4.431   1.422  -3.320
   70   2HG   ARG   7          HG1       ARG   7  -3.286   2.374  -4.267
   71   1HD   ARG   7          HD2       ARG   7  -5.119   1.903  -5.694
   72   2HD   ARG   7          HD1       ARG   7  -3.797   0.855  -6.207
   73    HE   ARG   7           HE       ARG   7  -5.318  -0.579  -4.380
   74   1HH1  ARG   7          HH11      ARG   7  -5.731   0.849  -7.537
   75   2HH1  ARG   7          HH12      ARG   7  -6.917  -0.308  -8.043
   76   1HH2  ARG   7          HH21      ARG   7  -6.875  -2.102  -5.043
   77   2HH2  ARG   7          HH22      ARG   7  -7.567  -1.983  -6.626
   78    H    LEU   8           HN       LEU   8   0.498  -0.482  -4.093
   79    HA   LEU   8           HA       LEU   8   0.490  -2.475  -2.099
   80   1HB   LEU   8          HB2       LEU   8   1.486  -2.568  -4.456
   81   2HB   LEU   8          HB1       LEU   8   2.872  -1.732  -3.783
   82    HG   LEU   8           HG       LEU   8   2.985  -3.669  -2.093
   83   1HD1  LEU   8          HD11      LEU   8   2.092  -5.776  -3.479
   84   2HD1  LEU   8          HD12      LEU   8   0.872  -4.588  -3.940
   85   3HD1  LEU   8          HD13      LEU   8   1.138  -4.963  -2.238
   86   1HD2  LEU   8          HD21      LEU   8   3.777  -3.609  -4.938
   87   2HD2  LEU   8          HD22      LEU   8   3.921  -5.159  -4.110
   88   3HD2  LEU   8          HD23      LEU   8   4.766  -3.744  -3.484
   89    H    GLU   9           HN       GLU   9   2.317   0.524  -2.490
   90    HA   GLU   9           HA       GLU   9   4.060   0.068  -0.286
   91   1HB   GLU   9          HB2       GLU   9   4.460   1.713  -2.153
   92   2HB   GLU   9          HB1       GLU   9   3.224   2.737  -1.436
   93   1HG   GLU   9          HG2       GLU   9   4.939   2.176   0.665
   94   2HG   GLU   9          HG1       GLU   9   6.006   2.407  -0.720
   95    H    LYS  10           HN       LYS  10   0.876   1.469  -0.652
   96    HA   LYS  10           HA       LYS  10   0.734   2.600   1.959
   97   1HB   LYS  10          HB2       LYS  10  -0.986   2.360  -0.348
   98   2HB   LYS  10          HB1       LYS  10  -1.880   1.966   1.115
   99   1HG   LYS  10          HG2       LYS  10  -0.329   4.297   1.614
  100   2HG   LYS  10          HG1       LYS  10  -1.197   4.514   0.093
  101   1HD   LYS  10          HD2       LYS  10  -3.295   3.909   1.219
  102   2HD   LYS  10          HD1       LYS  10  -2.417   3.721   2.739
  103   1HE   LYS  10          HE2       LYS  10  -1.710   6.109   2.530
  104   2HE   LYS  10          HE1       LYS  10  -2.784   6.249   1.140
  105   1HZ   LYS  10          HZ1       LYS  10  -3.708   5.389   3.822
  106   2HZ   LYS  10          HZ2       LYS  10  -4.660   5.834   2.497
  107   3HZ   LYS  10          HZ3       LYS  10  -3.739   7.000   3.305
  108    H    LEU  11           HN       LEU  11   0.156  -0.550   0.588
  109    HA   LEU  11           HA       LEU  11  -1.328  -1.639   2.740
  110   1HB   LEU  11          HB2       LEU  11  -0.637  -2.502   0.251
  111   2HB   LEU  11          HB1       LEU  11   0.439  -3.464   1.245
  112    HG   LEU  11           HG       LEU  11  -2.455  -3.375   1.963
  113   1HD1  LEU  11          HD11      LEU  11  -1.454  -5.334  -0.067
  114   2HD1  LEU  11          HD12      LEU  11  -2.133  -3.783  -0.560
  115   3HD1  LEU  11          HD13      LEU  11  -3.114  -4.922   0.362
  116   1HD2  LEU  11          HD21      LEU  11  -0.280  -5.458   2.108
  117   2HD2  LEU  11          HD22      LEU  11  -1.952  -5.715   2.607
  118   3HD2  LEU  11          HD23      LEU  11  -0.954  -4.528   3.447
  119    H    PHE  12           HN       PHE  12   2.098  -1.245   2.089
  120    HA   PHE  12           HA       PHE  12   3.063  -2.951   4.125
  121   1HB   PHE  12          HB2       PHE  12   4.373  -1.908   2.187
  122   2HB   PHE  12          HB1       PHE  12   4.450  -0.447   3.167
  123    HD1  PHE  12           HD1      PHE  12   5.487  -0.645   5.495
  124    HD2  PHE  12           HD2      PHE  12   5.933  -3.603   2.469
  125    HE1  PHE  12           HE1      PHE  12   7.471  -1.526   6.654
  126    HE2  PHE  12           HE2      PHE  12   7.917  -4.490   3.623
  127    HZ   PHE  12           HZ       PHE  12   8.688  -3.451   5.718
  128    H    SER  13           HN       SER  13   2.038   0.413   4.086
  129    HA   SER  13           HA       SER  13   2.927   1.009   6.720
  130   1HB   SER  13          HB2       SER  13   0.803   2.343   5.025
  131   2HB   SER  13          HB1       SER  13   1.451   2.999   6.528
  132    HG   SER  13           HG       SER  13   3.565   2.817   5.413
  133    H    LYS  14           HN       LYS  14   0.334  -0.770   5.476
  134    HA   LYS  14           HA       LYS  14  -1.382  -0.437   7.774
  135   1HB   LYS  14          HB2       LYS  14  -2.290  -0.819   5.480
  136   2HB   LYS  14          HB1       LYS  14  -1.600  -2.436   5.520
  137   1HG   LYS  14          HG2       LYS  14  -3.042  -3.079   7.316
  138   2HG   LYS  14          HG1       LYS  14  -3.629  -1.424   7.498
  139   1HD   LYS  14          HD2       LYS  14  -3.917  -2.691   4.831
  140   2HD   LYS  14          HD1       LYS  14  -4.966  -3.275   6.124
  141   1HE   LYS  14          HE2       LYS  14  -5.932  -1.155   6.442
  142   2HE   LYS  14          HE1       LYS  14  -4.661  -0.348   5.524
  143   1HZ   LYS  14          HZ1       LYS  14  -5.538  -1.769   3.586
  144   2HZ   LYS  14          HZ2       LYS  14  -6.420  -0.403   4.051
  145   3HZ   LYS  14          HZ3       LYS  14  -6.932  -1.942   4.530
  146    H    ILE  15           HN       ILE  15   1.247  -2.370   6.864
  147    HA   ILE  15           HA       ILE  15   0.608  -4.587   8.615
  148    HB   ILE  15           HB       ILE  15   3.236  -4.012   7.244
  149   1HG1  ILE  15          HG12      ILE  15   1.112  -5.880   6.213
  150   2HG1  ILE  15          HG11      ILE  15   1.135  -4.181   5.751
  151   1HG2  ILE  15          HG21      ILE  15   2.147  -6.242   8.838
  152   2HG2  ILE  15          HG22      ILE  15   3.810  -5.690   8.640
  153   3HG2  ILE  15          HG23      ILE  15   3.058  -6.688   7.395
  154   1HD1  ILE  15          HD11      ILE  15   3.600  -4.676   5.094
  155   2HD1  ILE  15          HD12      ILE  15   2.284  -5.165   4.027
  156   3HD1  ILE  15          HD13      ILE  15   3.057  -6.353   5.076
  157    H    GLN  16           HN       GLN  16   2.490  -1.644   8.679
  158    HA   GLN  16           HA       GLN  16   4.074  -2.278  10.948
  159   1HB   GLN  16          HB2       GLN  16   3.776  -0.090   9.155
  160   2HB   GLN  16          HB1       GLN  16   3.617   0.539  10.789
  161   1HG   GLN  16          HG2       GLN  16   5.876  -1.282  10.071
  162   2HG   GLN  16          HG1       GLN  16   5.947   0.440   9.697
  163   1HE2  GLN  16          HE21      GLN  16   6.571   1.800  11.236
  164   2HE2  GLN  16          HE22      GLN  16   6.789   1.396  12.902
  165    H    ASN  17           HN       ASN  17   1.346   0.012  10.687
  166    HA   ASN  17           HA       ASN  17   0.872  -0.294  13.554
  167   1HB   ASN  17          HB2       ASN  17   0.827   1.918  11.922
  168   2HB   ASN  17          HB1       ASN  17  -0.885   1.535  12.076
  169   1HD2  ASN  17          HD21      ASN  17   1.755   3.031  13.491
  170   2HD2  ASN  17          HD22      ASN  17   1.080   3.322  15.054
  171    H    ASP  18           HN       ASP  18  -1.628  -0.070  14.071
  172    HA   ASP  18           HA       ASP  18  -2.869  -2.386  12.805
  173   1HB   ASP  18          HB2       ASP  18  -2.684  -1.718  15.413
  174   2HB   ASP  18          HB1       ASP  18  -4.245  -0.998  15.032
  175    H    LYS  19           HN       LYS  19  -3.995   0.824  13.888
  176    HA   LYS  19           HA       LYS  19  -6.205   0.725  12.025
  177   1HB   LYS  19          HB2       LYS  19  -5.648   2.076  14.449
  178   2HB   LYS  19          HB1       LYS  19  -5.871   3.314  13.220
  179   1HG   LYS  19          HG2       LYS  19  -8.058   3.087  13.437
  180   2HG   LYS  19          HG1       LYS  19  -7.925   1.436  12.830
  181   1HD   LYS  19          HD2       LYS  19  -8.085   0.518  14.902
  182   2HD   LYS  19          HD1       LYS  19  -7.243   1.861  15.678
  183   1HE   LYS  19          HE2       LYS  19  -9.291   3.247  15.325
  184   2HE   LYS  19          HE1       LYS  19 -10.110   1.795  14.751
  185   1HZ   LYS  19          HZ1       LYS  19 -10.275   0.961  16.822
  186   2HZ   LYS  19          HZ2       LYS  19 -10.150   2.584  17.280
  187   3HZ   LYS  19          HZ3       LYS  19  -8.786   1.585  17.331
  188   1HN   NH2  20          NH1       NH2  20  -3.301   2.690  12.488
  189   2HN   NH2  20          NH2       NH2  20  -3.262   3.342  10.889
  Start of MODEL   13
    1   1H    ALA   1          HT1       ALA   1  -1.354  -0.274 -18.260
    2   2H    ALA   1          HT2       ALA   1   0.087  -1.069 -17.773
    3   3H    ALA   1          HT3       ALA   1   0.164   0.282 -18.829
    4    HA   ALA   1           HA       ALA   1   0.759   1.164 -16.850
    5   1HB   ALA   1          HB1       ALA   1  -2.127   1.545 -17.479
    6   2HB   ALA   1          HB2       ALA   1  -0.785   2.683 -17.599
    7   3HB   ALA   1          HB3       ALA   1  -1.465   2.284 -16.021
    8    H    LYS   2           HN       LYS   2   1.359  -0.791 -15.647
    9    HA   LYS   2           HA       LYS   2  -0.619  -1.636 -13.656
   10   1HB   LYS   2          HB2       LYS   2   0.981  -3.181 -15.135
   11   2HB   LYS   2          HB1       LYS   2   2.075  -2.890 -13.789
   12   1HG   LYS   2          HG2       LYS   2  -0.706  -3.755 -13.192
   13   2HG   LYS   2          HG1       LYS   2   0.442  -4.946 -13.809
   14   1HD   LYS   2          HD2       LYS   2   2.017  -4.084 -11.974
   15   2HD   LYS   2          HD1       LYS   2   0.577  -3.340 -11.276
   16   1HE   LYS   2          HE2       LYS   2   0.938  -6.274 -11.880
   17   2HE   LYS   2          HE1       LYS   2   1.027  -5.530 -10.283
   18   1HZ   LYS   2          HZ1       LYS   2  -1.359  -4.683 -11.086
   19   2HZ   LYS   2          HZ2       LYS   2  -1.128  -6.121 -10.225
   20   3HZ   LYS   2          HZ3       LYS   2  -1.296  -6.161 -11.908
   21    H    LYS   3           HN       LYS   3   0.055   0.846 -13.092
   22    HA   LYS   3           HA       LYS   3   2.274   0.782 -11.163
   23   1HB   LYS   3          HB2       LYS   3   1.842   3.284 -11.065
   24   2HB   LYS   3          HB1       LYS   3   2.441   2.667 -12.598
   25   1HG   LYS   3          HG2       LYS   3   0.639   3.368 -13.694
   26   2HG   LYS   3          HG1       LYS   3  -0.456   2.686 -12.490
   27   1HD   LYS   3          HD2       LYS   3  -0.160   4.636 -11.077
   28   2HD   LYS   3          HD1       LYS   3   1.016   5.306 -12.209
   29   1HE   LYS   3          HE2       LYS   3  -0.575   6.035 -13.623
   30   2HE   LYS   3          HE1       LYS   3  -1.574   4.600 -13.396
   31   1HZ   LYS   3          HZ1       LYS   3  -2.886   6.096 -12.359
   32   2HZ   LYS   3          HZ2       LYS   3  -1.611   7.134 -11.962
   33   3HZ   LYS   3          HZ3       LYS   3  -1.888   5.745 -11.038
   34    H    VAL   4           HN       VAL   4  -0.032  -0.658 -10.548
   35    HA   VAL   4           HA       VAL   4  -1.637   0.829  -8.688
   36    HB   VAL   4           HB       VAL   4  -2.517  -1.240  -9.684
   37   1HG1  VAL   4          HG11      VAL   4  -0.037  -2.266  -9.362
   38   2HG1  VAL   4          HG12      VAL   4  -1.479  -3.237  -9.656
   39   3HG1  VAL   4          HG13      VAL   4  -0.881  -3.022  -8.011
   40   1HG2  VAL   4          HG21      VAL   4  -2.127  -1.633  -6.722
   41   2HG2  VAL   4          HG22      VAL   4  -3.474  -2.192  -7.714
   42   3HG2  VAL   4          HG23      VAL   4  -3.253  -0.467  -7.420
   43    H    PHE   5           HN       PHE   5   1.472  -0.107  -8.814
   44    HA   PHE   5           HA       PHE   5   2.306  -1.142  -6.470
   45   1HB   PHE   5          HB2       PHE   5   3.723  -0.616  -8.421
   46   2HB   PHE   5          HB1       PHE   5   3.589   1.094  -8.040
   47    HD1  PHE   5           HD1      PHE   5   4.856  -2.138  -6.742
   48    HD2  PHE   5           HD2      PHE   5   5.054   2.107  -6.519
   49    HE1  PHE   5           HE1      PHE   5   6.833  -2.311  -5.287
   50    HE2  PHE   5           HE2      PHE   5   7.032   1.943  -5.065
   51    HZ   PHE   5           HZ       PHE   5   7.924  -0.269  -4.447
   52    H    LYS   6           HN       LYS   6   1.003   1.965  -6.994
   53    HA   LYS   6           HA       LYS   6   1.977   3.193  -4.612
   54   1HB   LYS   6          HB2       LYS   6   0.753   4.141  -6.855
   55   2HB   LYS   6          HB1       LYS   6  -0.583   4.172  -5.712
   56   1HG   LYS   6          HG2       LYS   6   1.101   5.387  -4.161
   57   2HG   LYS   6          HG1       LYS   6   1.985   5.691  -5.658
   58   1HD   LYS   6          HD2       LYS   6   0.124   6.850  -6.606
   59   2HD   LYS   6          HD1       LYS   6  -0.927   6.364  -5.275
   60   1HE   LYS   6          HE2       LYS   6  -0.392   8.543  -4.712
   61   2HE   LYS   6          HE1       LYS   6   0.790   7.613  -3.791
   62   1HZ   LYS   6          HZ1       LYS   6   2.489   8.366  -5.040
   63   2HZ   LYS   6          HZ2       LYS   6   1.442   9.659  -5.340
   64   3HZ   LYS   6          HZ3       LYS   6   1.588   8.410  -6.472
   65    H    ARG   7           HN       ARG   7  -1.022   1.550  -5.519
   66    HA   ARG   7           HA       ARG   7  -2.362   1.929  -3.070
   67   1HB   ARG   7          HB2       ARG   7  -2.612  -0.299  -5.102
   68   2HB   ARG   7          HB1       ARG   7  -3.723  -0.042  -3.763
   69   1HG   ARG   7          HG2       ARG   7  -3.206   1.885  -6.019
   70   2HG   ARG   7          HG1       ARG   7  -4.619   0.841  -5.845
   71   1HD   ARG   7          HD2       ARG   7  -3.791   3.020  -3.930
   72   2HD   ARG   7          HD1       ARG   7  -5.084   3.137  -5.123
   73    HE   ARG   7           HE       ARG   7  -5.400   0.932  -3.314
   74   1HH1  ARG   7          HH11      ARG   7  -5.971   4.343  -3.770
   75   2HH1  ARG   7          HH12      ARG   7  -7.293   4.399  -2.654
   76   1HH2  ARG   7          HH21      ARG   7  -7.137   1.003  -1.845
   77   2HH2  ARG   7          HH22      ARG   7  -7.955   2.503  -1.560
   78    H    LEU   8           HN       LEU   8   0.085  -0.311  -4.139
   79    HA   LEU   8           HA       LEU   8  -0.156  -2.247  -2.118
   80   1HB   LEU   8          HB2       LEU   8   1.192  -2.634  -4.098
   81   2HB   LEU   8          HB1       LEU   8   2.266  -1.318  -3.663
   82    HG   LEU   8           HG       LEU   8   2.757  -2.690  -1.533
   83   1HD1  LEU   8          HD11      LEU   8   2.169  -5.108  -3.110
   84   2HD1  LEU   8          HD12      LEU   8   0.778  -4.287  -2.402
