*HEADER    CYTOKINE                                13-AUG-18   6EE9              
*TITLE     CYTOKINE-LIKE PEPTIDE STRESS-RESPONSE PEPTIDE-1 FROM MANDUCA SEXTA    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: STRESS-RESPONSE PEPTIDE-1;                                 
*COMPND   3 CHAIN: X;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: MANDUCA SEXTA;                                  
*SOURCE   4 ORGANISM_TAXID: 7130                                                 
*KEYWDS    EPIDERMAL GROWTH FACTOR, HEMOLYMPH PROTEIN, INSECT IMMUNITY,          
*KEYWDS   2 PHENOLOXIDASE, CYTOKINE                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    L.SCHRAG                                                              
*REVDAT   1   21-AUG-19 6EE9    0                                                
# Restraints file 1: SRP1_Dihedral072016.tbl
!Phi

!P9
assign (resid  8  and name c ) (resid  9  and name n ) 
        (resid  9  and name ca) (resid  9  and name c ) 1.0 -65.0 20.0 2 


!Y12
assign (resid  11  and name c ) (resid  12  and name n ) 
        (resid  12  and name ca) (resid  12  and name c )   1.0  -135.0 35.0 2

!V13
assign (resid  12 and name c ) (resid  13  and name n ) 
        (resid  13  and name ca) (resid  13  and name c )   1.0  -135.0 35.0 2

!R14
assign (resid  13 and name c ) (resid  14  and name n ) 
        (resid  14  and name ca) (resid  14  and name c )   1.0  -135.0 35.0 2 !Artificially enforced beta-strand value

!R15
assign (resid  14 and name c ) (resid  15  and name n ) 
        (resid  15  and name ca) (resid  15  and name c )   1.0  -135.0 35.0 2

!G16
assign (resid  15 and name c ) (resid  16  and name n ) 
        (resid  16  and name ca) (resid  16  and name c )   1.0  60.0 20.0 2 !

!T17
assign (resid  16 and name c ) (resid  17  and name n ) 
        (resid  17  and name ca) (resid  17  and name c )   1.0  60.0 10.0 2 

!F18
assign (resid  17  and name c ) (resid  18  and name n ) 
        (resid  18  and name ca) (resid  18  and name c )   1.0  -135.0 35.0 2

!C19
assign (resid  18  and name c ) (resid  19  and name n ) 
        (resid  19  and name ca) (resid  19  and name c )   1.0  -135.0 35.0 2

!F20
assign (resid  19  and name c ) (resid  20  and name n ) 
        (resid  20  and name ca) (resid  20  and name c )   1.0  -135.0 35.0 2

!P21
assign (resid  20  and name c ) (resid  21  and name n ) 
        (resid  21  and name ca) (resid  21  and name c )   1.0  -65.0 20.0 2

!Psi

!P9
assign (resid 9 and name n ) (resid 9 and name ca) 
        (resid 9 and name c ) (resid 10 and name n ) 1.0 135.0 30.0 2 

!Y12
assign (resid 12 and name n ) (resid 12 and name ca) 
        (resid 12 and name c ) (resid 13 and name n )   1.0  135.0 35.0 2

!V13
assign (resid 13 and name n ) (resid 13 and name ca) 
        (resid 13 and name c ) (resid 14 and name n )   1.0  135.0 35.0 2

!R14
assign (resid 14 and name n ) (resid 14 and name ca) 
        (resid 14 and name c ) (resid 15 and name n )   1.0  135.0 35.0 2 

!R15
assign (resid 15 and name n ) (resid 15 and name ca) 
        (resid 15 and name c ) (resid 16 and name n )   1.0  135.0 35.0 2

!G16
assign (resid 16 and name n ) (resid 16 and name ca) 
        (resid 16 and name c ) (resid 17 and name n )   1.0  30.0 20.0 2 

!T17
assign (resid 17 and name n ) (resid 17 and name ca) 
        (resid 17 and name c ) (resid 18 and name n )   1.0  30.0 10.0 2 