   85   3HD1  LEU   8          HD13      LEU   8   2.096  -4.839  -1.369
   86   1HD2  LEU   8          HD21      LEU   8   3.821  -4.156  -3.860
   87   2HD2  LEU   8          HD22      LEU   8   4.667  -3.372  -2.525
   88   3HD2  LEU   8          HD23      LEU   8   4.055  -2.408  -3.869
   89    H    GLU   9           HN       GLU   9   1.365   0.911  -2.218
   90    HA   GLU   9           HA       GLU   9   2.924   0.697   0.112
   91   1HB   GLU   9          HB2       GLU   9   1.582   3.148  -1.049
   92   2HB   GLU   9          HB1       GLU   9   2.871   3.163   0.146
   93   1HG   GLU   9          HG2       GLU   9   4.136   1.766  -1.685
   94   2HG   GLU   9          HG1       GLU   9   2.980   2.555  -2.759
   95    H    LYS  10           HN       LYS  10  -0.444   1.687  -0.382
   96    HA   LYS  10           HA       LYS  10  -0.931   2.357   2.334
   97   1HB   LYS  10          HB2       LYS  10  -2.321   2.775   0.081
   98   2HB   LYS  10          HB1       LYS  10  -3.158   1.334   0.643
   99   1HG   LYS  10          HG2       LYS  10  -3.014   2.909   2.900
  100   2HG   LYS  10          HG1       LYS  10  -3.304   4.069   1.602
  101   1HD   LYS  10          HD2       LYS  10  -4.945   1.645   1.445
  102   2HD   LYS  10          HD1       LYS  10  -5.238   2.627   2.881
  103   1HE   LYS  10          HE2       LYS  10  -5.723   4.552   1.548
  104   2HE   LYS  10          HE1       LYS  10  -5.209   3.728   0.077
  105   1HZ   LYS  10          HZ1       LYS  10  -7.520   3.619   0.041
  106   2HZ   LYS  10          HZ2       LYS  10  -7.641   3.259   1.688
  107   3HZ   LYS  10          HZ3       LYS  10  -7.065   2.092   0.609
  108    H    LEU  11           HN       LEU  11  -1.097  -0.592   0.462
  109    HA   LEU  11           HA       LEU  11  -2.454  -2.167   2.382
  110   1HB   LEU  11          HB2       LEU  11  -1.341  -2.533  -0.197
  111   2HB   LEU  11          HB1       LEU  11  -0.610  -3.740   0.843
  112    HG   LEU  11           HG       LEU  11  -3.036  -4.281   1.562
  113   1HD1  LEU  11          HD11      LEU  11  -4.457  -2.741   0.705
  114   2HD1  LEU  11          HD12      LEU  11  -4.449  -3.855  -0.662
  115   3HD1  LEU  11          HD13      LEU  11  -3.435  -2.413  -0.695
  116   1HD2  LEU  11          HD21      LEU  11  -2.063  -4.932  -1.218
  117   2HD2  LEU  11          HD22      LEU  11  -3.280  -5.830  -0.311
  118   3HD2  LEU  11          HD23      LEU  11  -1.613  -5.778   0.263
  119    H    PHE  12           HN       PHE  12   0.884  -1.232   1.917
  120    HA   PHE  12           HA       PHE  12   2.074  -3.119   3.642
  121   1HB   PHE  12          HB2       PHE  12   3.229  -1.552   1.982
  122   2HB   PHE  12          HB1       PHE  12   3.070  -0.303   3.212
  123    HD1  PHE  12           HD1      PHE  12   4.132  -3.885   3.143
  124    HD2  PHE  12           HD2      PHE  12   4.998   0.096   4.373
  125    HE1  PHE  12           HE1      PHE  12   6.212  -4.669   4.196
  126    HE2  PHE  12           HE2      PHE  12   7.082  -0.681   5.429
  127    HZ   PHE  12           HZ       PHE  12   7.691  -3.065   5.340
  128    H    SER  13           HN       SER  13   0.524  -0.011   4.183
  129    HA   SER  13           HA       SER  13   1.304   0.231   6.905
  130   1HB   SER  13          HB2       SER  13  -1.226   1.475   5.916
  131   2HB   SER  13          HB1       SER  13   0.023   2.156   6.957
  132    HG   SER  13           HG       SER  13  -0.157   2.104   4.199
  133    H    LYS  14           HN       LYS  14  -0.952  -1.708   5.301
  134    HA   LYS  14           HA       LYS  14  -2.693  -2.065   7.580
  135   1HB   LYS  14          HB2       LYS  14  -3.013  -2.410   4.854
  136   2HB   LYS  14          HB1       LYS  14  -2.919  -4.058   5.459
  137   1HG   LYS  14          HG2       LYS  14  -5.122  -3.817   5.767
  138   2HG   LYS  14          HG1       LYS  14  -4.641  -2.969   7.238
  139   1HD   LYS  14          HD2       LYS  14  -4.906  -0.852   6.220
  140   2HD   LYS  14          HD1       LYS  14  -5.008  -1.559   4.606
  141   1HE   LYS  14          HE2       LYS  14  -7.164  -2.384   4.976
  142   2HE   LYS  14          HE1       LYS  14  -7.020  -2.226   6.726
  143   1HZ   LYS  14          HZ1       LYS  14  -6.871   0.190   5.066
  144   2HZ   LYS  14          HZ2       LYS  14  -7.431   0.009   6.652
  145   3HZ   LYS  14          HZ3       LYS  14  -8.386  -0.508   5.355
  146    H    ILE  15           HN       ILE  15   0.185  -3.386   6.363
  147    HA   ILE  15           HA       ILE  15  -0.075  -5.938   7.708
  148    HB   ILE  15           HB       ILE  15   2.399  -4.762   6.439
  149   1HG1  ILE  15          HG12      ILE  15   0.552  -6.725   5.103
  150   2HG1  ILE  15          HG11      ILE  15   0.281  -4.991   4.962
  151   1HG2  ILE  15          HG21      ILE  15   2.609  -7.420   6.126
  152   2HG2  ILE  15          HG22      ILE  15   1.687  -7.365   7.628
  153   3HG2  ILE  15          HG23      ILE  15   3.248  -6.551   7.521
  154   1HD1  ILE  15          HD11      ILE  15   2.874  -5.101   4.293
  155   2HD1  ILE  15          HD12      ILE  15   1.555  -5.241   3.130
  156   3HD1  ILE  15          HD13      ILE  15   2.347  -6.692   3.744
  157    H    GLN  16           HN       GLN  16   1.379  -2.808   8.252
  158    HA   GLN  16           HA       GLN  16   1.985  -3.599  10.993
  159   1HB   GLN  16          HB2       GLN  16   3.992  -3.020   8.943
  160   2HB   GLN  16          HB1       GLN  16   4.173  -2.030  10.385
  161   1HG   GLN  16          HG2       GLN  16   3.712  -4.853  10.957
  162   2HG   GLN  16          HG1       GLN  16   5.183  -4.542  10.035
  163   1HE2  GLN  16          HE21      GLN  16   3.894  -4.755  13.071
  164   2HE2  GLN  16          HE22      GLN  16   5.106  -3.896  13.953
  165    H    ASN  17           HN       ASN  17  -0.003  -2.243  11.108
  166    HA   ASN  17           HA       ASN  17   0.061   0.517  10.503
  167   1HB   ASN  17          HB2       ASN  17  -1.643  -1.000  12.491
  168   2HB   ASN  17          HB1       ASN  17  -1.930   0.661  11.980
  169   1HD2  ASN  17          HD21      ASN  17  -2.072  -2.681  11.087
  170   2HD2  ASN  17          HD22      ASN  17  -2.995  -2.470   9.642
  171    H    ASP  18           HN       ASP  18  -0.331   2.178  12.330
  172    HA   ASP  18           HA       ASP  18   1.984   2.038  14.081
  173   1HB   ASP  18          HB2       ASP  18   1.050   4.079  12.628
  174   2HB   ASP  18          HB1       ASP  18   0.161   4.390  14.116
  175    H    LYS  19           HN       LYS  19  -1.448   2.934  14.487
  176    HA   LYS  19           HA       LYS  19  -1.245   2.217  17.320
  177   1HB   LYS  19          HB2       LYS  19  -2.196   4.449  16.554
  178   2HB   LYS  19          HB1       LYS  19  -3.579   3.547  15.949
  179   1HG   LYS  19          HG2       LYS  19  -2.834   3.010  18.745
  180   2HG   LYS  19          HG1       LYS  19  -3.445   4.630  18.405
  181   1HD   LYS  19          HD2       LYS  19  -5.429   3.636  17.338
  182   2HD   LYS  19          HD1       LYS  19  -4.821   2.028  17.737
  183   1HE   LYS  19          HE2       LYS  19  -6.187   2.334  19.527
  184   2HE   LYS  19          HE1       LYS  19  -4.731   3.092  20.169
  185   1HZ   LYS  19          HZ1       LYS  19  -7.005   4.315  20.283
  186   2HZ   LYS  19          HZ2       LYS  19  -6.658   4.734  18.682
  187   3HZ   LYS  19          HZ3       LYS  19  -5.598   5.182  19.920
  188   1HN   NH2  20          NH1       NH2  20  -3.272   1.614  14.484
  189   2HN   NH2  20          NH2       NH2  20  -3.948   0.129  15.054
  Start of MODEL   14
    1   1H    ALA   1          HT1       ALA   1  -4.681   0.242 -14.616
    2   2H    ALA   1          HT2       ALA   1  -4.823   1.944 -14.781
    3   3H    ALA   1          HT3       ALA   1  -4.100   1.273 -13.376
    4    HA   ALA   1           HA       ALA   1  -3.044   0.903 -16.090
    5   1HB   ALA   1          HB1       ALA   1  -1.871   2.827 -15.986
    6   2HB   ALA   1          HB2       ALA   1  -1.687   2.748 -14.234
    7   3HB   ALA   1          HB3       ALA   1  -3.197   3.327 -14.937
    8    H    LYS   2           HN       LYS   2  -0.421   1.040 -15.426
    9    HA   LYS   2           HA       LYS   2  -0.103  -1.361 -13.787
   10   1HB   LYS   2          HB2       LYS   2   0.846  -1.270 -16.101
   11   2HB   LYS   2          HB1       LYS   2   1.935  -0.001 -15.557
   12   1HG   LYS   2          HG2       LYS   2   2.070  -2.298 -13.817
   13   2HG   LYS   2          HG1       LYS   2   2.381  -2.745 -15.496
   14   1HD   LYS   2          HD2       LYS   2   3.724  -0.287 -14.622
   15   2HD   LYS   2          HD1       LYS   2   4.243  -1.745 -13.773
   16   1HE   LYS   2          HE2       LYS   2   4.367  -2.751 -16.180
   17   2HE   LYS   2          HE1       LYS   2   4.444  -1.060 -16.674
   18   1HZ   LYS   2          HZ1       LYS   2   6.265  -1.096 -14.734
   19   2HZ   LYS   2          HZ2       LYS   2   6.634  -1.379 -16.361
   20   3HZ   LYS   2          HZ3       LYS   2   6.422  -2.682 -15.304
   21    H    LYS   3           HN       LYS   3  -0.669   0.770 -12.227
   22    HA   LYS   3           HA       LYS   3   1.886   1.204 -10.844
   23   1HB   LYS   3          HB2       LYS   3   1.303   3.542 -10.383
   24   2HB   LYS   3          HB1       LYS   3   1.444   3.257 -12.113
   25   1HG   LYS   3          HG2       LYS   3  -1.105   2.946 -12.062
   26   2HG   LYS   3          HG1       LYS   3  -1.020   3.725 -10.480
   27   1HD   LYS   3          HD2       LYS   3   0.171   5.629 -11.545
   28   2HD   LYS   3          HD1       LYS   3  -0.088   4.863 -13.114
   29   1HE   LYS   3          HE2       LYS   3  -2.316   5.586 -11.221
   30   2HE   LYS   3          HE1       LYS   3  -1.744   6.651 -12.503
   31   1HZ   LYS   3          HZ1       LYS   3  -2.364   5.030 -14.136
   32   2HZ   LYS   3          HZ2       LYS   3  -3.698   5.318 -13.138
   33   3HZ   LYS   3          HZ3       LYS   3  -2.788   3.906 -12.944
   34    H    VAL   4           HN       VAL   4  -0.096  -0.678 -10.306
   35    HA   VAL   4           HA       VAL   4  -1.744   0.211  -8.137
   36    HB   VAL   4           HB       VAL   4  -2.322  -1.838  -9.370
   37   1HG1  VAL   4          HG11      VAL   4  -0.907  -3.522  -9.770
   38   2HG1  VAL   4          HG12      VAL   4  -0.323  -3.548  -8.106
   39   3HG1  VAL   4          HG13      VAL   4   0.358  -2.404  -9.262
   40   1HG2  VAL   4          HG21      VAL   4  -3.245  -2.831  -7.569
   41   2HG2  VAL   4          HG22      VAL   4  -2.564  -1.449  -6.710
   42   3HG2  VAL   4          HG23      VAL   4  -1.700  -2.987  -6.731
   43    H    PHE   5           HN       PHE   5   1.464  -0.167  -8.616
   44    HA   PHE   5           HA       PHE   5   2.630  -1.284  -6.441
   45   1HB   PHE   5          HB2       PHE   5   3.748  -0.379  -8.482
   46   2HB   PHE   5          HB1       PHE   5   3.500   1.241  -7.849
   47    HD1  PHE   5           HD1      PHE   5   4.956   2.160  -6.228
   48    HD2  PHE   5           HD2      PHE   5   5.253  -1.957  -7.265
   49    HE1  PHE   5           HE1      PHE   5   7.087   2.010  -5.007
   50    HE2  PHE   5           HE2      PHE   5   7.383  -2.115  -6.045
   51    HZ   PHE   5           HZ       PHE   5   8.303  -0.130  -4.914
   52    H    LYS   6           HN       LYS   6   0.878   1.630  -6.612
   53    HA   LYS   6           HA       LYS   6   1.879   2.850  -4.244
   54   1HB   LYS   6          HB2       LYS   6   0.678   4.085  -6.054
   55   2HB   LYS   6          HB1       LYS   6  -0.807   3.275  -5.573
   56   1HG   LYS   6          HG2       LYS   6  -0.844   5.429  -4.600
   57   2HG   LYS   6          HG1       LYS   6  -0.508   4.286  -3.297
   58   1HD   LYS   6          HD2       LYS   6   1.976   4.804  -3.804
   59   2HD   LYS   6          HD1       LYS   6   1.344   6.226  -4.636
   60   1HE   LYS   6          HE2       LYS   6   1.518   7.183  -2.606
   61   2HE   LYS   6          HE1       LYS   6  -0.018   6.369  -2.307
   62   1HZ   LYS   6          HZ1       LYS   6   1.106   5.575  -0.542
   63   2HZ   LYS   6          HZ2       LYS   6   2.627   5.787  -1.253
   64   3HZ   LYS   6          HZ3       LYS   6   1.686   4.441  -1.657
   65    H    ARG   7           HN       ARG   7  -0.914   0.801  -4.981
   66    HA   ARG   7           HA       ARG   7  -2.042   0.834  -2.400
   67   1HB   ARG   7          HB2       ARG   7  -2.366  -0.736  -4.857
   68   2HB   ARG   7          HB1       ARG   7  -2.685  -1.652  -3.390
   69   1HG   ARG   7          HG2       ARG   7  -4.489  -0.348  -2.803
   70   2HG   ARG   7          HG1       ARG   7  -3.930   1.035  -3.746
   71   1HD   ARG   7          HD2       ARG   7  -5.147   0.389  -5.487
   72   2HD   ARG   7          HD1       ARG   7  -4.365  -1.190  -5.491
   73    HE   ARG   7           HE       ARG   7  -6.292  -2.040  -4.641
   74   1HH1  ARG   7          HH11      ARG   7  -6.110   1.323  -3.723
   75   2HH1  ARG   7          HH12      ARG   7  -7.649   1.318  -2.929
   76   1HH2  ARG   7          HH21      ARG   7  -8.316  -2.047  -3.597
   77   2HH2  ARG   7          HH22      ARG   7  -8.901  -0.594  -2.857
   78    H    LEU   8           HN       LEU   8   0.559  -0.999  -3.851
   79    HA   LEU   8           HA       LEU   8   0.789  -3.005  -1.885
   80   1HB   LEU   8          HB2       LEU   8   2.150  -2.248  -4.237
   81   2HB   LEU   8          HB1       LEU   8   3.356  -2.273  -2.965
   82    HG   LEU   8           HG       LEU   8   2.763  -4.592  -2.432
   83   1HD1  LEU   8          HD11      LEU   8   1.035  -5.734  -3.342
   84   2HD1  LEU   8          HD12      LEU   8   1.140  -4.885  -4.885
   85   3HD1  LEU   8          HD13      LEU   8   0.363  -4.111  -3.504
   86   1HD2  LEU   8          HD21      LEU   8   3.588  -5.620  -4.533
   87   2HD2  LEU   8          HD22      LEU   8   4.546  -4.236  -4.007
   88   3HD2  LEU   8          HD23      LEU   8   3.395  -4.060  -5.331
   89    H    GLU   9           HN       GLU   9   2.097   0.260  -2.145
   90    HA   GLU   9           HA       GLU   9   3.803   0.068   0.123
   91   1HB   GLU   9          HB2       GLU   9   2.582   2.464  -1.262
   92   2HB   GLU   9          HB1       GLU   9   3.771   2.577   0.028
   93   1HG   GLU   9          HG2       GLU   9   5.409   1.439  -1.328
   94   2HG   GLU   9          HG1       GLU   9   4.218   1.184  -2.602
   95    H    LYS  10           HN       LYS  10   0.431   0.834  -0.355
   96    HA   LYS  10           HA       LYS  10  -0.030   1.912   2.240
   97   1HB   LYS  10          HB2       LYS  10  -1.873   0.739   0.157
   98   2HB   LYS  10          HB1       LYS  10  -2.453   1.381   1.687
   99   1HG   LYS  10          HG2       LYS  10  -0.862   3.409   0.715
  100   2HG   LYS  10          HG1       LYS  10  -1.643   2.768  -0.732
  101   1HD   LYS  10          HD2       LYS  10  -3.682   3.507  -0.112
  102   2HD   LYS  10          HD1       LYS  10  -3.414   3.125   1.590
  103   1HE   LYS  10          HE2       LYS  10  -1.674   5.180   1.222
  104   2HE   LYS  10          HE1       LYS  10  -2.975   5.629   0.119
  105   1HZ   LYS  10          HZ1       LYS  10  -3.562   4.825   2.897
  106   2HZ   LYS  10          HZ2       LYS  10  -4.497   5.760   1.843
  107   3HZ   LYS  10          HZ3       LYS  10  -3.100   6.413   2.538
  108    H    LEU  11           HN       LEU  11  -0.033  -1.300   0.846
  109    HA   LEU  11           HA       LEU  11  -1.299  -2.622   3.012
  110   1HB   LEU  11          HB2       LEU  11  -0.337  -3.335   0.492
  111   2HB   LEU  11          HB1       LEU  11   0.653  -4.255   1.609
  112    HG   LEU  11           HG       LEU  11  -1.251  -5.575   0.911
  113   1HD1  LEU  11          HD11      LEU  11  -1.043  -4.674   3.734
  114   2HD1  LEU  11          HD12      LEU  11  -0.731  -6.258   3.024
  115   3HD1  LEU  11          HD13      LEU  11  -2.390  -5.720   3.285
  116   1HD2  LEU  11          HD21      LEU  11  -2.696  -3.546   0.452
  117   2HD2  LEU  11          HD22      LEU  11  -3.053  -3.530   2.179
  118   3HD2  LEU  11          HD23      LEU  11  -3.501  -4.926   1.199
  119    H    PHE  12           HN       PHE  12   2.005  -1.666   2.333
  120    HA   PHE  12           HA       PHE  12   3.230  -3.204   4.378
  121   1HB   PHE  12          HB2       PHE  12   4.357  -2.031   2.391
  122   2HB   PHE  12          HB1       PHE  12   4.258  -0.560   3.351
  123    HD1  PHE  12           HD1      PHE  12   5.745  -0.164   5.155
  124    HD2  PHE  12           HD2      PHE  12   5.731  -3.930   3.175
  125    HE1  PHE  12           HE1      PHE  12   7.843  -0.764   6.291
  126    HE2  PHE  12           HE2      PHE  12   7.829  -4.538   4.307
  127    HZ   PHE  12           HZ       PHE  12   8.888  -2.954   5.867
  128    H    SER  13           HN       SER  13   1.670  -0.073   4.275
  129    HA   SER  13           HA       SER  13   2.519   0.770   6.855
  130   1HB   SER  13          HB2       SER  13   1.014   1.878   4.716
  131   2HB   SER  13          HB1       SER  13   0.006   1.960   6.160
  132    HG   SER  13           HG       SER  13   1.981   2.869   7.181
  133    H    LYS  14           HN       LYS  14   0.199  -1.434   5.729
  134    HA   LYS  14           HA       LYS  14  -1.487  -1.330   8.059
  135   1HB   LYS  14          HB2       LYS  14  -1.378  -3.038   5.603
  136   2HB   LYS  14          HB1       LYS  14  -2.324  -3.568   6.988
  137   1HG   LYS  14          HG2       LYS  14  -3.248  -1.069   6.771
  138   2HG   LYS  14          HG1       LYS  14  -2.808  -1.362   5.087
  139   1HD   LYS  14          HD2       LYS  14  -4.868  -2.267   4.967
  140   2HD   LYS  14          HD1       LYS  14  -4.081  -3.675   5.684
  141   1HE   LYS  14          HE2       LYS  14  -5.085  -3.381   7.687
  142   2HE   LYS  14          HE1       LYS  14  -5.020  -1.623   7.580
  143   1HZ   LYS  14          HZ1       LYS  14  -6.955  -3.391   6.184
  144   2HZ   LYS  14          HZ2       LYS  14  -6.873  -1.711   6.004
  145   3HZ   LYS  14          HZ3       LYS  14  -7.291  -2.381   7.500
  146    H    ILE  15           HN       ILE  15   1.427  -2.819   7.163
  147    HA   ILE  15           HA       ILE  15   1.231  -5.037   9.002
  148    HB   ILE  15           HB       ILE  15   3.711  -4.003   7.630
  149   1HG1  ILE  15          HG12      ILE  15   1.839  -6.168   6.655
  150   2HG1  ILE  15          HG11      ILE  15   1.836  -4.519   6.038
  151   1HG2  ILE  15          HG21      ILE  15   3.047  -6.356   9.274
  152   2HG2  ILE  15          HG22      ILE  15   4.580  -5.512   9.064
  153   3HG2  ILE  15          HG23      ILE  15   4.034  -6.664   7.846
  154   1HD1  ILE  15          HD11      ILE  15   3.770  -6.710   5.596
  155   2HD1  ILE  15          HD12      ILE  15   4.402  -5.065   5.663
  156   3HD1  ILE  15          HD13      ILE  15   3.162  -5.486   4.482
  157    H    GLN  16           HN       GLN  16   2.529  -1.792   8.967
  158    HA   GLN  16           HA       GLN  16   3.722  -2.202  11.618
  159   1HB   GLN  16          HB2       GLN  16   5.105  -1.165   9.808
  160   2HB   GLN  16          HB1       GLN  16   3.985   0.190   9.789
  161   1HG   GLN  16          HG2       GLN  16   4.625   0.070  12.423
  162   2HG   GLN  16          HG1       GLN  16   6.128  -0.465  11.673
  163   1HE2  GLN  16          HE21      GLN  16   5.321   2.036  13.105
  164   2HE2  GLN  16          HE22      GLN  16   5.774   3.317  12.038
  165    H    ASN  17           HN       ASN  17   1.600   0.055   9.870
  166    HA   ASN  17           HA       ASN  17   0.645   1.129  12.413
  167   1HB   ASN  17          HB2       ASN  17   1.271   2.501  10.260
  168   2HB   ASN  17          HB1       ASN  17  -0.357   2.064   9.750
  169   1HD2  ASN  17          HD21      ASN  17   1.451   3.523  12.408
  170   2HD2  ASN  17          HD22      ASN  17   0.204   4.616  12.892
  171    H    ASP  18           HN       ASP  18  -1.571   1.185  12.962
  172    HA   ASP  18           HA       ASP  18  -3.003  -1.182  12.202
  173   1HB   ASP  18          HB2       ASP  18  -2.987  -0.186  14.519
  174   2HB   ASP  18          HB1       ASP  18  -4.007   1.108  13.898
  175    H    LYS  19           HN       LYS  19  -4.011   2.242  12.201
  176    HA   LYS  19           HA       LYS  19  -6.040   1.685  10.220
  177   1HB   LYS  19          HB2       LYS  19  -6.453   4.179  10.414
  178   2HB   LYS  19          HB1       LYS  19  -6.683   3.243  11.884
  179   1HG   LYS  19          HG2       LYS  19  -4.809   4.117  12.897
  180   2HG   LYS  19          HG1       LYS  19  -4.048   4.540  11.363
  181   1HD   LYS  19          HD2       LYS  19  -4.739   6.576  12.374
  182   2HD   LYS  19          HD1       LYS  19  -5.866   6.253  11.055
  183   1HE   LYS  19          HE2       LYS  19  -7.446   6.645  12.601
  184   2HE   LYS  19          HE1       LYS  19  -7.097   5.000  13.128
  185   1HZ   LYS  19          HZ1       LYS  19  -5.462   7.162  14.227
  186   2HZ   LYS  19          HZ2       LYS  19  -5.975   5.722  14.951
  187   3HZ   LYS  19          HZ3       LYS  19  -7.051   7.017  14.789
  188   1HN   NH2  20          NH1       NH2  20  -4.894   1.096   8.389
  189   2HN   NH2  20          NH2       NH2  20  -3.975   2.223   7.457
  Start of MODEL   15
    1   1H    ALA   1          HT1       ALA   1  -2.439   3.284 -16.169
    2   2H    ALA   1          HT2       ALA   1  -3.198   1.870 -16.779
    3   3H    ALA   1          HT3       ALA   1  -2.314   2.896 -17.834
    4    HA   ALA   1           HA       ALA   1  -0.906   1.169 -17.480
    5   1HB   ALA   1          HB1       ALA   1  -0.165   3.623 -16.770
    6   2HB   ALA   1          HB2       ALA   1   0.923   2.239 -16.663
    7   3HB   ALA   1          HB3       ALA   1   0.083   2.814 -15.222
    8    H    LYS   2           HN       LYS   2   0.373  -0.135 -15.830
    9    HA   LYS   2           HA       LYS   2  -1.523  -1.179 -13.854
   10   1HB   LYS   2          HB2       LYS   2   0.311  -2.389 -15.688
   11   2HB   LYS   2          HB1       LYS   2   0.771  -2.847 -14.055
   12   1HG   LYS   2          HG2       LYS   2  -2.093  -3.040 -14.502
   13   2HG   LYS   2          HG1       LYS   2  -1.156  -4.050 -15.605
   14   1HD   LYS   2          HD2       LYS   2  -0.544  -5.463 -13.972
   15   2HD   LYS   2          HD1       LYS   2  -0.232  -4.154 -12.830
   16   1HE   LYS   2          HE2       LYS   2  -2.024  -5.071 -11.788
   17   2HE   LYS   2          HE1       LYS   2  -2.895  -4.015 -12.900
   18   1HZ   LYS   2          HZ1       LYS   2  -3.658  -5.749 -14.084
   19   2HZ   LYS   2          HZ2       LYS   2  -3.370  -6.621 -12.664
   20   3HZ   LYS   2          HZ3       LYS   2  -2.237  -6.653 -13.919
   21    H    LYS   3           HN       LYS   3  -0.591   1.075 -12.910
   22    HA   LYS   3           HA       LYS   3   1.787   0.541 -11.274
   23   1HB   LYS   3          HB2       LYS   3   0.904   2.819 -12.573
   24   2HB   LYS   3          HB1       LYS   3   0.461   3.125 -10.900
   25   1HG   LYS   3          HG2       LYS   3   2.543   3.756 -10.509
   26   2HG   LYS   3          HG1       LYS   3   3.072   2.104 -10.834
   27   1HD   LYS   3          HD2       LYS   3   2.715   3.147 -13.357
   28   2HD   LYS   3          HD1       LYS   3   3.358   4.518 -12.450
   29   1HE   LYS   3          HE2       LYS   3   4.596   1.769 -12.554
   30   2HE   LYS   3          HE1       LYS   3   5.120   3.151 -13.515
   31   1HZ   LYS   3          HZ1       LYS   3   5.200   4.193 -11.072
   32   2HZ   LYS   3          HZ2       LYS   3   6.522   3.425 -11.795
   33   3HZ   LYS   3          HZ3       LYS   3   5.549   2.580 -10.700
   34    H    VAL   4           HN       VAL   4  -0.411  -1.004 -10.642
   35    HA   VAL   4           HA       VAL   4  -1.867   0.082  -8.441
   36    HB   VAL   4           HB       VAL   4  -2.681  -1.924  -9.611
   37   1HG1  VAL   4          HG11      VAL   4  -1.502  -4.115  -9.053
   38   2HG1  VAL   4          HG12      VAL   4  -0.119  -3.120  -8.598
   39   3HG1  VAL   4          HG13      VAL   4  -0.735  -3.070 -10.250
   40   1HG2  VAL   4          HG21      VAL   4  -1.969  -2.574  -6.754
   41   2HG2  VAL   4          HG22      VAL   4  -3.318  -3.223  -7.686
   42   3HG2  VAL   4          HG23      VAL   4  -3.293  -1.516  -7.242
   43    H    PHE   5           HN       PHE   5   1.274  -0.655  -8.980
   44    HA   PHE   5           HA       PHE   5   2.359  -1.827  -6.787
   45   1HB   PHE   5          HB2       PHE   5   3.533  -1.126  -8.872
   46   2HB   PHE   5          HB1       PHE   5   3.460   0.536  -8.310
   47    HD1  PHE   5           HD1      PHE   5   5.150  -2.654  -8.020
   48    HD2  PHE   5           HD2      PHE   5   4.773   1.237  -6.338
   49    HE1  PHE   5           HE1      PHE   5   7.275  -2.971  -6.820
   50    HE2  PHE   5           HE2      PHE   5   6.898   0.928  -5.136
   51    HZ   PHE   5           HZ       PHE   5   8.152  -1.178  -5.376
   52    H    LYS   6           HN       LYS   6   0.935   1.255  -7.037
   53    HA   LYS   6           HA       LYS   6   2.101   2.443  -4.732
   54   1HB   LYS   6          HB2       LYS   6   0.925   3.660  -6.631
   55   2HB   LYS   6          HB1       LYS   6  -0.591   3.124  -5.920
   56   1HG   LYS   6          HG2       LYS   6  -0.001   4.297  -3.838
   57   2HG   LYS   6          HG1       LYS   6   1.473   4.883  -4.612
   58   1HD   LYS   6          HD2       LYS   6  -0.222   5.732  -6.439
   59   2HD   LYS   6          HD1       LYS   6  -1.368   5.644  -5.100
   60   1HE   LYS   6          HE2       LYS   6  -0.496   7.443  -4.088
   61   2HE   LYS   6          HE1       LYS   6   1.161   6.923  -4.394
   62   1HZ   LYS   6          HZ1       LYS   6   1.087   8.750  -5.711
   63   2HZ   LYS   6          HZ2       LYS   6  -0.575   8.637  -6.000
   64   3HZ   LYS   6          HZ3       LYS   6   0.497   7.627  -6.831
   65    H    ARG   7           HN       ARG   7  -0.745   0.479  -5.346
   66    HA   ARG   7           HA       ARG   7  -1.975   0.781  -2.830
   67   1HB   ARG   7          HB2       ARG   7  -2.088  -1.334  -4.959
   68   2HB   ARG   7          HB1       ARG   7  -2.902  -1.578  -3.420
   69   1HG   ARG   7          HG2       ARG   7  -3.437   0.991  -4.754
   70   2HG   ARG   7          HG1       ARG   7  -4.055  -0.448  -5.567
   71   1HD   ARG   7          HD2       ARG   7  -4.629  -0.728  -2.813
   72   2HD   ARG   7          HD1       ARG   7  -5.087   0.910  -3.275
   73    HE   ARG   7           HE       ARG   7  -6.786   0.047  -4.553
   74   1HH1  ARG   7          HH11      ARG   7  -4.622  -2.533  -3.635
   75   2HH1  ARG   7          HH12      ARG   7  -5.667  -3.785  -4.216
   76   1HH2  ARG   7          HH21      ARG   7  -8.163  -1.598  -5.315
   77   2HH2  ARG   7          HH22      ARG   7  -7.678  -3.254  -5.169
   78    H    LEU   8           HN       LEU   8   0.607  -1.284  -4.002
   79    HA   LEU   8           HA       LEU   8   0.720  -3.072  -1.835
   80   1HB   LEU   8          HB2       LEU   8   2.563  -2.220  -3.997
   81   2HB   LEU   8          HB1       LEU   8   3.297  -2.984  -2.600
   82    HG   LEU   8           HG       LEU   8   1.042  -4.251  -4.144
   83   1HD1  LEU   8          HD11      LEU   8   3.429  -3.728  -5.281
   84   2HD1  LEU   8          HD12      LEU   8   2.452  -5.149  -5.651
   85   3HD1  LEU   8          HD13      LEU   8   3.781  -5.269  -4.498
   86   1HD2  LEU   8          HD21      LEU   8   1.419  -5.056  -1.854
   87   2HD2  LEU   8          HD22      LEU   8   3.100  -5.397  -2.261
   88   3HD2  LEU   8          HD23      LEU   8   1.802  -6.285  -3.059
   89    H    GLU   9           HN       GLU   9   2.174   0.101  -2.367
   90    HA   GLU   9           HA       GLU   9   3.755   0.088  -0.006
   91   1HB   GLU   9          HB2       GLU   9   2.731   2.327  -1.756
   92   2HB   GLU   9          HB1       GLU   9   3.767   2.604  -0.363
   93   1HG   GLU   9          HG2       GLU   9   5.565   1.428  -1.349
   94   2HG   GLU   9          HG1       GLU   9   4.534   0.788  -2.628
   95    H    LYS  10           HN       LYS  10   0.463   1.024  -0.758
   96    HA   LYS  10           HA       LYS  10  -0.056   2.326   1.722
   97   1HB   LYS  10          HB2       LYS  10  -1.437   1.907  -0.702
   98   2HB   LYS  10          HB1       LYS  10  -2.432   1.179   0.552
   99   1HG   LYS  10          HG2       LYS  10  -3.194   3.180   1.096
  100   2HG   LYS  10          HG1       LYS  10  -1.558   3.682   1.527
  101   1HD   LYS  10          HD2       LYS  10  -1.201   4.174  -0.929
  102   2HD   LYS  10          HD1       LYS  10  -2.939   3.947  -1.136
  103   1HE   LYS  10          HE2       LYS  10  -2.906   5.661   0.954
  104   2HE   LYS  10          HE1       LYS  10  -1.447   6.166   0.102
  105   1HZ   LYS  10          HZ1       LYS  10  -2.626   6.909  -1.668
  106   2HZ   LYS  10          HZ2       LYS  10  -3.818   7.127  -0.488
  107   3HZ   LYS  10          HZ3       LYS  10  -3.862   5.767  -1.492
  108    H    LEU  11           HN       LEU  11  -0.242  -0.969   0.559
  109    HA   LEU  11           HA       LEU  11  -1.718  -2.000   2.765
  110   1HB   LEU  11          HB2       LEU  11  -0.012  -3.227   0.621
  111   2HB   LEU  11          HB1       LEU  11  -0.616  -4.204   1.946
  112    HG   LEU  11           HG       LEU  11  -2.578  -2.565   0.419
  113   1HD1  LEU  11          HD11      LEU  11  -1.314  -5.102  -0.598
  114   2HD1  LEU  11          HD12      LEU  11  -1.321  -3.521  -1.381