!F18
assign (resid 18 and name n ) (resid 18 and name ca) 
        (resid 18 and name c ) (resid 19 and name n )   1.0  135.0 35.0 2

!C19
assign (resid 19 and name n ) (resid 19 and name ca) 
        (resid 19 and name c ) (resid 20 and name n )   1.0  135.0 35.0 2

!F20
assign (resid 20 and name n ) (resid 20 and name ca) 
        (resid 20 and name c ) (resid 21 and name n )   1.0  135.0 35.0 2

!P21
assign (resid 21 and name n ) (resid 21 and name ca) 
        (resid 21 and name c ) (resid 22 and name n )   1.0  135.0 30.0  2

# Restraints file 2: srp1_062416.txt
!SRP1 TOTAL-283 OBSERVED CONSTRAINTS 
! Intra-Residue NOE Constraints 133 Total

1assign (residue 1 and name HN) (residue 1 and name HB1) 4.2 2.0 0.3
assign (residue 1 and name HN) (residue 1 and name HB2) 3.2 1.4 0.8

3assign (residue 2 and name HN) (residue 2 and name HA#) 3.2 1.4 0.3 

4assign (residue 3 and name HN) (residue 3 and name HA) 4.2 2.0 0.3 
assign (residue 3 and name HN) (residue 3 and name HG##) 4.2 2.0 0.3
assign (residue 3 and name HB) (residue 3 and name HG##) 3.2 1.4 0.3

7assign (residue 4 and name HN) (residue 4 and name HA) 4.2 2.0 0.3
assign (residue 4 and name HN) (residue 4 and name HB1) 4.2 2.0 0.3
assign (residue 4 and name HN) (residue 4 and name HB2) 4.2 2.0 0.3
assign (residue 4 and name HE) (residue 4 and name HG2) 5.0 2.8 1.0 

11assign (residue 5 and name HN) (residue 5 and name HA) 4.2 2.0 0.3
assign (residue 5 and name HN) (residue 5 and name HB) 4.2 2.0 0.3
assign (residue 5 and name HN) (residue 5 and name HG##) 4.2 2.0 0.3
assign (residue 5 and name HA) (residue 5 and name HB) 4.2 2.0 0.3
assign (residue 5 and name HA) (residue 5 and name HG##) 4.2 2.0 0.3

16assign (residue 6 and name HN) (residue 6 and name HA#) 3.2 1.4 0.3 

17assign (residue 7 and name HN) (residue 7 and name HA) 4.2 2.0 0.3
assign (residue 7 and name HN) (residue 7 and name HB) 4.2 2.0 0.8
assign (residue 7 and name HN) (residue 7 and name HG#) 4.2 2.0 0.8
assign (residue 7 and name HA) (residue 7 and name HB) 3.2 1.4 0.3
assign (residue 7 and name HA) (residue 7 and name HG#) 3.2 1.4 0.8
assign (residue 7 and name HB) (residue 7 and name HG#) 3.2 1.4 0.3
 
23assign (residue 8 and name HN) (residue 8 and name HB1) 3.2 1.4 0.3 
assign (residue 8 and name HN) (residue 8 and name HB2) 4.2 2.0 0.3 
assign (residue 8 and name HB2) (residue 8 and name HB1) 3.2 1.4 0.3 

26assign (residue 9 and name HA) (residue 9 and name HB1) 3.2 1.4 0.3 
assign (residue 9 and name HA) (residue 9 and name HG2) 4.2 2.0 0.3 
assign (residue 9 and name HB1) (residue 9 and name HG1) 4.2 2.0 0.3  
assign (residue 9 and name HB1) (residue 9 and name HG2) 3.2 1.4 0.3
assign (residue 9 and name HB2) (residue 9 and name HB1) 3.2 1.4 0.3
assign (residue 9 and name HB2) (residue 9 and name HG1) 4.2 2.0 0.3
assign (residue 9 and name HB2) (residue 9 and name HG2) 4.2 2.0 0.3
assign (residue 9 and name HD#) (residue 9 and name HB1) 5.0 2.8 1.0 
assign (residue 9 and name HD#) (residue 9 and name HB2) 4.2 2.0 0.3
assign (residue 9 and name HD#) (residue 9 and name HG1) 4.2 2.0 0.3
assign (residue 9 and name HD#) (residue 9 and name HG2) 3.2 1.4 0.3
assign (residue 9 and name HG2) (residue 9 and name HG1) 2.2 0.4 0.3

38assign (residue 10 and name HN) (residue 10 and name HA) 4.2 2.0 0.3
assign (residue 10 and name HN) (residue 10 and name HB#) 3.2 1.4 0.3
assign (residue 10 and name HA) (residue 10 and name HB#) 3.2 1.4 0.8

41assign (residue 11 and name HN) (residue 11 and name HA1) 4.2 2.0 0.3
assign (residue 11 and name HN) (residue 11 and name HA2) 3.2 1.4 0.3
assign (residue 11 and name HA1) (residue 11 and name HA2) 3.2 1.4 0.3

44assign (residue 12 and name HN) (residue 12 and name HA) 3.2 1.4 0.3
assign (residue 12 and name HN) (residue 12 and name HB1) 4.2 2.0 0.3
assign (residue 12 and name HN) (residue 12 and name HB2) 3.2 1.4 0.8
assign (residue 12 and name HN) (residue 12 and name HE#) 5.0 2.8 2.4
assign (residue 12 and name HA) (residue 12 and name HB1) 4.2 2.0 0.3
assign (residue 12 and name HA) (residue 12 and name HB2) 4.2 2.0 0.3
assign (residue 12 and name HB2) (residue 12 and name HB1) 2.2 0.4 0.3
assign (residue 12 and name HD#) (residue 12 and name HN) 5.0 2.8 2.4 
assign (residue 12 and name HD#) (residue 12 and name HA) 5.0 2.8 2.4
assign (residue 12 and name HD#) (residue 12 and name HB1) 4.2 2.0 2.4
assign (residue 12 and name HD#) (residue 12 and name HB2) 5.0 2.8 2.4
assign (residue 12 and name HE#) (residue 12 and name HA) 5.0 2.8 2.4 
assign (residue 12 and name HE#) (residue 12 and name HB1) 4.2 2.0 2.4
assign (residue 12 and name HE#) (residue 12 and name HB2) 5.0 2.8 2.4

58assign (residue 13 and name HN) (residue 13 and name HB) 4.2 2.0 0.3
assign (residue 13 and name HN) (residue 13 and name HG##) 4.2 2.0 0.3
assign (residue 13 and name HA) (residue 13 and name HB) 4.2 2.0 0.3
assign (residue 13 and name HB) (residue 13 and name HG##) 3.2 1.4 0.3

62assign (residue 14 and name HN) (residue 14 and name HB1) 4.2 2.0 0.3
assign (residue 14 and name HN) (residue 14 and name HB2) 4.2 2.0 0.3
assign (residue 14 and name HN) (residue 14 and name HG2) 5.0 2.8 1.0 
assign (residue 14 and name HB2) (residue 14 and name HB1) 2.2 0.4 0.3
assign (residue 14 and name HB2) (residue 14 and name HG1) 4.2 2.0 0.3
assign (residue 14 and name HD#) (residue 14 and name HB1) 4.2 2.0 0.3
assign (residue 14 and name HD#) (residue 14 and name HB2) 4.2 2.0 0.3
assign (residue 14 and name HD#) (residue 14 and name HG1) 3.2 1.4 0.3
assign (residue 14 and name HD#) (residue 14 and name HG2) 3.2 1.4 0.3
assign (residue 14 and name HE) (residue 14 and name HB1) 5.0 2.8 1.0 
assign (residue 14 and name HE) (residue 14 and name HB2) 5.0 2.8 1.0 
assign (residue 14 and name HE) (residue 14 and name HD#) 3.2 1.4 0.3 
assign (residue 14 and name HE) (residue 14 and name HG1) 5.0 2.8 1.0 
assign (residue 14 and name HE) (residue 14 and name HG2) 5.0 2.8 1.0  
assign (residue 14 and name HG2) (residue 14 and name HG1) 2.2 0.4 0.3 