  115   3HD1  LEU  11          HD13      LEU  11  -2.825  -4.426  -1.208
  116   1HD2  LEU  11          HD21      LEU  11  -4.093  -3.984   1.299
  117   2HD2  LEU  11          HD22      LEU  11  -2.817  -4.277   2.482
  118   3HD2  LEU  11          HD23      LEU  11  -3.038  -5.388   1.130
  119    H    PHE  12           HN       PHE  12   1.665  -1.401   2.114
  120    HA   PHE  12           HA       PHE  12   2.691  -2.913   4.297
  121   1HB   PHE  12          HB2       PHE  12   3.973  -2.078   2.243
  122   2HB   PHE  12          HB1       PHE  12   4.027  -0.513   3.047
  123    HD1  PHE  12           HD1      PHE  12   5.272  -0.248   5.156
  124    HD2  PHE  12           HD2      PHE  12   5.367  -3.875   2.932
  125    HE1  PHE  12           HE1      PHE  12   7.274  -0.954   6.400
  126    HE2  PHE  12           HE2      PHE  12   7.368  -4.588   4.172
  127    HZ   PHE  12           HZ       PHE  12   8.325  -3.127   5.908
  128    H    SER  13           HN       SER  13   1.462   0.337   3.909
  129    HA   SER  13           HA       SER  13   2.402   1.255   6.454
  130   1HB   SER  13          HB2       SER  13   1.211   3.276   6.002
  131   2HB   SER  13          HB1       SER  13   1.881   2.741   4.462
  132    HG   SER  13           HG       SER  13  -0.069   2.430   3.723
  133    H    LYS  14           HN       LYS  14  -0.214  -0.611   5.373
  134    HA   LYS  14           HA       LYS  14  -1.913  -0.029   7.636
  135   1HB   LYS  14          HB2       LYS  14  -2.130  -1.858   5.269
  136   2HB   LYS  14          HB1       LYS  14  -3.226  -2.030   6.633
  137   1HG   LYS  14          HG2       LYS  14  -4.276  -0.028   6.220
  138   2HG   LYS  14          HG1       LYS  14  -2.887   0.645   5.363
  139   1HD   LYS  14          HD2       LYS  14  -3.391  -1.270   3.652
  140   2HD   LYS  14          HD1       LYS  14  -4.995  -1.234   4.388
  141   1HE   LYS  14          HE2       LYS  14  -5.506   0.778   3.494
  142   2HE   LYS  14          HE1       LYS  14  -3.858   1.384   3.653
  143   1HZ   LYS  14          HZ1       LYS  14  -4.249   1.188   1.365
  144   2HZ   LYS  14          HZ2       LYS  14  -4.971  -0.334   1.516
  145   3HZ   LYS  14          HZ3       LYS  14  -3.305  -0.162   1.752
  146    H    ILE  15           HN       ILE  15   0.504  -2.270   6.723
  147    HA   ILE  15           HA       ILE  15  -0.135  -4.185   8.803
  148    HB   ILE  15           HB       ILE  15   2.314  -4.077   7.039
  149   1HG1  ILE  15          HG12      ILE  15   0.063  -5.980   6.571
  150   2HG1  ILE  15          HG11      ILE  15  -0.129  -4.317   6.026
  151   1HG2  ILE  15          HG21      ILE  15   2.979  -5.593   8.571
  152   2HG2  ILE  15          HG22      ILE  15   1.951  -6.678   7.634
  153   3HG2  ILE  15          HG23      ILE  15   1.333  -5.932   9.108
  154   1HD1  ILE  15          HD11      ILE  15   0.834  -6.133   4.431
  155   2HD1  ILE  15          HD12      ILE  15   2.338  -5.813   5.294
  156   3HD1  ILE  15          HD13      ILE  15   1.516  -4.507   4.442
  157    H    GLN  16           HN       GLN  16   2.034  -1.500   8.268
  158    HA   GLN  16           HA       GLN  16   3.755  -2.067  10.483
  159   1HB   GLN  16          HB2       GLN  16   3.342   0.323   8.707
  160   2HB   GLN  16          HB1       GLN  16   4.399   0.407  10.110
  161   1HG   GLN  16          HG2       GLN  16   4.790  -1.809   8.171
  162   2HG   GLN  16          HG1       GLN  16   5.321  -0.188   7.725
  163   1HE2  GLN  16          HE21      GLN  16   6.630   0.927   9.471
  164   2HE2  GLN  16          HE22      GLN  16   7.829  -0.033  10.263
  165    H    ASN  17           HN       ASN  17   1.167   0.317   9.930
  166    HA   ASN  17           HA       ASN  17   1.207   1.227  12.646
  167   1HB   ASN  17          HB2       ASN  17  -0.556   1.737  10.270
  168   2HB   ASN  17          HB1       ASN  17  -1.048   2.286  11.870
  169   1HD2  ASN  17          HD21      ASN  17   0.902   3.366  13.069
  170   2HD2  ASN  17          HD22      ASN  17   1.715   4.582  12.149
  171    H    ASP  18           HN       ASP  18   0.128   0.462  14.350
  172    HA   ASP  18           HA       ASP  18  -1.635  -1.833  13.948
  173   1HB   ASP  18          HB2       ASP  18   0.005  -0.801  16.210
  174   2HB   ASP  18          HB1       ASP  18  -1.440  -1.726  16.606
  175    H    LYS  19           HN       LYS  19  -2.544   0.880  13.342
  176    HA   LYS  19           HA       LYS  19  -4.575   1.279  15.427
  177   1HB   LYS  19          HB2       LYS  19  -3.379   3.086  13.352
  178   2HB   LYS  19          HB1       LYS  19  -4.952   3.456  14.046
  179   1HG   LYS  19          HG2       LYS  19  -4.071   3.777  16.180
  180   2HG   LYS  19          HG1       LYS  19  -2.572   2.932  15.787
  181   1HD   LYS  19          HD2       LYS  19  -2.220   4.823  14.068
  182   2HD   LYS  19          HD1       LYS  19  -3.453   5.686  14.990
  183   1HE   LYS  19          HE2       LYS  19  -1.240   4.451  16.522
  184   2HE   LYS  19          HE1       LYS  19  -0.842   5.858  15.537
  185   1HZ   LYS  19          HZ1       LYS  19  -1.633   6.163  17.971
  186   2HZ   LYS  19          HZ2       LYS  19  -3.179   5.957  17.317
  187   3HZ   LYS  19          HZ3       LYS  19  -2.193   7.218  16.772
  188   1HN   NH2  20          NH1       NH2  20  -4.327   1.476  11.886
  189   2HN   NH2  20          NH2       NH2  20  -5.904   0.848  11.565
  Start of MODEL   16
    1   1H    ALA   1          HT1       ALA   1  -3.747   0.087 -14.435
    2   2H    ALA   1          HT2       ALA   1  -3.886  -0.769 -15.916
    3   3H    ALA   1          HT3       ALA   1  -4.330   0.887 -15.835
    4    HA   ALA   1           HA       ALA   1  -2.184   0.439 -16.896
    5   1HB   ALA   1          HB1       ALA   1  -2.063   2.101 -14.385
    6   2HB   ALA   1          HB2       ALA   1  -2.822   2.614 -15.892
    7   3HB   ALA   1          HB3       ALA   1  -1.088   2.300 -15.840
    8    H    LYS   2           HN       LYS   2   0.200   0.435 -16.207
    9    HA   LYS   2           HA       LYS   2   0.599  -1.914 -14.511
   10   1HB   LYS   2          HB2       LYS   2   1.557  -1.454 -16.960
   11   2HB   LYS   2          HB1       LYS   2   2.844  -0.693 -16.036
   12   1HG   LYS   2          HG2       LYS   2   2.981  -2.863 -14.724
   13   2HG   LYS   2          HG1       LYS   2   1.961  -3.559 -15.985
   14   1HD   LYS   2          HD2       LYS   2   4.233  -4.028 -16.551
   15   2HD   LYS   2          HD1       LYS   2   3.652  -2.785 -17.661
   16   1HE   LYS   2          HE2       LYS   2   4.844  -1.088 -16.545
   17   2HE   LYS   2          HE1       LYS   2   5.136  -2.109 -15.138
   18   1HZ   LYS   2          HZ1       LYS   2   6.303  -2.509 -17.840
   19   2HZ   LYS   2          HZ2       LYS   2   6.580  -3.496 -16.495
   20   3HZ   LYS   2          HZ3       LYS   2   7.119  -1.893 -16.492
   21    H    LYS   3           HN       LYS   3  -0.015   0.289 -13.047
   22    HA   LYS   3           HA       LYS   3   2.467   0.701 -11.565
   23   1HB   LYS   3          HB2       LYS   3   2.185   3.105 -11.412
   24   2HB   LYS   3          HB1       LYS   3   2.293   2.640 -13.104
   25   1HG   LYS   3          HG2       LYS   3   0.230   3.374 -13.566
   26   2HG   LYS   3          HG1       LYS   3  -0.440   2.747 -12.059
   27   1HD   LYS   3          HD2       LYS   3   0.597   4.658 -10.862
   28   2HD   LYS   3          HD1       LYS   3   1.125   5.302 -12.418
   29   1HE   LYS   3          HE2       LYS   3  -0.871   6.445 -11.888
   30   2HE   LYS   3          HE1       LYS   3  -1.305   5.255 -13.115
   31   1HZ   LYS   3          HZ1       LYS   3  -1.660   4.832 -10.199
   32   2HZ   LYS   3          HZ2       LYS   3  -2.227   3.843 -11.448
   33   3HZ   LYS   3          HZ3       LYS   3  -2.882   5.387 -11.229
   34    H    VAL   4           HN       VAL   4   0.271  -0.912 -11.014
   35    HA   VAL   4           HA       VAL   4  -1.444   0.362  -9.103
   36    HB   VAL   4           HB       VAL   4  -0.767  -2.582  -9.211
   37   1HG1  VAL   4          HG11      VAL   4  -2.033  -2.452  -7.346
   38   2HG1  VAL   4          HG12      VAL   4  -3.358  -2.444  -8.510
   39   3HG1  VAL   4          HG13      VAL   4  -2.777  -0.927  -7.826
   40   1HG2  VAL   4          HG21      VAL   4  -2.481  -0.935 -10.995
   41   2HG2  VAL   4          HG22      VAL   4  -3.051  -2.542 -10.544
   42   3HG2  VAL   4          HG23      VAL   4  -1.500  -2.354 -11.362
   43    H    PHE   5           HN       PHE   5   1.736  -0.333  -9.248
   44    HA   PHE   5           HA       PHE   5   2.636  -1.338  -6.912
   45   1HB   PHE   5          HB2       PHE   5   4.006  -0.685  -8.868
   46   2HB   PHE   5          HB1       PHE   5   3.770   1.003  -8.444
   47    HD1  PHE   5           HD1      PHE   5   5.176   2.065  -6.903
   48    HD2  PHE   5           HD2      PHE   5   5.237  -2.177  -7.229
   49    HE1  PHE   5           HE1      PHE   5   7.169   1.988  -5.463
   50    HE2  PHE   5           HE2      PHE   5   7.229  -2.263  -5.788
   51    HZ   PHE   5           HZ       PHE   5   8.198  -0.179  -4.903
   52    H    LYS   6           HN       LYS   6   1.132   1.679  -7.427
   53    HA   LYS   6           HA       LYS   6   2.006   2.974  -5.048
   54   1HB   LYS   6          HB2       LYS   6   0.855   3.936  -7.229
   55   2HB   LYS   6          HB1       LYS   6  -0.618   3.645  -6.315
   56   1HG   LYS   6          HG2       LYS   6  -0.314   5.659  -5.433
   57   2HG   LYS   6          HG1       LYS   6   1.009   4.947  -4.507
   58   1HD   LYS   6          HD2       LYS   6   1.257   6.253  -7.217
   59   2HD   LYS   6          HD1       LYS   6   1.713   6.983  -5.677
   60   1HE   LYS   6          HE2       LYS   6   3.621   5.792  -5.529
   61   2HE   LYS   6          HE1       LYS   6   2.889   4.341  -6.214
   62   1HZ   LYS   6          HZ1       LYS   6   4.211   4.877  -7.940
   63   2HZ   LYS   6          HZ2       LYS   6   4.282   6.520  -7.542
   64   3HZ   LYS   6          HZ3       LYS   6   2.931   5.905  -8.353
   65    H    ARG   7           HN       ARG   7  -0.785   1.002  -5.920
   66    HA   ARG   7           HA       ARG   7  -2.198   1.324  -3.496
   67   1HB   ARG   7          HB2       ARG   7  -2.214  -0.825  -5.609
   68   2HB   ARG   7          HB1       ARG   7  -3.225  -0.928  -4.174
   69   1HG   ARG   7          HG2       ARG   7  -3.299   1.224  -6.277
   70   2HG   ARG   7          HG1       ARG   7  -4.504  -0.036  -6.004
   71   1HD   ARG   7          HD2       ARG   7  -5.558   1.388  -4.659
   72   2HD   ARG   7          HD1       ARG   7  -4.212   1.215  -3.534
   73    HE   ARG   7           HE       ARG   7  -3.510   3.317  -4.102
   74   1HH1  ARG   7          HH11      ARG   7  -5.804   2.213  -6.489
   75   2HH1  ARG   7          HH12      ARG   7  -5.907   3.748  -7.283
   76   1HH2  ARG   7          HH21      ARG   7  -3.643   5.338  -5.147
   77   2HH2  ARG   7          HH22      ARG   7  -4.679   5.522  -6.522
   78    H    LEU   8           HN       LEU   8   0.433  -0.744  -4.500
   79    HA   LEU   8           HA       LEU   8   0.332  -2.596  -2.376
   80   1HB   LEU   8          HB2       LEU   8   2.018  -2.045  -4.602
   81   2HB   LEU   8          HB1       LEU   8   3.037  -2.152  -3.180
   82    HG   LEU   8           HG       LEU   8   1.476  -4.358  -2.857
   83   1HD1  LEU   8          HD11      LEU   8   1.681  -3.777  -5.786
   84   2HD1  LEU   8          HD12      LEU   8   0.297  -4.351  -4.855
   85   3HD1  LEU   8          HD13      LEU   8   1.645  -5.437  -5.191
   86   1HD2  LEU   8          HD21      LEU   8   3.410  -5.552  -3.212
   87   2HD2  LEU   8          HD22      LEU   8   4.054  -3.933  -2.942
   88   3HD2  LEU   8          HD23      LEU   8   3.900  -4.558  -4.584
   89    H    GLU   9           HN       GLU   9   1.772   0.592  -2.719
   90    HA   GLU   9           HA       GLU   9   3.310   0.520  -0.340
   91   1HB   GLU   9          HB2       GLU   9   3.120   2.251  -2.430
   92   2HB   GLU   9          HB1       GLU   9   2.241   3.138  -1.192
   93   1HG   GLU   9          HG2       GLU   9   4.320   3.923  -0.777
   94   2HG   GLU   9          HG1       GLU   9   4.364   2.491   0.252
   95    H    LYS  10           HN       LYS  10  -0.023   1.328  -1.052
   96    HA   LYS  10           HA       LYS  10  -0.617   2.500   1.468
   97   1HB   LYS  10          HB2       LYS  10  -1.992   2.017  -0.958
   98   2HB   LYS  10          HB1       LYS  10  -2.923   1.228   0.308
   99   1HG   LYS  10          HG2       LYS  10  -3.850   3.327   0.280
  100   2HG   LYS  10          HG1       LYS  10  -2.642   3.490   1.557
  101   1HD   LYS  10          HD2       LYS  10  -1.082   4.300  -0.333
  102   2HD   LYS  10          HD1       LYS  10  -2.570   4.528  -1.256
  103   1HE   LYS  10          HE2       LYS  10  -2.278   5.668   1.499
  104   2HE   LYS  10          HE1       LYS  10  -1.619   6.513   0.100
  105   1HZ   LYS  10          HZ1       LYS  10  -4.076   5.989  -0.761
  106   2HZ   LYS  10          HZ2       LYS  10  -3.667   7.409   0.062
  107   3HZ   LYS  10          HZ3       LYS  10  -4.384   6.125   0.898
  108    H    LEU  11           HN       LEU  11  -0.739  -0.771   0.174
  109    HA   LEU  11           HA       LEU  11  -2.059  -1.966   2.366
  110   1HB   LEU  11          HB2       LEU  11  -1.176  -2.816  -0.093
  111   2HB   LEU  11          HB1       LEU  11  -0.078  -3.641   0.997
  112    HG   LEU  11           HG       LEU  11  -2.389  -4.236   2.216
  113   1HD1  LEU  11          HD11      LEU  11  -4.235  -4.243   0.924
  114   2HD1  LEU  11          HD12      LEU  11  -3.332  -4.570  -0.555
  115   3HD1  LEU  11          HD13      LEU  11  -3.399  -2.932   0.093
  116   1HD2  LEU  11          HD21      LEU  11  -2.344  -6.259   0.461
  117   2HD2  LEU  11          HD22      LEU  11  -1.163  -6.081   1.759
  118   3HD2  LEU  11          HD23      LEU  11  -0.766  -5.548   0.126
  119    H    PHE  12           HN       PHE  12   1.274  -1.098   1.745
  120    HA   PHE  12           HA       PHE  12   2.451  -2.604   3.831
  121   1HB   PHE  12          HB2       PHE  12   3.620  -1.435   1.872
  122   2HB   PHE  12          HB1       PHE  12   3.481   0.044   2.815
  123    HD1  PHE  12           HD1      PHE  12   4.924   0.477   4.644
  124    HD2  PHE  12           HD2      PHE  12   4.988  -3.316   2.716
  125    HE1  PHE  12           HE1      PHE  12   7.002  -0.090   5.835
  126    HE2  PHE  12           HE2      PHE  12   7.064  -3.890   3.904
  127    HZ   PHE  12           HZ       PHE  12   8.074  -2.276   5.466
  128    H    SER  13           HN       SER  13   0.931   0.559   3.681
  129    HA   SER  13           HA       SER  13   1.704   1.386   6.285