77assign (residue 15 and name HN) (residue 15 and name HB1) 4.2 2.0 0.3
assign (residue 15 and name HN) (residue 15 and name HD2) 5.0 2.8 1.0  
assign (residue 15 and name HN) (residue 15 and name HG#) 5.0 2.8 1.0 
assign (residue 15 and name HB1) (residue 15 and name HG#) 3.2 1.4 0.3
assign (residue 15 and name HE) (residue 15 and name HD1) 5.0 2.8 1.0 
assign (residue 15 and name HE) (residue 15 and name HD2) 5.0 2.8 1.0 
assign (residue 15 and name HE) (residue 15 and name HG#) 5.0 2.8 1.0 

84assign (residue 16 and name HN) (residue 16 and name HA1) 3.2 1.4 0.3
assign (residue 16 and name HN) (residue 16 and name HA2) 4.2 2.0 0.3
assign (residue 16 and name HA1) (residue 16 and name HA2) 2.2 0.4 0.3

87assign (residue 17 and name HN) (residue 17 and name HA) 3.2 1.4 0.3
assign (residue 17 and name HN) (residue 17 and name HG#) 4.2 2.0 0.3
assign (residue 17 and name HA) (residue 17 and name HG#) 3.2 1.4 0.3
assign (residue 17 and name HB) (residue 17 and name HG#) 3.2 1.4 0.3

91assign (residue 18 and name HN) (residue 18 and name HB1) 5.0 2.8 1.0 
assign (residue 18 and name HN) (residue 18 and name HB2) 4.2 2.0 0.3
assign (residue 18 and name HN) (residue 18 and name HD#) 5.0 2.8 2.4
assign (residue 18 and name HD#) (residue 18 and name HB1) 4.2 2.0 2.4
assign (residue 18 and name HD#) (residue 18 and name HB2) 4.2 2.0 2.4
assign (residue 18 and name HE#) (residue 18 and name HB1) 5.0 2.8 2.4 
assign (residue 18 and name HE#) (residue 18 and name HB2) 5.0 2.8 2.4 
assign (residue 18 and name HE#) (residue 18 and name HD#) 2.2 0.4 0.3 
 
99assign (residue 19 and name HN) (residue 19 and name HA) 4.2 2.0 0.3
assign (residue 19 and name HN) (residue 19 and name HB1) 4.2 2.0 0.3
assign (residue 19 and name HN) (residue 19 and name HB2) 3.2 1.4 0.8
assign (residue 19 and name HA) (residue 19 and name HB1) 3.2 1.4 0.3
assign (residue 19 and name HA) (residue 19 and name HB2) 3.2 1.4 0.8
assign (residue 19 and name HB2) (residue 19 and name HB1) 2.2 0.4 0.3

105assign (residue 20 and name HN) (residue 20 and name HA) 4.2 2.0 0.3
assign (residue 20 and name HN) (residue 20 and name HB1) 3.2 1.4 0.8
assign (residue 20 and name HN) (residue 20 and name HB2) 4.2 2.0 0.3
assign (residue 20 and name HA) (residue 20 and name HB1) 4.2 2.0 0.3
assign (residue 20 and name HA) (residue 20 and name HB2) 3.2 1.4 0.8
assign (residue 20 and name HB2) (residue 20 and name HB1) 2.2 0.4 0.3
assign (residue 20 and name HZ) (residue 20 and name HB1) 5.0 2.8 1.0 
assign (residue 20 and name HD#) (residue 20 and name HN) 5.0 2.8 1.0 
assign (residue 20 and name HD#) (residue 20 and name HA) 5.0 2.8 1.0
assign (residue 20 and name HD#) (residue 20 and name HB1) 4.2 2.0 0.3
assign (residue 20 and name HD#) (residue 20 and name HB2) 4.2 2.0 0.3
assign (residue 20 and name HE#) (residue 20 and name HB1) 5.0 2.8 2.4
 
117assign (residue 20 and name HZ) (residue 23 and name HB2) 5.0 2.8 2.4 

118assign (residue 21 and name HD1) (residue 21 and name HD2) 3.2 1.4 0.3
assign (residue 21 and name HD1) (residue 21 and name HB1) 4.2 2.0 0.3
assign (residue 21 and name HD1) (residue 21 and name HG#) 5.0 2.8 1.0 
assign (residue 21 and name HD1) (residue 21 and name HB2) 4.2 2.0 0.3
assign (residue 21 and name HA) (residue 21 and name HB1) 5.0 2.8 1.0
assign (residue 21 and name HA) (residue 21 and name HG#) 4.2 2.0 0.3   
assign (residue 21 and name HA) (residue 21 and name HB2) 3.2 1.4 0.3
assign (residue 21 and name HD2) (residue 21 and name HB1) 4.2 2.0 0.3
assign (residue 21 and name HD2) (residue 21 and name HG#) 4.2 2.0 0.3
assign (residue 21 and name HD2) (residue 21 and name HB2) 3.2 1.4 0.3
assign (residue 21 and name HB1) (residue 21 and name HG#) 4.2 2.0 0.3
assign (residue 21 and name HB1) (residue 21 and name HB2) 3.2 1.4 0.3
 
130assign (residue 22 and name HN) (residue 22 and name HA) 5.0 2.8 1.0 
assign (residue 22 and name HN) (residue 22 and name HB1) 5.0 2.8 1.0 
assign (residue 22 and name HB1) (residue 22 and name HB2) 2.2 0.4 0.3

133assign (residue 23 and name HN) (residue 23 and name HB1) 4.2 2.0 0.3
assign (residue 23 and name HN) (residue 23 and name HB2) 4.2 2.0 0.3

135assign (residue 24 and name HN) (residue 24 and name HA) 4.2 2.0 0.3
assign (residue 24 and name HN) (residue 24 and name HB#) 3.2 1.4 0.3
assign (residue 24 and name HA) (residue 24 and name HB#) 3.2 1.4 0.3

138assign (residue 25 and name HN) (residue 25 and name HB#) 3.2 1.4 0.3
assign (residue 25 and name HA) (residue 25 and name HB#) 4.2 2.0 0.3 

! Sequential Residue NOE Constraints Total-63

assign (residue 2 and name HN) (residue 1 and name HA) 5.0 2.8 1.0 

assign (residue 3 and name HN) (residue 2 and name HA1) 4.2 2.0 0.3
assign (residue 3 and name HN) (residue 2 and name HA2) 4.2 2.0 0.3

assign (residue 4 and name HN) (residue 3 and name HA) 2.2 0.4 0.3
assign (residue 4 and name HN) (residue 3 and name HB) 4.2 2.0 0.3

assign (residue 5 and name HN) (residue 4 and name HA) 3.2 1.4 0.3
assign (residue 5 and name HN) (residue 4 and name HB2) 5.0 2.8 1.0 

assign (residue 6 and name HN) (residue 5 and name HA) 3.2 1.4 0.3
assign (residue 6 and name HN) (residue 5 and name HB) 5.0 2.8 1.0 
assign (residue 6 and name HN) (residue 5 and name HG##) 4.2 2.0 0.3
assign (residue 6 and name HA#) (residue 5 and name HG##) 5.0 2.8 1.0 

assign (residue 7 and name HN) (residue 6 and name HN) 4.2 2.0 0.3
assign (residue 7 and name HN) (residue 6 and name HA1) 3.2 1.4 0.3

assign (residue 8 and name HN) (residue 7 and name HN) 5.0 2.8 1.0 
assign (residue 8 and name HN) (residue 7 and name HA) 3.2 1.4 0.3
assign (residue 8 and name HN) (residue 7 and name HB) 4.2 2.0 0.3
assign (residue 8 and name HN) (residue 7 and name HG#) 4.2 2.0 0.3
assign (residue 8 and name HA) (residue 9 and name HB2) 5.0 2.8 1.0
assign (residue 8 and name HA) (residue 9 and name HD#) 4.2 2.0 0.3