  130   1HB   SER  13          HB2       SER  13   0.593   2.684   4.194
  131   2HB   SER  13          HB1       SER  13  -0.846   2.415   5.178
  132    HG   SER  13           HG       SER  13   1.556   3.599   6.120
  133    H    LYS  14           HN       LYS  14  -0.587  -0.819   5.112
  134    HA   LYS  14           HA       LYS  14  -2.322  -0.706   7.411
  135   1HB   LYS  14          HB2       LYS  14  -2.985  -1.381   5.014
  136   2HB   LYS  14          HB1       LYS  14  -2.250  -2.932   5.391
  137   1HG   LYS  14          HG2       LYS  14  -4.015  -2.229   7.510
  138   2HG   LYS  14          HG1       LYS  14  -4.863  -2.034   5.975
  139   1HD   LYS  14          HD2       LYS  14  -3.728  -4.381   5.482
  140   2HD   LYS  14          HD1       LYS  14  -3.753  -4.483   7.244
  141   1HE   LYS  14          HE2       LYS  14  -6.265  -3.597   6.741
  142   2HE   LYS  14          HE1       LYS  14  -5.964  -4.576   5.306
  143   1HZ   LYS  14          HZ1       LYS  14  -6.885  -5.573   7.583
  144   2HZ   LYS  14          HZ2       LYS  14  -5.227  -5.772   7.851
  145   3HZ   LYS  14          HZ3       LYS  14  -5.953  -6.474   6.495
  146    H    ILE  15           HN       ILE  15   0.608  -2.181   6.579
  147    HA   ILE  15           HA       ILE  15   0.349  -4.414   8.407
  148    HB   ILE  15           HB       ILE  15   2.866  -3.458   7.048
  149   1HG1  ILE  15          HG12      ILE  15   0.867  -5.490   6.029
  150   2HG1  ILE  15          HG11      ILE  15   1.037  -3.852   5.405
  151   1HG2  ILE  15          HG21      ILE  15   2.395  -6.313   7.559
  152   2HG2  ILE  15          HG22      ILE  15   2.578  -5.311   8.998
  153   3HG2  ILE  15          HG23      ILE  15   3.851  -5.343   7.779
  154   1HD1  ILE  15          HD11      ILE  15   2.940  -6.149   5.184
  155   2HD1  ILE  15          HD12      ILE  15   3.466  -4.484   4.935
  156   3HD1  ILE  15          HD13      ILE  15   2.216  -5.178   3.903
  157    H    GLN  16           HN       GLN  16   1.580  -1.164   8.417
  158    HA   GLN  16           HA       GLN  16   2.980  -1.597  10.948
  159   1HB   GLN  16          HB2       GLN  16   3.478   0.050   8.747
  160   2HB   GLN  16          HB1       GLN  16   2.942   1.149  10.010
  161   1HG   GLN  16          HG2       GLN  16   5.106  -0.891  10.427
  162   2HG   GLN  16          HG1       GLN  16   5.419   0.749   9.862
  163   1HE2  GLN  16          HE21      GLN  16   3.970   2.357  11.309
  164   2HE2  GLN  16          HE22      GLN  16   4.280   2.190  13.001
  165    H    ASN  17           HN       ASN  17   0.040  -1.703  10.723
  166    HA   ASN  17           HA       ASN  17  -0.801   0.686  12.177
  167   1HB   ASN  17          HB2       ASN  17  -2.152  -0.306  10.262
  168   2HB   ASN  17          HB1       ASN  17  -2.539  -1.638  11.346
  169   1HD2  ASN  17          HD21      ASN  17  -4.484  -1.431  12.156
  170   2HD2  ASN  17          HD22      ASN  17  -5.234   0.043  12.658
  171    H    ASP  18           HN       ASP  18   0.658  -0.091  13.970
  172    HA   ASP  18           HA       ASP  18  -0.495  -2.245  15.571
  173   1HB   ASP  18          HB2       ASP  18   1.987  -0.630  16.163
  174   2HB   ASP  18          HB1       ASP  18   1.517  -2.170  16.876
  175    H    LYS  19           HN       LYS  19  -1.904   0.290  15.247
  176    HA   LYS  19           HA       LYS  19  -1.744   1.393  17.965
  177   1HB   LYS  19          HB2       LYS  19  -2.639   2.488  15.337
  178   2HB   LYS  19          HB1       LYS  19  -3.387   3.116  16.799
  179   1HG   LYS  19          HG2       LYS  19  -0.478   2.991  16.952
  180   2HG   LYS  19          HG1       LYS  19  -1.075   4.033  15.659
  181   1HD   LYS  19          HD2       LYS  19  -2.699   4.802  17.663
  182   2HD   LYS  19          HD1       LYS  19  -1.273   4.336  18.591
  183   1HE   LYS  19          HE2       LYS  19   0.107   5.851  17.343
  184   2HE   LYS  19          HE1       LYS  19  -1.214   6.212  16.233
  185   1HZ   LYS  19          HZ1       LYS  19  -1.001   6.960  19.094
  186   2HZ   LYS  19          HZ2       LYS  19  -2.438   7.096  18.212
  187   3HZ   LYS  19          HZ3       LYS  19  -1.079   7.993  17.756
  188   1HN   NH2  20          NH1       NH2  20  -2.976  -1.141  17.386
  189   2HN   NH2  20          NH2       NH2  20  -4.647  -1.004  17.802
  Start of MODEL   17
    1   1H    ALA   1          HT1       ALA   1  -2.500   3.562 -17.151
    2   2H    ALA   1          HT2       ALA   1  -3.071   2.493 -15.936
    3   3H    ALA   1          HT3       ALA   1  -2.673   1.891 -17.493
    4    HA   ALA   1           HA       ALA   1  -0.452   2.133 -17.183
    5   1HB   ALA   1          HB1       ALA   1   0.558   3.711 -15.916
    6   2HB   ALA   1          HB2       ALA   1  -0.600   3.551 -14.596
    7   3HB   ALA   1          HB3       ALA   1  -1.023   4.482 -16.032
    8    H    LYS   2           HN       LYS   2   0.874   0.759 -15.954
    9    HA   LYS   2           HA       LYS   2  -0.623  -1.061 -14.235
   10   1HB   LYS   2          HB2       LYS   2   1.238  -2.594 -14.532
   11   2HB   LYS   2          HB1       LYS   2   0.708  -1.988 -16.094
   12   1HG   LYS   2          HG2       LYS   2   2.585  -0.266 -15.856
   13   2HG   LYS   2          HG1       LYS   2   3.191  -1.304 -14.564
   14   1HD   LYS   2          HD2       LYS   2   2.492  -2.667 -17.083
   15   2HD   LYS   2          HD1       LYS   2   3.875  -1.574 -17.161
   16   1HE   LYS   2          HE2       LYS   2   4.738  -2.766 -15.089
   17   2HE   LYS   2          HE1       LYS   2   3.495  -3.979 -15.396
   18   1HZ   LYS   2          HZ1       LYS   2   5.581  -4.653 -16.364
   19   2HZ   LYS   2          HZ2       LYS   2   5.690  -3.213 -17.245
   20   3HZ   LYS   2          HZ3       LYS   2   4.470  -4.330 -17.599
   21    H    LYS   3           HN       LYS   3  -0.276   1.280 -12.950
   22    HA   LYS   3           HA       LYS   3   2.048   0.934 -11.175
   23   1HB   LYS   3          HB2       LYS   3   1.549   3.176 -12.277
   24   2HB   LYS   3          HB1       LYS   3   0.133   3.274 -11.239
   25   1HG   LYS   3          HG2       LYS   3   2.384   2.648  -9.619
   26   2HG   LYS   3          HG1       LYS   3   2.802   4.010 -10.659
   27   1HD   LYS   3          HD2       LYS   3   0.681   5.115  -9.935
   28   2HD   LYS   3          HD1       LYS   3   0.454   3.801  -8.778
   29   1HE   LYS   3          HE2       LYS   3   2.654   5.852  -8.854
   30   2HE   LYS   3          HE1       LYS   3   1.455   5.592  -7.589
   31   1HZ   LYS   3          HZ1       LYS   3   3.907   4.112  -8.159
   32   2HZ   LYS   3          HZ2       LYS   3   2.589   3.225  -7.577
   33   3HZ   LYS   3          HZ3       LYS   3   3.206   4.513  -6.671
   34    H    VAL   4           HN       VAL   4   0.010  -0.923 -10.934
   35    HA   VAL   4           HA       VAL   4  -1.762  -0.280  -8.795
   36    HB   VAL   4           HB       VAL   4  -2.192  -2.235 -10.221
   37   1HG1  VAL   4          HG11      VAL   4   0.069  -2.923 -10.694
   38   2HG1  VAL   4          HG12      VAL   4  -0.805  -4.269  -9.964
   39   3HG1  VAL   4          HG13      VAL   4   0.337  -3.333  -8.999
   40   1HG2  VAL   4          HG21      VAL   4  -2.351  -2.161  -7.419
   41   2HG2  VAL   4          HG22      VAL   4  -1.814  -3.788  -7.835
   42   3HG2  VAL   4          HG23      VAL   4  -3.304  -3.147  -8.527
   43    H    PHE   5           HN       PHE   5   1.490  -0.635  -9.097
   44    HA   PHE   5           HA       PHE   5   2.480  -1.844  -6.869
   45   1HB   PHE   5          HB2       PHE   5   3.729  -0.884  -8.839
   46   2HB   PHE   5          HB1       PHE   5   3.523   0.701  -8.112
   47    HD1  PHE   5           HD1      PHE   5   4.794  -2.692  -7.214
   48    HD2  PHE   5           HD2      PHE   5   5.227   1.521  -6.803
   49    HE1  PHE   5           HE1      PHE   5   6.843  -3.036  -5.897
   50    HE2  PHE   5           HE2      PHE   5   7.278   1.186  -5.486
   51    HZ   PHE   5           HZ       PHE   5   8.088  -1.095  -5.031
   52    H    LYS   6           HN       LYS   6   0.803   1.105  -7.128
   53    HA   LYS   6           HA       LYS   6   1.641   2.309  -4.701
   54   1HB   LYS   6          HB2       LYS   6   0.573   3.606  -6.492
   55   2HB   LYS   6          HB1       LYS   6  -0.916   2.697  -6.273
   56   1HG   LYS   6          HG2       LYS   6  -1.457   3.779  -4.332
   57   2HG   LYS   6          HG1       LYS   6   0.224   4.143  -3.938
   58   1HD   LYS   6          HD2       LYS   6  -0.904   5.386  -6.383
   59   2HD   LYS   6          HD1       LYS   6  -1.475   5.995  -4.828
   60   1HE   LYS   6          HE2       LYS   6   0.677   6.658  -4.172
   61   2HE   LYS   6          HE1       LYS   6   1.451   5.675  -5.415
   62   1HZ   LYS   6          HZ1       LYS   6  -0.011   7.302  -6.921
   63   2HZ   LYS   6          HZ2       LYS   6   1.578   7.648  -6.460
   64   3HZ   LYS   6          HZ3       LYS   6   0.285   8.328  -5.608
   65    H    ARG   7           HN       ARG   7  -0.960   0.105  -5.588
   66    HA   ARG   7           HA       ARG   7  -2.362   0.168  -3.150
   67   1HB   ARG   7          HB2       ARG   7  -2.268  -1.576  -5.517
   68   2HB   ARG   7          HB1       ARG   7  -2.729  -2.398  -4.032
   69   1HG   ARG   7          HG2       ARG   7  -4.793  -1.665  -4.335
   70   2HG   ARG   7          HG1       ARG   7  -4.205  -0.024  -4.060
   71   1HD   ARG   7          HD2       ARG   7  -4.030  -1.325  -6.759
   72   2HD   ARG   7          HD1       ARG   7  -5.496  -0.502  -6.228
   73    HE   ARG   7           HE       ARG   7  -3.017   0.712  -7.031
   74   1HH1  ARG   7          HH11      ARG   7  -5.944   1.135  -5.178
   75   2HH1  ARG   7          HH12      ARG   7  -5.886   2.864  -5.246
   76   1HH2  ARG   7          HH21      ARG   7  -2.938   2.987  -7.121
   77   2HH2  ARG   7          HH22      ARG   7  -4.180   3.916  -6.349
   78    H    LEU   8           HN       LEU   8   0.435  -1.679  -4.239
   79    HA   LEU   8           HA       LEU   8   0.573  -3.456  -2.055
   80   1HB   LEU   8          HB2       LEU   8   2.271  -2.670  -4.290
   81   2HB   LEU   8          HB1       LEU   8   3.201  -3.032  -2.849
   82    HG   LEU   8           HG       LEU   8   1.150  -5.037  -3.438
   83   1HD1  LEU   8          HD11      LEU   8   2.832  -5.971  -5.242
   84   2HD1  LEU   8          HD12      LEU   8   3.140  -4.253  -5.501
   85   3HD1  LEU   8          HD13      LEU   8   1.507  -4.895  -5.686
   86   1HD2  LEU   8          HD21      LEU   8   3.265  -4.974  -1.847
   87   2HD2  LEU   8          HD22      LEU   8   4.060  -5.606  -3.289
   88   3HD2  LEU   8          HD23      LEU   8   2.698  -6.474  -2.582
   89    H    GLU   9           HN       GLU   9   1.966  -0.251  -2.614
   90    HA   GLU   9           HA       GLU   9   3.435  -0.142  -0.194
   91   1HB   GLU   9          HB2       GLU   9   2.486   1.881  -2.189
   92   2HB   GLU   9          HB1       GLU   9   3.116   2.436  -0.643
   93   1HG   GLU   9          HG2       GLU   9   4.698   0.501  -2.267
   94   2HG   GLU   9          HG1       GLU   9   4.686   2.209  -2.704
   95    H    LYS  10           HN       LYS  10   0.112   0.436  -1.034
   96    HA   LYS  10           HA       LYS  10  -0.609   1.883   1.305
   97   1HB   LYS  10          HB2       LYS  10  -1.875   1.562  -0.978
   98   2HB   LYS  10          HB1       LYS  10  -2.557   0.155  -0.174
   99   1HG   LYS  10          HG2       LYS  10  -3.571   1.482   1.497
  100   2HG   LYS  10          HG1       LYS  10  -2.659   2.912   1.012
  101   1HD   LYS  10          HD2       LYS  10  -3.906   3.175  -0.959
  102   2HD   LYS  10          HD1       LYS  10  -4.548   1.533  -0.871
  103   1HE   LYS  10          HE2       LYS  10  -6.370   2.643  -0.097
  104   2HE   LYS  10          HE1       LYS  10  -5.509   2.463   1.431
  105   1HZ   LYS  10          HZ1       LYS  10  -4.853   4.824  -0.130
  106   2HZ   LYS  10          HZ2       LYS  10  -5.065   4.654   1.539
  107   3HZ   LYS  10          HZ3       LYS  10  -6.412   4.788   0.526
  108    H    LEU  11           HN       LEU  11  -0.572  -1.532   0.411
  109    HA   LEU  11           HA       LEU  11  -1.867  -2.493   2.734
  110   1HB   LEU  11          HB2       LEU  11  -0.950  -3.605   0.391
  111   2HB   LEU  11          HB1       LEU  11   0.160  -4.268   1.574
  112    HG   LEU  11           HG       LEU  11  -1.812  -5.715   1.093
  113   1HD1  LEU  11          HD11      LEU  11  -2.476  -5.695   3.704
  114   2HD1  LEU  11          HD12      LEU  11  -0.968  -4.782   3.753
  115   3HD1  LEU  11          HD13      LEU  11  -0.993  -6.408   3.071
  116   1HD2  LEU  11          HD21      LEU  11  -3.284  -3.481   1.105
  117   2HD2  LEU  11          HD22      LEU  11  -3.541  -4.001   2.771
  118   3HD2  LEU  11          HD23      LEU  11  -3.957  -5.078   1.437
  119    H    PHE  12           HN       PHE  12   1.477  -1.733   1.972
  120    HA   PHE  12           HA       PHE  12   2.605  -2.882   4.310
  121   1HB   PHE  12          HB2       PHE  12   3.827  -2.193   2.171
  122   2HB   PHE  12          HB1       PHE  12   3.753  -0.544   2.785
  123    HD1  PHE  12           HD1      PHE  12   5.656  -3.489   2.677
  124    HD2  PHE  12           HD2      PHE  12   4.663  -0.227   5.223
  125    HE1  PHE  12           HE1      PHE  12   7.702  -3.891   3.983
  126    HE2  PHE  12           HE2      PHE  12   6.708  -0.622   6.533
  127    HZ   PHE  12           HZ       PHE  12   8.230  -2.456   5.914
  128    H    SER  13           HN       SER  13   1.119   0.189   3.568
  129    HA   SER  13           HA       SER  13   1.983   1.493   5.958
  130   1HB   SER  13          HB2       SER  13  -0.338   2.214   4.158
  131   2HB   SER  13          HB1       SER  13   0.446   3.271   5.332
  132    HG   SER  13           HG       SER  13   1.092   2.914   2.804
  133    H    LYS  14           HN       LYS  14  -0.450  -0.745   5.189
  134    HA   LYS  14           HA       LYS  14  -2.159  -0.066   7.415
  135   1HB   LYS  14          HB2       LYS  14  -2.208  -2.360   5.457
  136   2HB   LYS  14          HB1       LYS  14  -3.388  -2.154   6.744
  137   1HG   LYS  14          HG2       LYS  14  -2.885  -0.213   4.497
  138   2HG   LYS  14          HG1       LYS  14  -4.231  -1.349   4.602
  139   1HD   LYS  14          HD2       LYS  14  -4.697  -0.188   6.878
  140   2HD   LYS  14          HD1       LYS  14  -3.694   1.109   6.225
  141   1HE   LYS  14          HE2       LYS  14  -5.636   1.861   5.379
  142   2HE   LYS  14          HE1       LYS  14  -5.347   0.648   4.134
  143   1HZ   LYS  14          HZ1       LYS  14  -7.014   0.296   6.567
  144   2HZ   LYS  14          HZ2       LYS  14  -6.698  -0.911   5.425