assign (residue 9 and name HD#) (residue 8 and name HB1) 5.0 2.8 1.0

assign (residue 10 and name HN) (residue 9 and name HA) 3.2 1.4 0.3
assign (residue 10 and name HN) (residue 9 and name HB1) 4.2 2.0 0.3
assign (residue 10 and name HN) (residue 9 and name HG1) 5.0 2.8 1.0 
assign (residue 10 and name HN) (residue 9 and name HG2) 4.2 2.0 0.3 
assign (residue 10 and name HN) (residue 9 and name HD#) 5.0 2.8 1.0
assign (residue 10 and name HN) (residue 11 and name HN) 5.0 2.8 1.0


assign (residue 11 and name HN) (residue 12 and name HN) 3.2 1.4 0.3

assign (residue 12 and name HN) (residue 11 and name HA1) 5.0 2.8 1.0 
assign (residue 12 and name HE#) (residue 13 and name HN) 5.0 2.8 2.4
assign (residue 12 and name HE#) (residue 13 and name HG##) 5.0 2.8 2.4

assign (residue 13 and name HN) (residue 12 and name HA) 4.2 2.0 0.3
assign (residue 13 and name HN) (residue 12 and name HB1) 4.2 2.0 0.3
assign (residue 13 and name HN) (residue 12 and name HB2) 5.0 2.8 1.0 
assign (residue 13 and name HN) (residue 12 and name HE#) 5.0 2.8 2.4

assign (residue 14 and name HN) (residue 13 and name HA) 4.2 2.0 0.3
assign (residue 14 and name HN) (residue 13 and name HB) 4.2 2.0 0.3
assign (residue 14 and name HB2) (residue 15 and name HG#) 3.2 1.4 0.8
 
assign (residue 15 and name HN) (residue 14 and name HG1) 5.0 2.8 1.0 

assign (residue 16 and name HN) (residue 15 and name HA) 5.0 2.8 1.0 
assign (residue 16 and name HN) (residue 15 and name HB#) 5.0 2.8 1.0 
assign (residue 16 and name HN) (residue 15 and name HG#) 5.0 2.8 1.0 

assign (residue 17 and name HN) (residue 16 and name HN) 5.0 2.8 1.0
assign (residue 17 and name HN) (residue 16 and name HA1) 4.2 2.0 0.3
assign (residue 17 and name HN) (residue 18 and name HN) 3.2 1.4 0.3

assign (residue 18 and name HN) (residue 17 and name HA) 5.0 2.8 1.0 
assign (residue 18 and name HN) (residue 17 and name HB) 5.0 2.8 1.0 
assign (residue 18 and name HN) (residue 17 and name HG#) 5.0 2.8 1.0 
assign (residue 18 and name HD#) (residue 17 and name HN) 5.0 2.8 2.4 
assign (residue 18 and name HD#) (residue 17 and name HG#) 5.0 2.8 2.4

assign (residue 20 and name HE#) (residue 21 and name HG2) 5.0 2.8 2.4
assign (residue 20 and name HZ) (residue 21 and name HD2) 5.0 2.8 2.4
assign (residue 20 and name HZ) (residue 21 and name HA) 5.0 2.8 2.4

assign (residue 21 and name HD1) (residue 20 and name HA) 4.2 2.0 0.8  
assign (residue 21 and name HD1) (residue 20 and name HB2) 5.0 2.8 1.0  
assign (residue 21 and name HD2) (residue 20 and name HA) 5.0 2.8 1.0   
assign (residue 21 and name HD2) (residue 20 and name HB1) 5.0 2.8 1.0 
assign (residue 21 and name HD2) (residue 20 and name HB2) 5.0 2.8 1.0 

assign (residue 23 and name HN) (residue 22 and name HN) 5.0 2.8 1.0 

assign (residue 22 and name HB1) (residue 21 and name HB2) 5.0 2.8 1.0 

assign (residue 20 and name HN) (residue 19 and name HA) 3.2 1.4 0.3
assign (residue 20 and name HN) (residue 19 and name HB2) 5.0 2.8 1.0 