  145   3HZ   LYS  14          HZ3       LYS  14  -7.581   0.461   4.981
  146    H    ILE  15           HN       ILE  15   0.528  -2.064   6.776
  147    HA   ILE  15           HA       ILE  15   0.111  -3.805   9.053
  148    HB   ILE  15           HB       ILE  15   2.579  -3.553   7.332
  149   1HG1  ILE  15          HG12      ILE  15   0.566  -5.742   7.005
  150   2HG1  ILE  15          HG11      ILE  15   0.252  -4.182   6.254
  151   1HG2  ILE  15          HG21      ILE  15   3.168  -5.719   8.172
  152   2HG2  ILE  15          HG22      ILE  15   1.635  -5.854   9.033
  153   3HG2  ILE  15          HG23      ILE  15   2.832  -4.664   9.544
  154   1HD1  ILE  15          HD11      ILE  15   2.792  -4.616   5.454
  155   2HD1  ILE  15          HD12      ILE  15   1.362  -5.080   4.531
  156   3HD1  ILE  15          HD13      ILE  15   2.183  -6.269   5.544
  157    H    GLN  16           HN       GLN  16   1.852  -0.890   8.266
  158    HA   GLN  16           HA       GLN  16   3.325  -0.989  10.793
  159   1HB   GLN  16          HB2       GLN  16   4.171  -0.210   8.364
  160   2HB   GLN  16          HB1       GLN  16   3.597   1.337   8.972
  161   1HG   GLN  16          HG2       GLN  16   5.151   1.383  10.691
  162   2HG   GLN  16          HG1       GLN  16   5.433  -0.355  10.614
  163   1HE2  GLN  16          HE21      GLN  16   5.364   1.973   7.969
  164   2HE2  GLN  16          HE22      GLN  16   7.007   1.748   7.486
  165    H    ASN  17           HN       ASN  17   0.507  -0.682  10.925
  166    HA   ASN  17           HA       ASN  17   0.085   2.140  11.554
  167   1HB   ASN  17          HB2       ASN  17  -1.568   0.137  10.504
  168   2HB   ASN  17          HB1       ASN  17  -2.171   0.414  12.134
  169   1HD2  ASN  17          HD21      ASN  17  -3.250   2.256  12.589
  170   2HD2  ASN  17          HD22      ASN  17  -3.611   3.480  11.425
  171    H    ASP  18           HN       ASP  18  -1.507   2.322  13.590
  172    HA   ASP  18           HA       ASP  18   0.111   1.558  15.836
  173   1HB   ASP  18          HB2       ASP  18  -1.260   3.738  15.499
  174   2HB   ASP  18          HB1       ASP  18  -2.625   2.780  16.065
  175    H    LYS  19           HN       LYS  19  -2.945   0.545  14.442
  176    HA   LYS  19           HA       LYS  19  -3.465  -1.282  16.648
  177   1HB   LYS  19          HB2       LYS  19  -4.999  -0.457  14.201
  178   2HB   LYS  19          HB1       LYS  19  -5.471  -1.881  15.118
  179   1HG   LYS  19          HG2       LYS  19  -6.540  -0.627  16.591
  180   2HG   LYS  19          HG1       LYS  19  -5.074   0.299  16.919
  181   1HD   LYS  19          HD2       LYS  19  -6.889   0.828  14.572
  182   2HD   LYS  19          HD1       LYS  19  -7.042   1.649  16.126
  183   1HE   LYS  19          HE2       LYS  19  -4.328   1.816  15.380
  184   2HE   LYS  19          HE1       LYS  19  -5.273   2.215  13.946
  185   1HZ   LYS  19          HZ1       LYS  19  -6.519   3.817  15.348
  186   2HZ   LYS  19          HZ2       LYS  19  -4.883   4.205  15.165
  187   3HZ   LYS  19          HZ3       LYS  19  -5.431   3.515  16.608
  188   1HN   NH2  20          NH1       NH2  20  -2.393  -1.321  13.332
  189   2HN   NH2  20          NH2       NH2  20  -2.066  -3.014  13.239
  Start of MODEL   18
    1   1H    ALA   1          HT1       ALA   1  -4.497  -0.348 -14.906
    2   2H    ALA   1          HT2       ALA   1  -3.618  -0.979 -16.238
    3   3H    ALA   1          HT3       ALA   1  -4.548   0.452 -16.421
    4    HA   ALA   1           HA       ALA   1  -2.423   1.207 -16.260
    5   1HB   ALA   1          HB1       ALA   1  -3.460   2.665 -14.872
    6   2HB   ALA   1          HB2       ALA   1  -2.366   1.942 -13.693
    7   3HB   ALA   1          HB3       ALA   1  -4.040   1.397 -13.792
    8    H    LYS   2           HN       LYS   2  -0.329   0.738 -15.973
    9    HA   LYS   2           HA       LYS   2   0.329  -1.683 -14.481
   10   1HB   LYS   2          HB2       LYS   2   1.084  -1.264 -16.880
   11   2HB   LYS   2          HB1       LYS   2   2.191  -0.070 -16.218
   12   1HG   LYS   2          HG2       LYS   2   3.116  -1.907 -14.762
   13   2HG   LYS   2          HG1       LYS   2   2.167  -3.034 -15.734
   14   1HD   LYS   2          HD2       LYS   2   4.023  -3.122 -17.006
   15   2HD   LYS   2          HD1       LYS   2   3.410  -1.607 -17.673
   16   1HE   LYS   2          HE2       LYS   2   4.722  -0.576 -15.633
   17   2HE   LYS   2          HE1       LYS   2   5.633  -2.081 -15.748
   18   1HZ   LYS   2          HZ1       LYS   2   6.532  -1.495 -17.727
   19   2HZ   LYS   2          HZ2       LYS   2   6.284   0.063 -17.118
   20   3HZ   LYS   2          HZ3       LYS   2   5.185  -0.597 -18.222
   21    H    LYS   3           HN       LYS   3  -0.317   0.304 -12.769
   22    HA   LYS   3           HA       LYS   3   2.219   0.759 -11.407
   23   1HB   LYS   3          HB2       LYS   3   1.776   2.796 -12.827
   24   2HB   LYS   3          HB1       LYS   3   0.309   3.057 -11.893
   25   1HG   LYS   3          HG2       LYS   3   1.587   4.334 -10.590
   26   2HG   LYS   3          HG1       LYS   3   2.194   2.813  -9.932
   27   1HD   LYS   3          HD2       LYS   3   4.160   2.927 -11.122
   28   2HD   LYS   3          HD1       LYS   3   3.456   3.927 -12.393
   29   1HE   LYS   3          HE2       LYS   3   5.039   5.200 -11.037
   30   2HE   LYS   3          HE1       LYS   3   3.402   5.835 -10.877
   31   1HZ   LYS   3          HZ1       LYS   3   3.487   4.088  -8.857
   32   2HZ   LYS   3          HZ2       LYS   3   3.869   5.728  -8.700
   33   3HZ   LYS   3          HZ3       LYS   3   5.103   4.589  -8.894
   34    H    VAL   4           HN       VAL   4   0.152  -1.009 -10.861
   35    HA   VAL   4           HA       VAL   4  -1.546   0.012  -8.798
   36    HB   VAL   4           HB       VAL   4  -2.122  -2.084  -9.943
   37   1HG1  VAL   4          HG11      VAL   4  -0.630  -4.090  -8.918
   38   2HG1  VAL   4          HG12      VAL   4   0.590  -2.827  -9.078
   39   3HG1  VAL   4          HG13      VAL   4  -0.336  -3.342 -10.487
   40   1HG2  VAL   4          HG21      VAL   4  -1.600  -3.114  -7.233
   41   2HG2  VAL   4          HG22      VAL   4  -3.113  -2.984  -8.128
   42   3HG2  VAL   4          HG23      VAL   4  -2.445  -1.568  -7.316
   43    H    PHE   5           HN       PHE   5   1.672  -0.471  -9.125
   44    HA   PHE   5           HA       PHE   5   2.713  -1.483  -6.834
   45   1HB   PHE   5          HB2       PHE   5   3.939  -0.742  -8.883
   46   2HB   PHE   5          HB1       PHE   5   3.720   0.919  -8.359
   47    HD1  PHE   5           HD1      PHE   5   5.495   1.908  -7.296
   48    HD2  PHE   5           HD2      PHE   5   4.988  -2.304  -6.954
   49    HE1  PHE   5           HE1      PHE   5   7.570   1.769  -5.981
   50    HE2  PHE   5           HE2      PHE   5   7.062  -2.450  -5.638
   51    HZ   PHE   5           HZ       PHE   5   8.356  -0.412  -5.149
   52    H    LYS   6           HN       LYS   6   1.068   1.466  -7.273
   53    HA   LYS   6           HA       LYS   6   2.004   2.812  -4.948
   54   1HB   LYS   6          HB2       LYS   6   0.485   3.539  -7.119
   55   2HB   LYS   6          HB1       LYS   6  -0.716   3.483  -5.837
   56   1HG   LYS   6          HG2       LYS   6   0.040   5.690  -5.852
   57   2HG   LYS   6          HG1       LYS   6   0.885   4.940  -4.497
   58   1HD   LYS   6          HD2       LYS   6   2.915   5.014  -5.544
   59   2HD   LYS   6          HD1       LYS   6   2.208   4.889  -7.156
   60   1HE   LYS   6          HE2       LYS   6   2.554   7.079  -7.359
   61   2HE   LYS   6          HE1       LYS   6   1.261   7.307  -6.183
   62   1HZ   LYS   6          HZ1       LYS   6   2.718   7.767  -4.531
   63   2HZ   LYS   6          HZ2       LYS   6   3.681   8.274  -5.826
   64   3HZ   LYS   6          HZ3       LYS   6   3.927   6.749  -5.136
   65    H    ARG   7           HN       ARG   7  -0.732   0.703  -5.661
   66    HA   ARG   7           HA       ARG   7  -2.045   0.969  -3.185
   67   1HB   ARG   7          HB2       ARG   7  -2.082  -1.012  -5.406
   68   2HB   ARG   7          HB1       ARG   7  -2.751  -1.516  -3.859
   69   1HG   ARG   7          HG2       ARG   7  -4.336   0.290  -3.896
   70   2HG   ARG   7          HG1       ARG   7  -3.603   0.951  -5.359
   71   1HD   ARG   7          HD2       ARG   7  -5.271  -0.200  -6.360
   72   2HD   ARG   7          HD1       ARG   7  -4.128  -1.534  -6.213
   73    HE   ARG   7           HE       ARG   7  -5.499  -1.678  -3.900
   74   1HH1  ARG   7          HH11      ARG   7  -6.522  -1.465  -7.231
   75   2HH1  ARG   7          HH12      ARG   7  -7.986  -2.351  -6.968
   76   1HH2  ARG   7          HH21      ARG   7  -7.424  -2.843  -3.553
   77   2HH2  ARG   7          HH22      ARG   7  -8.498  -3.133  -4.880
   78    H    LEU   8           HN       LEU   8   0.679  -0.948  -4.248
   79    HA   LEU   8           HA       LEU   8   0.765  -2.748  -2.076
   80   1HB   LEU   8          HB2       LEU   8   2.056  -2.765  -4.332
   81   2HB   LEU   8          HB1       LEU   8   3.222  -1.761  -3.490
   82    HG   LEU   8           HG       LEU   8   3.074  -3.748  -1.715
   83   1HD1  LEU   8          HD11      LEU   8   2.795  -5.883  -2.735
   84   2HD1  LEU   8          HD12      LEU   8   2.609  -5.160  -4.333
   85   3HD1  LEU   8          HD13      LEU   8   1.362  -4.925  -3.108
   86   1HD2  LEU   8          HD21      LEU   8   5.098  -4.615  -2.655
   87   2HD2  LEU   8          HD22      LEU   8   5.073  -2.871  -2.915
   88   3HD2  LEU   8          HD23      LEU   8   4.696  -3.967  -4.245
   89    H    GLU   9           HN       GLU   9   1.938   0.524  -2.530
   90    HA   GLU   9           HA       GLU   9   3.555   0.592  -0.186
   91   1HB   GLU   9          HB2       GLU   9   3.267   2.237  -2.334
   92   2HB   GLU   9          HB1       GLU   9   2.367   3.131  -1.118
   93   1HG   GLU   9          HG2       GLU   9   4.268   3.275   0.301
   94   2HG   GLU   9          HG1       GLU   9   5.174   2.144  -0.703
   95    H    LYS  10           HN       LYS  10   0.179   1.240  -0.880
   96    HA   LYS  10           HA       LYS  10  -0.405   2.455   1.626
   97   1HB   LYS  10          HB2       LYS  10  -2.534   2.663   0.849
   98   2HB   LYS  10          HB1       LYS  10  -1.764   2.308  -0.688
   99   1HG   LYS  10          HG2       LYS  10  -2.317  -0.181   0.021
  100   2HG   LYS  10          HG1       LYS  10  -3.561   0.632   0.971
  101   1HD   LYS  10          HD2       LYS  10  -3.326   1.580  -1.795
  102   2HD   LYS  10          HD1       LYS  10  -3.823  -0.106  -1.640
  103   1HE   LYS  10          HE2       LYS  10  -5.890   0.643  -1.292
  104   2HE   LYS  10          HE1       LYS  10  -5.327   1.235   0.270
  105   1HZ   LYS  10          HZ1       LYS  10  -4.895   2.913  -2.093
  106   2HZ   LYS  10          HZ2       LYS  10  -5.174   3.365  -0.487
  107   3HZ   LYS  10          HZ3       LYS  10  -6.457   2.827  -1.449
  108    H    LEU  11           HN       LEU  11  -0.254  -0.824   0.439
  109    HA   LEU  11           HA       LEU  11  -1.602  -2.071   2.592
  110   1HB   LEU  11          HB2       LEU  11  -0.139  -2.874   0.246
  111   2HB   LEU  11          HB1       LEU  11   0.367  -3.842   1.618
  112    HG   LEU  11           HG       LEU  11  -1.404  -4.988   0.469
  113   1HD1  LEU  11          HD11      LEU  11  -2.715  -3.808   2.894
  114   2HD1  LEU  11          HD12      LEU  11  -1.323  -4.882   3.024
  115   3HD1  LEU  11          HD13      LEU  11  -2.812  -5.455   2.272
  116   1HD2  LEU  11          HD21      LEU  11  -3.638  -3.999   0.232
  117   2HD2  LEU  11          HD22      LEU  11  -2.418  -3.098  -0.668
  118   3HD2  LEU  11          HD23      LEU  11  -3.022  -2.474   0.867
  119    H    PHE  12           HN       PHE  12   1.715  -1.034   2.079
  120    HA   PHE  12           HA       PHE  12   2.858  -2.376   4.289
  121   1HB   PHE  12          HB2       PHE  12   4.154  -1.340   2.413
  122   2HB   PHE  12          HB1       PHE  12   3.753   0.245   3.066
  123    HD1  PHE  12           HD1      PHE  12   5.735  -2.788   3.532
  124    HD2  PHE  12           HD2      PHE  12   4.784   1.055   5.093
  125    HE1  PHE  12           HE1      PHE  12   7.704  -2.902   5.003
  126    HE2  PHE  12           HE2      PHE  12   6.752   0.948   6.566
  127    HZ   PHE  12           HZ       PHE  12   8.215  -1.032   6.522
  128    H    SER  13           HN       SER  13   1.133   0.648   3.938
  129    HA   SER  13           HA       SER  13   1.754   1.639   6.534
  130   1HB   SER  13          HB2       SER  13  -0.207   2.379   4.398
  131   2HB   SER  13          HB1       SER  13  -0.414   3.043   6.018
  132    HG   SER  13           HG       SER  13   1.916   3.253   4.408
  133    H    LYS  14           HN       LYS  14  -0.342  -0.746   5.365
  134    HA   LYS  14           HA       LYS  14  -2.211  -0.596   7.558
  135   1HB   LYS  14          HB2       LYS  14  -2.166  -1.827   4.994
  136   2HB   LYS  14          HB1       LYS  14  -2.390  -3.095   6.191
  137   1HG   LYS  14          HG2       LYS  14  -4.059  -0.606   6.212
  138   2HG   LYS  14          HG1       LYS  14  -4.471  -1.997   5.207
  139   1HD   LYS  14          HD2       LYS  14  -5.134  -3.236   6.971
  140   2HD   LYS  14          HD1       LYS  14  -3.853  -2.618   8.015
  141   1HE   LYS  14          HE2       LYS  14  -6.040  -0.763   7.241
  142   2HE   LYS  14          HE1       LYS  14  -6.406  -2.025   8.417
  143   1HZ   LYS  14          HZ1       LYS  14  -5.132  -1.059   9.981
  144   2HZ   LYS  14          HZ2       LYS  14  -5.401   0.343   9.074
  145   3HZ   LYS  14          HZ3       LYS  14  -3.962  -0.525   8.881
  146    H    ILE  15           HN       ILE  15   0.773  -2.076   6.872
  147    HA   ILE  15           HA       ILE  15   0.504  -4.171   8.855
  148    HB   ILE  15           HB       ILE  15   3.022  -3.305   7.437
  149   1HG1  ILE  15          HG12      ILE  15   1.177  -5.536   6.583
  150   2HG1  ILE  15          HG11      ILE  15   1.074  -3.913   5.908
  151   1HG2  ILE  15          HG21      ILE  15   2.554  -6.107   8.221
  152   2HG2  ILE  15          HG22      ILE  15   2.787  -4.962   9.542
  153   3HG2  ILE  15          HG23      ILE  15   4.023  -5.135   8.296
  154   1HD1  ILE  15          HD11      ILE  15   3.355  -5.852   5.704
  155   2HD1  ILE  15          HD12      ILE  15   3.483  -4.153   5.246
  156   3HD1  ILE  15          HD13      ILE  15   2.349  -5.210   4.405
  157    H    GLN  16           HN       GLN  16   1.835  -0.956   8.595
  158    HA   GLN  16           HA       GLN  16   3.140  -1.187  11.200
  159   1HB   GLN  16          HB2       GLN  16   4.300  -0.087   9.268
  160   2HB   GLN  16          HB1       GLN  16   3.085   1.183   9.328
  161   1HG   GLN  16          HG2       GLN  16   3.825   1.939  11.426
  162   2HG   GLN  16          HG1       GLN  16   4.783   0.484  11.700
  163   1HE2  GLN  16          HE21      GLN  16   5.506   3.356  11.682
  164   2HE2  GLN  16          HE22      GLN  16   6.809   3.490  10.556
  165    H    ASN  17           HN       ASN  17   0.254   0.022   9.767
  166    HA   ASN  17           HA       ASN  17  -0.317   1.765  12.040
  167   1HB   ASN  17          HB2       ASN  17  -0.801   2.543   9.721
  168   2HB   ASN  17          HB1       ASN  17  -1.987   1.250   9.571
  169   1HD2  ASN  17          HD21      ASN  17  -3.979   1.905   9.851
  170   2HD2  ASN  17          HD22      ASN  17  -4.504   3.173  10.901
  171    H    ASP  18           HN       ASP  18  -0.154  -1.048  12.530
  172    HA   ASP  18           HA       ASP  18  -2.930  -1.889  12.874
  173   1HB   ASP  18          HB2       ASP  18  -0.786  -3.330  12.114
  174   2HB   ASP  18          HB1       ASP  18  -0.715  -3.602  13.852
  175    H    LYS  19           HN       LYS  19  -1.775   0.315  14.439
  176    HA   LYS  19           HA       LYS  19  -1.298  -0.659  17.089
  177   1HB   LYS  19          HB2       LYS  19  -0.852   1.727  15.772
  178   2HB   LYS  19          HB1       LYS  19  -2.156   2.130  16.880
  179   1HG   LYS  19          HG2       LYS  19  -0.707   1.023  18.681
  180   2HG   LYS  19          HG1       LYS  19   0.604   1.152  17.506
  181   1HD   LYS  19          HD2       LYS  19   0.095   3.599  17.339
  182   2HD   LYS  19          HD1       LYS  19  -1.032   3.395  18.681
  183   1HE   LYS  19          HE2       LYS  19   0.887   2.452  20.006
  184   2HE   LYS  19          HE1       LYS  19   1.948   2.961  18.693
  185   1HZ   LYS  19          HZ1       LYS  19   2.075   4.827  19.914
  186   2HZ   LYS  19          HZ2       LYS  19   0.614   4.551  20.719
  187   3HZ   LYS  19          HZ3       LYS  19   0.609   5.215  19.163
  188   1HN   NH2  20          NH1       NH2  20  -3.891   1.426  15.835
  189   2HN   NH2  20          NH2       NH2  20  -5.128   0.811  16.872
  Start of MODEL   19
    1   1H    ALA   1          HT1       ALA   1  -3.262  -0.941 -16.230
    2   2H    ALA   1          HT2       ALA   1  -1.739  -0.952 -17.021
    3   3H    ALA   1          HT3       ALA   1  -2.895   0.260 -17.396
    4    HA   ALA   1           HA       ALA   1  -1.441   1.336 -16.053
    5   1HB   ALA   1          HB1       ALA   1  -3.576   1.856 -15.253
    6   2HB   ALA   1          HB2       ALA   1  -2.652   1.460 -13.804
    7   3HB   ALA   1          HB3       ALA   1  -3.771   0.280 -14.485
    8    H    LYS   2           HN       LYS   2   0.578   0.662 -15.622
    9    HA   LYS   2           HA       LYS   2   0.963  -1.560 -13.751
   10   1HB   LYS   2          HB2       LYS   2   2.130  -1.567 -15.977
   11   2HB   LYS   2          HB1       LYS   2   3.044  -0.164 -15.439
   12   1HG   LYS   2          HG2       LYS   2   4.427  -1.394 -14.187
   13   2HG   LYS   2          HG1       LYS   2   3.122  -2.410 -13.571
   14   1HD   LYS   2          HD2       LYS   2   3.212  -3.842 -15.429
   15   2HD   LYS   2          HD1       LYS   2   4.140  -2.683 -16.384
   16   1HE   LYS   2          HE2       LYS   2   6.089  -3.037 -15.045
   17   2HE   LYS   2          HE1       LYS   2   5.180  -4.007 -13.886
   18   1HZ   LYS   2          HZ1       LYS   2   6.120  -5.649 -15.116
   19   2HZ   LYS   2          HZ2       LYS   2   6.181  -4.731 -16.536
   20   3HZ   LYS   2          HZ3       LYS   2   4.720  -5.423 -16.039
   21    H    LYS   3           HN       LYS   3   0.030   0.666 -12.516
   22    HA   LYS   3           HA       LYS   3   2.361   1.484 -10.929
   23   1HB   LYS   3          HB2       LYS   3   1.462   3.790 -10.777
   24   2HB   LYS   3          HB1       LYS   3   1.944   3.360 -12.412
   25   1HG   LYS   3          HG2       LYS   3  -0.066   3.889 -13.161
   26   2HG   LYS   3          HG1       LYS   3  -0.795   2.685 -12.098
   27   1HD   LYS   3          HD2       LYS   3  -0.762   4.369 -10.268
   28   2HD   LYS   3          HD1       LYS   3  -0.184   5.563 -11.432
   29   1HE   LYS   3          HE2       LYS   3  -2.514   5.885 -11.296
   30   2HE   LYS   3          HE1       LYS   3  -2.241   5.016 -12.805
   31   1HZ   LYS   3          HZ1       LYS   3  -3.600   4.155 -10.391
   32   2HZ   LYS   3          HZ2       LYS   3  -2.613   2.990 -11.119
   33   3HZ   LYS   3          HZ3       LYS   3  -3.864   3.709 -12.002
   34    H    VAL   4           HN       VAL   4   0.476  -0.514 -10.423
   35    HA   VAL   4           HA       VAL   4  -1.449   0.438  -8.516
   36    HB   VAL   4           HB       VAL   4  -0.307  -2.354  -8.772
   37   1HG1  VAL   4          HG11      VAL   4  -2.640  -2.886  -7.806
   38   2HG1  VAL   4          HG12      VAL   4  -2.650  -1.194  -7.311
   39   3HG1  VAL   4          HG13      VAL   4  -1.392  -2.279  -6.718
   40   1HG2  VAL   4          HG21      VAL   4  -1.273  -1.632 -10.892
   41   2HG2  VAL   4          HG22      VAL   4  -2.765  -1.178 -10.069
   42   3HG2  VAL   4          HG23      VAL   4  -2.274  -2.871 -10.135
   43    H    PHE   5           HN       PHE   5   1.798   0.265  -8.647
   44    HA   PHE   5           HA       PHE   5   2.847  -0.653  -6.345
   45   1HB   PHE   5          HB2       PHE   5   4.096   0.289  -8.259
   46   2HB   PHE   5          HB1       PHE   5   3.575   1.898  -7.783
   47    HD1  PHE   5           HD1      PHE   5   5.152  -1.051  -6.110
   48    HD2  PHE   5           HD2      PHE   5   5.177   3.157  -6.745
   49    HE1  PHE   5           HE1      PHE   5   7.123  -0.847  -4.651
   50    HE2  PHE   5           HE2      PHE   5   7.148   3.369  -5.288
   51    HZ   PHE   5           HZ       PHE   5   8.124   1.366  -4.239
   52    H    LYS   6           HN       LYS   6   0.883   2.108  -6.747
   53    HA   LYS   6           HA       LYS   6   1.532   3.359  -4.259
   54   1HB   LYS   6          HB2       LYS   6  -0.054   3.991  -6.540
   55   2HB   LYS   6          HB1       LYS   6  -1.097   4.091  -5.128
   56   1HG   LYS   6          HG2       LYS   6  -0.245   6.240  -5.361
   57   2HG   LYS   6          HG1       LYS   6   0.750   5.524  -4.092
   58   1HD   LYS   6          HD2       LYS   6   2.070   4.875  -6.448
   59   2HD   LYS   6          HD1       LYS   6   1.512   6.529  -6.705
   60   1HE   LYS   6          HE2       LYS   6   2.696   5.997  -4.065
   61   2HE   LYS   6          HE1       LYS   6   3.808   5.864  -5.426
   62   1HZ   LYS   6          HZ1       LYS   6   3.749   8.107  -4.504
   63   2HZ   LYS   6          HZ2       LYS   6   2.096   8.219  -4.844
   64   3HZ   LYS   6          HZ3       LYS   6   3.211   8.090  -6.108
   65    H    ARG   7           HN       ARG   7  -1.086   1.273  -5.412
   66    HA   ARG   7           HA       ARG   7  -2.486   1.194  -2.951
   67   1HB   ARG   7          HB2       ARG   7  -2.514  -0.393  -5.474
   68   2HB   ARG   7          HB1       ARG   7  -3.239  -1.117  -4.045
   69   1HG   ARG   7          HG2       ARG   7  -4.633   0.951  -3.814
   70   2HG   ARG   7          HG1       ARG   7  -4.014   1.459  -5.387
   71   1HD   ARG   7          HD2       ARG   7  -5.075  -0.291  -6.505
   72   2HD   ARG   7          HD1       ARG   7  -5.286  -1.230  -5.028
   73    HE   ARG   7           HE       ARG   7  -7.018   0.831  -6.038
   74   1HH1  ARG   7          HH11      ARG   7  -5.994  -0.907  -3.190
   75   2HH1  ARG   7          HH12      ARG   7  -7.459  -0.599  -2.322
   76   1HH2  ARG   7          HH21      ARG   7  -8.946   1.240  -4.898
   77   2HH2  ARG   7          HH22      ARG   7  -9.137   0.620  -3.292
   78    H    LEU   8           HN       LEU   8   0.240  -0.539  -4.270
   79    HA   LEU   8           HA       LEU   8   0.257  -2.691  -2.430
   80   1HB   LEU   8          HB2       LEU   8   1.586  -2.271  -4.675
   81   2HB   LEU   8          HB1       LEU   8   2.785  -1.599  -3.587
   82    HG   LEU   8           HG       LEU   8   2.186  -4.024  -2.411
   83   1HD1  LEU   8          HD11      LEU   8   1.041  -5.116  -4.046
   84   2HD1  LEU   8          HD12      LEU   8   2.686  -5.487  -4.561
   85   3HD1  LEU   8          HD13      LEU   8   1.788  -4.188  -5.346
   86   1HD2  LEU   8          HD21      LEU   8   4.381  -3.193  -4.294
   87   2HD2  LEU   8          HD22      LEU   8   4.393  -4.720  -3.412
   88   3HD2  LEU   8          HD23      LEU   8   4.400  -3.193  -2.530
   89    H    GLU   9           HN       GLU   9   1.545   0.580  -2.378
   90    HA   GLU   9           HA       GLU   9   3.120   0.230  -0.028
   91   1HB   GLU   9          HB2       GLU   9   3.356   2.087  -1.749
   92   2HB   GLU   9          HB1       GLU   9   1.936   2.825  -1.021
   93   1HG   GLU   9          HG2       GLU   9   3.300   3.863   0.376
   94   2HG   GLU   9          HG1       GLU   9   3.622   2.298   1.121
   95    H    LYS  10           HN       LYS  10  -0.215   1.064  -0.676
   96    HA   LYS  10           HA       LYS  10  -0.838   1.939   1.963
   97   1HB   LYS  10          HB2       LYS  10  -2.233   1.582  -0.542
   98   2HB   LYS  10          HB1       LYS  10  -3.189   0.933   0.783
   99   1HG   LYS  10          HG2       LYS  10  -3.604   2.963   1.656
  100   2HG   LYS  10          HG1       LYS  10  -2.000   3.581   1.259
  101   1HD   LYS  10          HD2       LYS  10  -3.172   4.800  -0.247
  102   2HD   LYS  10          HD1       LYS  10  -3.007   3.334  -1.215
  103   1HE   LYS  10          HE2       LYS  10  -5.199   2.573  -0.395
  104   2HE   LYS  10          HE1       LYS  10  -5.362   4.071   0.520
  105   1HZ   LYS  10          HZ1       LYS  10  -6.340   3.757  -1.915
  106   2HZ   LYS  10          HZ2       LYS  10  -4.806   4.340  -2.325
  107   3HZ   LYS  10          HZ3       LYS  10  -5.819   5.257  -1.328
  108    H    LEU  11           HN       LEU  11  -0.791  -1.150   0.318
  109    HA   LEU  11           HA       LEU  11  -2.204  -2.596   2.320
  110   1HB   LEU  11          HB2       LEU  11  -0.797  -3.181  -0.161
  111   2HB   LEU  11          HB1       LEU  11  -0.523  -4.414   1.055
  112    HG   LEU  11           HG       LEU  11  -3.123  -4.372   1.304
  113   1HD1  LEU  11          HD11      LEU  11  -2.640  -2.903  -1.245
  114   2HD1  LEU  11          HD12      LEU  11  -3.863  -2.635  -0.003
  115   3HD1  LEU  11          HD13      LEU  11  -4.023  -3.990  -1.120
  116   1HD2  LEU  11          HD21      LEU  11  -3.186  -5.908  -0.818
  117   2HD2  LEU  11          HD22      LEU  11  -2.255  -6.379   0.604
  118   3HD2  LEU  11          HD23      LEU  11  -1.439  -5.666  -0.788
  119    H    PHE  12           HN       PHE  12   1.162  -1.759   1.784
  120    HA   PHE  12           HA       PHE  12   2.227  -3.487   3.777
  121   1HB   PHE  12          HB2       PHE  12   3.479  -2.332   1.851
  122   2HB   PHE  12          HB1       PHE  12   3.487  -0.900   2.874
  123    HD1  PHE  12           HD1      PHE  12   3.981  -4.495   3.712
  124    HD2  PHE  12           HD2      PHE  12   5.662  -0.587   3.574
  125    HE1  PHE  12           HE1      PHE  12   5.998  -5.327   4.849
  126    HE2  PHE  12           HE2      PHE  12   7.683  -1.412   4.710
  127    HZ   PHE  12           HZ       PHE  12   7.853  -3.785   5.349
  128    H    SER  13           HN       SER  13   0.871  -0.265   3.775
  129    HA   SER  13           HA       SER  13   1.742   0.374   6.426
  130   1HB   SER  13          HB2       SER  13   0.074   1.660   4.350
  131   2HB   SER  13          HB1       SER  13  -0.322   2.082   6.015
  132    HG   SER  13           HG       SER  13   1.878   2.669   6.296
  133    H    LYS  14           HN       LYS  14  -0.739  -1.510   5.102
  134    HA   LYS  14           HA       LYS  14  -2.505  -1.285   7.378
  135   1HB   LYS  14          HB2       LYS  14  -2.587  -2.646   4.745
  136   2HB   LYS  14          HB1       LYS  14  -3.510  -3.386   6.045
  137   1HG   LYS  14          HG2       LYS  14  -3.797  -0.562   5.042
  138   2HG   LYS  14          HG1       LYS  14  -4.908  -1.901   4.747
  139   1HD   LYS  14          HD2       LYS  14  -4.456  -1.643   7.564
  140   2HD   LYS  14          HD1       LYS  14  -4.914  -0.074   6.899
  141   1HE   LYS  14          HE2       LYS  14  -6.950  -0.905   6.064
  142   2HE   LYS  14          HE1       LYS  14  -6.439  -2.581   6.257
  143   1HZ   LYS  14          HZ1       LYS  14  -6.740  -2.491   8.541
  144   2HZ   LYS  14          HZ2       LYS  14  -8.056  -1.603   7.957
  145   3HZ   LYS  14          HZ3       LYS  14  -6.711  -0.800   8.596
  146    H    ILE  15           HN       ILE  15   0.107  -3.217   6.333
  147    HA   ILE  15           HA       ILE  15  -0.460  -5.412   8.138
  148    HB   ILE  15           HB       ILE  15   2.054  -4.900   6.545
  149   1HG1  ILE  15          HG12      ILE  15  -0.062  -6.862   5.743
  150   2HG1  ILE  15          HG11      ILE  15  -0.262  -5.162   5.329
  151   1HG2  ILE  15          HG21      ILE  15   2.195  -7.443   6.778
  152   2HG2  ILE  15          HG22      ILE  15   1.000  -7.263   8.064
  153   3HG2  ILE  15          HG23      ILE  15   2.570  -6.470   8.201
  154   1HD1  ILE  15          HD11      ILE  15   0.756  -5.999   3.452
  155   2HD1  ILE  15          HD12      ILE  15   1.765  -7.120   4.367
  156   3HD1  ILE  15          HD13      ILE  15   2.138  -5.396   4.365
  157    H    GLN  16           HN       GLN  16   1.469  -2.506   8.058
  158    HA   GLN  16           HA       GLN  16   2.656  -3.226  10.654
  159   1HB   GLN  16          HB2       GLN  16   3.927  -2.345   8.400
  160   2HB   GLN  16          HB1       GLN  16   3.693  -0.841   9.279
  161   1HG   GLN  16          HG2       GLN  16   5.501  -1.321  10.454
  162   2HG   GLN  16          HG1       GLN  16   4.617  -2.663  11.177
  163   1HE2  GLN  16          HE21      GLN  16   7.480  -2.238  10.343
  164   2HE2  GLN  16          HE22      GLN  16   7.854  -3.621   9.378
  165    H    ASN  17           HN       ASN  17  -0.033  -2.337  10.450
  166    HA   ASN  17           HA       ASN  17  -0.391   0.402  10.883
  167   1HB   ASN  17          HB2       ASN  17  -2.524  -0.262  11.989
  168   2HB   ASN  17          HB1       ASN  17  -2.282  -1.035  10.425
  169   1HD2  ASN  17          HD21      ASN  17  -3.898  -1.812  12.766
  170   2HD2  ASN  17          HD22      ASN  17  -3.384  -3.412  13.167
  171    H    ASP  18           HN       ASP  18   0.354   1.656  12.447
  172    HA   ASP  18           HA       ASP  18   1.280   0.472  14.941
  173   1HB   ASP  18          HB2       ASP  18   2.157   2.796  15.370
  174   2HB   ASP  18          HB1       ASP  18   2.816   2.009  13.939