assign (residue 24 and name HN) (residue 25 and name HN) 4.2 2.0 0.3

assign (residue 25 and name HN) (residue 24 and name HA) 4.2 2.0 0.3


! Medium Range NOE Constraints Total-31

assign (residue 9 and name HD#) (residue 12 and name HB2) 5.0 2.8 1.0 

assign (residue 12 and name HN) (residue 10 and name HA) 5.0 2.8 1.0 
assign (residue 12 and name HB2) (residue 8 and name HB1) 5.0 2.8 1.0 
assign (residue 12 and name HB2) (residue 8 and name HB2) 4.2 2.0 0.3  
assign (residue 12 and name HD#) (residue 9 and name HB1) 5.0 2.8 2.4
assign (residue 12 and name HD#) (residue 9 and name HD#) 5.0 2.8 2.4  
assign (residue 12 and name HD#) (residue 9 and name HG1) 5.0 2.8 2.4  
assign (residue 12 and name HD#) (residue 9 and name HG2) 5.0 2.8 2.4
assign (residue 12 and name HD#) (residue 10 and name HN) 5.0 2.8 2.4
assign (residue 12 and name HD#) (residue 10 and name HA) 5.0 2.8 2.4
assign (residue 12 and name HD#) (residue 10 and name HB#) 4.2 2.0 2.4
assign (residue 12 and name HD#) (residue 14 and name HB1) 5.0 2.8 2.4
assign (residue 12 and name HD#) (residue 21 and name HB2) 5.0 2.8 2.4
assign (residue 12 and name HE#) (residue 9 and name HB1) 5.0 2.8 2.4
assign (residue 12 and name HE#) (residue 9 and name HD#) 5.0 2.8 2.4
assign (residue 12 and name HE#) (residue 9 and name HG1) 5.0 2.8 2.4  
assign (residue 12 and name HE#) (residue 9 and name HG2) 5.0 2.8 2.4
assign (residue 12 and name HE#) (residue 10 and name HN) 5.0 2.8 2.4
assign (residue 12 and name HE#) (residue 10 and name HA) 5.0 2.8 2.4
assign (residue 12 and name HE#) (residue 21 and name HB2) 5.0 2.8 2.4

assign (residue 12 and name HE#) (residue 9 and name HB2) 5.0 2.8 2.4 

assign (residue 15 and name HN) (residue 18 and name HN) 5.0 2.8 1.0
assign (residue 15 and name HN) (residue 18 and name HE#) 5.0 2.8 2.4 
assign (residue 15 and name HN) (residue 18 and name HZ) 5.0 2.8 2.4 
assign (residue 15 and name HG#) (residue 13 and name HG##) 5.0 2.8 1.0
assign (residue 15 and name HE) (residue 13 and name HG##) 5.0 2.8 1.0 

assign (residue 20 and name HD#) (residue 13 and name HG##) 5.0 2.8 2.4

assign (residue 24 and name HN) (residue 12 and name HA) 4.2 2.0 0.3
assign (residue 24 and name HN) (residue 21 and name HA) 4.2 2.0 0.3 
assign (residue 24 and name HN) (residue 21 and name HG#) 5.0 2.8 1.0
assign (residue 24 and name HN) (residue 21 and name HB2) 5.0 2.8 1.0 

! Long Range NOE Constraints Total-18  

assign (residue 12 and name HD#) (residue 23 and name HB1) 5.0 2.8 2.4    
assign (residue 12 and name HD#) (residue 21 and name HD1) 5.0 2.8 2.4 
assign (residue 12 and name HD#) (residue 21 and name HB1) 5.0 2.8 2.4
assign (residue 12 and name HD#) (residue 22 and name HB2) 5.0 2.8 2.4

assign (residue 12 and name HE#) (residue 19 and name HB2) 5.0 2.8 2.4
assign (residue 12 and name HE#) (residue 22 and name HB1) 4.2 2.0 2.4 
assign (residue 12 and name HE#) (residue 21 and name HA) 4.2 2.0 2.4 
assign (residue 12 and name HE#) (residue 20 and name HN) 5.0 2.8 2.4 