  175    H    LYS  19           HN       LYS  19  -0.951   3.017  13.861
  176    HA   LYS  19           HA       LYS  19  -2.113   3.093  16.553
  177   1HB   LYS  19          HB2       LYS  19  -1.548   5.093  14.625
  178   2HB   LYS  19          HB1       LYS  19  -3.297   5.011  14.781
  179   1HG   LYS  19          HG2       LYS  19  -2.441   6.646  16.311
  180   2HG   LYS  19          HG1       LYS  19  -3.053   5.267  17.226
  181   1HD   LYS  19          HD2       LYS  19  -0.902   4.512  17.750
  182   2HD   LYS  19          HD1       LYS  19  -0.157   5.472  16.470
  183   1HE   LYS  19          HE2       LYS  19  -0.969   7.514  17.765
  184   2HE   LYS  19          HE1       LYS  19  -1.274   6.403  19.100
  185   1HZ   LYS  19          HZ1       LYS  19   1.357   6.249  17.867
  186   2HZ   LYS  19          HZ2       LYS  19   0.916   6.136  19.496
  187   3HZ   LYS  19          HZ3       LYS  19   1.033   7.652  18.756
  188   1HN   NH2  20          NH1       NH2  20  -4.017   2.207  16.958
  189   2HN   NH2  20          NH2       NH2  20  -5.160   1.664  15.782
  Start of MODEL   20
    1   1H    ALA   1          HT1       ALA   1   0.295   2.268 -16.381
    2   2H    ALA   1          HT2       ALA   1  -0.354   2.335 -14.794
    3   3H    ALA   1          HT3       ALA   1  -1.220   3.022 -16.107
    4    HA   ALA   1           HA       ALA   1  -2.290   1.070 -15.727
    5   1HB   ALA   1          HB1       ALA   1  -1.356  -0.459 -17.625
    6   2HB   ALA   1          HB2       ALA   1  -0.299   0.916 -17.944
    7   3HB   ALA   1          HB3       ALA   1  -2.050   1.115 -18.015
    8    H    LYS   2           HN       LYS   2   1.134   0.147 -16.144
    9    HA   LYS   2           HA       LYS   2   0.697  -2.158 -14.408
   10   1HB   LYS   2          HB2       LYS   2   2.936  -2.866 -15.131
   11   2HB   LYS   2          HB1       LYS   2   1.884  -2.542 -16.503
   12   1HG   LYS   2          HG2       LYS   2   3.114  -0.121 -16.094
   13   2HG   LYS   2          HG1       LYS   2   4.389  -1.284 -15.727
   14   1HD   LYS   2          HD2       LYS   2   2.771  -1.779 -18.159
   15   2HD   LYS   2          HD1       LYS   2   3.891  -0.416 -18.204
   16   1HE   LYS   2          HE2       LYS   2   4.748  -3.146 -17.294
   17   2HE   LYS   2          HE1       LYS   2   4.751  -2.691 -18.998
   18   1HZ   LYS   2          HZ1       LYS   2   6.137  -0.718 -18.250
   19   2HZ   LYS   2          HZ2       LYS   2   6.895  -2.230 -18.245
   20   3HZ   LYS   2          HZ3       LYS   2   6.356  -1.550 -16.793
   21    H    LYS   3           HN       LYS   3   0.459   0.111 -12.965
   22    HA   LYS   3           HA       LYS   3   2.837  -0.008 -11.249
   23   1HB   LYS   3          HB2       LYS   3   2.849   2.043 -12.818
   24   2HB   LYS   3          HB1       LYS   3   1.511   2.635 -11.844
   25   1HG   LYS   3          HG2       LYS   3   3.090   3.581 -10.587
   26   2HG   LYS   3          HG1       LYS   3   3.343   1.961  -9.936
   27   1HD   LYS   3          HD2       LYS   3   5.304   1.685 -11.030
   28   2HD   LYS   3          HD1       LYS   3   4.756   2.574 -12.453
   29   1HE   LYS   3          HE2       LYS   3   5.571   4.529 -11.698
   30   2HE   LYS   3          HE1       LYS   3   5.073   4.208 -10.037
   31   1HZ   LYS   3          HZ1       LYS   3   6.996   2.642  -9.910
   32   2HZ   LYS   3          HZ2       LYS   3   7.425   4.269 -10.075
   33   3HZ   LYS   3          HZ3       LYS   3   7.515   3.232 -11.408
   34    H    VAL   4           HN       VAL   4   0.403  -1.301 -10.929
   35    HA   VAL   4           HA       VAL   4  -1.282   0.114  -9.105
   36    HB   VAL   4           HB       VAL   4  -0.925  -2.885  -9.260
   37   1HG1  VAL   4          HG11      VAL   4  -3.123  -1.104  -8.234
   38   2HG1  VAL   4          HG12      VAL   4  -2.171  -2.285  -7.336
   39   3HG1  VAL   4          HG13      VAL   4  -3.341  -2.827  -8.539
   40   1HG2  VAL   4          HG21      VAL   4  -2.417  -1.010 -11.042
   41   2HG2  VAL   4          HG22      VAL   4  -3.060  -2.625 -10.740
   42   3HG2  VAL   4          HG23      VAL   4  -1.460  -2.432 -11.456
   43    H    PHE   5           HN       PHE   5   1.793  -1.002  -9.025
   44    HA   PHE   5           HA       PHE   5   2.343  -2.095  -6.608
   45   1HB   PHE   5          HB2       PHE   5   3.928  -1.681  -8.492
   46   2HB   PHE   5          HB1       PHE   5   3.960   0.016  -8.038
   47    HD1  PHE   5           HD1      PHE   5   5.416   0.789  -6.374
   48    HD2  PHE   5           HD2      PHE   5   4.755  -3.392  -6.815
   49    HE1  PHE   5           HE1      PHE   5   7.251   0.337  -4.799
   50    HE2  PHE   5           HE2      PHE   5   6.589  -3.852  -5.240
   51    HZ   PHE   5           HZ       PHE   5   7.839  -1.986  -4.229
   52    H    LYS   6           HN       LYS   6   1.353   1.090  -7.295
   53    HA   LYS   6           HA       LYS   6   2.239   2.335  -4.898
   54   1HB   LYS   6          HB2       LYS   6   1.536   3.497  -7.056
   55   2HB   LYS   6          HB1       LYS   6  -0.126   3.193  -6.567
   56   1HG   LYS   6          HG2       LYS   6   1.088   4.361  -4.343
   57   2HG   LYS   6          HG1       LYS   6   1.683   5.269  -5.734
   58   1HD   LYS   6          HD2       LYS   6  -0.490   5.870  -6.405
   59   2HD   LYS   6          HD1       LYS   6  -1.235   4.648  -5.372
   60   1HE   LYS   6          HE2       LYS   6   0.103   6.117  -3.535
   61   2HE   LYS   6          HE1       LYS   6  -0.285   7.358  -4.725
   62   1HZ   LYS   6          HZ1       LYS   6  -1.942   6.688  -2.799
   63   2HZ   LYS   6          HZ2       LYS   6  -2.432   5.544  -3.944
   64   3HZ   LYS   6          HZ3       LYS   6  -2.491   7.192  -4.318
   65    H    ARG   7           HN       ARG   7  -0.680   0.639  -5.880
   66    HA   ARG   7           HA       ARG   7  -2.253   1.267  -3.626
   67   1HB   ARG   7          HB2       ARG   7  -2.290  -0.978  -5.623
   68   2HB   ARG   7          HB1       ARG   7  -3.379  -0.989  -4.242
   69   1HG   ARG   7          HG2       ARG   7  -3.241   1.404  -6.026
   70   2HG   ARG   7          HG1       ARG   7  -4.183  -0.011  -6.498
   71   1HD   ARG   7          HD2       ARG   7  -5.833   0.539  -5.110
   72   2HD   ARG   7          HD1       ARG   7  -4.715   0.703  -3.756
   73    HE   ARG   7           HE       ARG   7  -4.773   2.969  -4.038
   74   1HH1  ARG   7          HH11      ARG   7  -5.989   1.456  -6.939
   75   2HH1  ARG   7          HH12      ARG   7  -6.484   2.950  -7.660
   76   1HH2  ARG   7          HH21      ARG   7  -5.423   4.935  -4.986
   77   2HH2  ARG   7          HH22      ARG   7  -6.162   4.926  -6.552
   78    H    LEU   8           HN       LEU   8   0.207  -1.154  -4.238
   79    HA   LEU   8           HA       LEU   8  -0.262  -2.779  -1.985
   80   1HB   LEU   8          HB2       LEU   8   1.417  -2.905  -4.113
   81   2HB   LEU   8          HB1       LEU   8   2.540  -2.434  -2.852
   82    HG   LEU   8           HG       LEU   8   1.976  -4.399  -1.549
   83   1HD1  LEU   8          HD11      LEU   8  -0.161  -4.680  -3.601
   84   2HD1  LEU   8          HD12      LEU   8  -0.232  -4.916  -1.855
   85   3HD1  LEU   8          HD13      LEU   8   0.523  -6.136  -2.879
   86   1HD2  LEU   8          HD21      LEU   8   2.780  -4.742  -4.403
   87   2HD2  LEU   8          HD22      LEU   8   2.576  -6.162  -3.376
   88   3HD2  LEU   8          HD23      LEU   8   3.742  -4.914  -2.935
   89    H    GLU   9           HN       GLU   9   1.654   0.146  -2.462
   90    HA   GLU   9           HA       GLU   9   2.912   0.142   0.068
   91   1HB   GLU   9          HB2       GLU   9   3.056   1.710  -2.195
   92   2HB   GLU   9          HB1       GLU   9   2.308   2.795  -1.031
   93   1HG   GLU   9          HG2       GLU   9   4.147   2.776   0.369
   94   2HG   GLU   9          HG1       GLU   9   4.761   1.261  -0.291
   95    H    LYS  10           HN       LYS  10  -0.214   1.224  -1.062
   96    HA   LYS  10           HA       LYS  10  -0.925   2.745   1.219
   97   1HB   LYS  10          HB2       LYS  10  -2.341   1.588  -1.118
   98   2HB   LYS  10          HB1       LYS  10  -3.326   1.931   0.298
   99   1HG   LYS  10          HG2       LYS  10  -1.577   4.143  -0.302
  100   2HG   LYS  10          HG1       LYS  10  -2.564   3.710  -1.699
  101   1HD   LYS  10          HD2       LYS  10  -4.417   3.608   0.267
  102   2HD   LYS  10          HD1       LYS  10  -3.348   4.864   0.897
  103   1HE   LYS  10          HE2       LYS  10  -5.096   5.870  -0.437
  104   2HE   LYS  10          HE1       LYS  10  -3.541   6.066  -1.245
  105   1HZ   LYS  10          HZ1       LYS  10  -4.074   4.417  -2.802
  106   2HZ   LYS  10          HZ2       LYS  10  -5.477   5.352  -2.673
  107   3HZ   LYS  10          HZ3       LYS  10  -5.389   3.849  -1.901
  108    H    LEU  11           HN       LEU  11  -1.333  -0.651   0.325
  109    HA   LEU  11           HA       LEU  11  -2.915  -1.409   2.530
  110   1HB   LEU  11          HB2       LEU  11  -2.073  -2.675   0.305
  111   2HB   LEU  11          HB1       LEU  11  -0.955  -3.362   1.467
  112    HG   LEU  11           HG       LEU  11  -3.828  -3.380   2.208
  113   1HD1  LEU  11          HD11      LEU  11  -2.657  -5.143   0.065
  114   2HD1  LEU  11          HD12      LEU  11  -4.021  -4.036  -0.088
  115   3HD1  LEU  11          HD13      LEU  11  -4.163  -5.477   0.919
  116   1HD2  LEU  11          HD21      LEU  11  -2.297  -4.307   3.766
  117   2HD2  LEU  11          HD22      LEU  11  -1.487  -5.246   2.513
  118   3HD2  LEU  11          HD23      LEU  11  -3.129  -5.662   3.003
  119    H    PHE  12           HN       PHE  12   0.534  -0.976   2.111
  120    HA   PHE  12           HA       PHE  12   1.361  -2.271   4.485
  121   1HB   PHE  12          HB2       PHE  12   2.927  -1.702   2.669
  122   2HB   PHE  12          HB1       PHE  12   2.678   0.011   2.991
  123    HD1  PHE  12           HD1      PHE  12   3.980  -3.128   4.454
  124    HD2  PHE  12           HD2      PHE  12   3.919   1.123   4.635
  125    HE1  PHE  12           HE1      PHE  12   5.813  -3.176   6.095
  126    HE2  PHE  12           HE2      PHE  12   5.753   1.083   6.276
  127    HZ   PHE  12           HZ       PHE  12   6.702  -1.069   7.007
  128    H    SER  13           HN       SER  13   0.096   0.907   3.785
  129    HA   SER  13           HA       SER  13   0.802   2.086   6.272
  130   1HB   SER  13          HB2       SER  13  -0.944   2.819   3.980
  131   2HB   SER  13          HB1       SER  13  -1.270   3.610   5.522
  132    HG   SER  13           HG       SER  13   0.280   4.889   4.886
  133    H    LYS  14           HN       LYS  14  -1.597  -0.112   5.303
  134    HA   LYS  14           HA       LYS  14  -3.435   0.490   7.437
  135   1HB   LYS  14          HB2       LYS  14  -3.793  -0.685   5.042
  136   2HB   LYS  14          HB1       LYS  14  -3.597  -2.117   6.043
  137   1HG   LYS  14          HG2       LYS  14  -5.380  -1.063   7.555
  138   2HG   LYS  14          HG1       LYS  14  -5.713  -0.004   6.183
  139   1HD   LYS  14          HD2       LYS  14  -5.573  -2.942   5.716
  140   2HD   LYS  14          HD1       LYS  14  -7.007  -2.281   6.504
  141   1HE   LYS  14          HE2       LYS  14  -5.907  -1.228   3.906
  142   2HE   LYS  14          HE1       LYS  14  -7.137  -2.489   3.996
  143   1HZ   LYS  14          HZ1       LYS  14  -8.509  -0.726   3.902
  144   2HZ   LYS  14          HZ2       LYS  14  -7.363   0.362   4.505
  145   3HZ   LYS  14          HZ3       LYS  14  -8.217  -0.639   5.567
  146    H    ILE  15           HN       ILE  15  -0.652  -1.417   6.989
  147    HA   ILE  15           HA       ILE  15  -1.202  -3.224   9.185
  148    HB   ILE  15           HB       ILE  15   1.418  -2.847   7.736
  149   1HG1  ILE  15          HG12      ILE  15  -0.699  -4.903   7.097
  150   2HG1  ILE  15          HG11      ILE  15  -0.569  -3.373   6.235
  151   1HG2  ILE  15          HG21      ILE  15   0.601  -5.465   8.810
  152   2HG2  ILE  15          HG22      ILE  15   0.947  -4.217  10.007
  153   3HG2  ILE  15          HG23      ILE  15   2.175  -4.669   8.825
  154   1HD1  ILE  15          HD11      ILE  15   1.562  -5.491   6.393
  155   2HD1  ILE  15          HD12      ILE  15   1.682  -3.965   5.518
  156   3HD1  ILE  15          HD13      ILE  15   0.504  -5.178   5.017
  157    H    GLN  16           HN       GLN  16   0.518  -0.246   8.606
  158    HA   GLN  16           HA       GLN  16   2.259  -0.200  10.773
  159   1HB   GLN  16          HB2       GLN  16   1.716   1.513   8.772
  160   2HB   GLN  16          HB1       GLN  16   0.890   2.339  10.086
  161   1HG   GLN  16          HG2       GLN  16   2.823   3.216  10.691
  162   2HG   GLN  16          HG1       GLN  16   3.391   1.599  11.103
  163   1HE2  GLN  16          HE21      GLN  16   2.967   3.716   8.289
  164   2HE2  GLN  16          HE22      GLN  16   4.433   3.251   7.502
  165    H    ASN  17           HN       ASN  17  -1.189   0.186  10.678
  166    HA   ASN  17           HA       ASN  17  -1.665   1.593  13.024
  167   1HB   ASN  17          HB2       ASN  17  -3.218  -0.510  11.547
  168   2HB   ASN  17          HB1       ASN  17  -3.815   0.128  13.076
  169   1HD2  ASN  17          HD21      ASN  17  -5.415   0.505  11.043
  170   2HD2  ASN  17          HD22      ASN  17  -5.373   2.135  10.470
  171    H    ASP  18           HN       ASP  18  -0.684  -1.718  12.557
  172    HA   ASP  18           HA       ASP  18  -1.237  -2.488  15.286
  173   1HB   ASP  18          HB2       ASP  18  -1.202  -3.977  13.121
  174   2HB   ASP  18          HB1       ASP  18   0.524  -4.079  13.458
  175    H    LYS  19           HN       LYS  19   1.720  -2.171  13.315
  176    HA   LYS  19           HA       LYS  19   3.330  -2.104  15.742
  177   1HB   LYS  19          HB2       LYS  19   5.244  -2.014  14.072
  178   2HB   LYS  19          HB1       LYS  19   4.271  -3.478  14.065
  179   1HG   LYS  19          HG2       LYS  19   3.347  -3.022  12.021
  180   2HG   LYS  19          HG1       LYS  19   3.557  -1.278  12.193
  181   1HD   LYS  19          HD2       LYS  19   6.023  -1.635  11.985
  182   2HD   LYS  19          HD1       LYS  19   5.692  -3.328  11.615
  183   1HE   LYS  19          HE2       LYS  19   4.097  -1.531   9.991
  184   2HE   LYS  19          HE1       LYS  19   5.824  -1.225   9.808
  185   1HZ   LYS  19          HZ1       LYS  19   4.883  -2.900   8.246
  186   2HZ   LYS  19          HZ2       LYS  19   4.611  -3.920   9.567
  187   3HZ   LYS  19          HZ3       LYS  19   6.188  -3.463   9.164
  188   1HN   NH2  20          NH1       NH2  20   3.370  -0.199  16.725
  189   2HN   NH2  20          NH2       NH2  20   3.643   1.329  15.965