assign (residue 13 and name HN) (residue 23 and name HB1) 5.0 2.8 1.0 
assign (residue 13 and name HN) (residue 24 and name HN) 5.0 2.8 1.0 

assign (residue 19 and name HB2) (residue 12 and name HB1) 5.0 2.8 1.0 
assign (residue 19 and name HB1) (residue 8 and name HB1) 3.2 1.0 0.3

assign (residue 20 and name HN) (residue 13 and name HG##) 5.0 2.8 1.0 

assign (residue 21 and name HA) (residue 12 and name HA) 5.0 2.8 1.0 

assign (residue 23 and name HB1) (residue 12 and name HB1) 5.0 2.8 1.0
assign (residue 23 and name HB1) (residue 13 and name HB) 5.0 2.8 1.0
assign (residue 23 and name HB1) (residue 13 and name HG##) 5.0 2.8 1.0 

assign (residue 25 and name HN) (residue 23 and name HN) 5.0 2.8 1.0 


! Disulfide Constraints

assign (residue 8 and name CB) (residue 19 and name SG) 3.2 1.0 0.3
assign (residue 8 and name SG) (residue 19 and name SG) 2.05 0.05 0.45

assign (residue 19 and name CB) (residue 8 and name SG) 3.2 1.0 0.3
assign (residue 19 and name SG) (residue 8 and name SG) 2.05 0.05 0.45



! Hydrogen Bond Constraints

assign (residue 20 and name HN) (residue 13 and name O) 2.2 0.4 0.8  
assign (residue 20 and name N) (residue 13 and name O) 3.2 0.8 0.8

assign (residue 18 and name HN) (residue 15 and name O) 3.2 1.4 0.3  
assign (residue 18 and name N) (residue 15 and name O) 4.2 1.8 0.3

assign (residue 13 and name HN) (residue 20 and name O) 2.2 0.4 0.3  
assign (residue 13 and name N) (residue 20 and name O) 3.2 0.8 0.3
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           HT1      PHE   1  16.506  -0.634   7.445
    2    H2   PHE   1           HT2      PHE   1  15.021  -1.101   6.783
    3    H3   PHE   1           HT3      PHE   1  15.512   0.516   6.703
    4    HA   PHE   1           HA       PHE   1  16.846  -1.762   5.360
    5    HB2  PHE   1           HB2      PHE   1  15.046   0.428   4.306
    6    HB3  PHE   1           HB1      PHE   1  16.055  -0.575   3.270
    7    HD1  PHE   1           HD1      PHE   1  13.088  -0.474   5.397
    8    HD2  PHE   1           HD2      PHE   1  15.526  -2.908   2.897
    9    HE1  PHE   1           HE1      PHE   1  11.304  -2.166   5.313
   10    HE2  PHE   1           HE2      PHE   1  13.746  -4.604   2.809
   11    HZ   PHE   1           HZ       PHE   1  11.633  -4.235   4.016
   12    H    GLY   2           HN       GLY   2  18.650  -1.247   4.120
   13    HA2  GLY   2           HA2      GLY   2  19.706   1.485   4.292
   14    HA3  GLY   2           HA1      GLY   2  20.674   0.179   4.957
   15    H    VAL   3           HN       VAL   3  21.497   1.910   2.884
   16    HA   VAL   3           HA       VAL   3  21.808  -0.024   0.690
   17    HB   VAL   3           HB       VAL   3  21.992   1.985  -0.884
   18   HG11  VAL   3          HG11      VAL   3  19.317   1.296   0.324
   19   HG12  VAL   3          HG12      VAL   3  20.149   0.416  -0.959
   20   HG13  VAL   3          HG13      VAL   3  19.567   2.057  -1.248
   21   HG21  VAL   3          HG21      VAL   3  20.471   3.360   1.342
   22   HG22  VAL   3          HG22      VAL   3  20.727   3.993  -0.285
   23   HG23  VAL   3          HG23      VAL   3  22.100   3.768   0.799
   24    H    ARG   4           HN       ARG   4  23.833  -0.589   0.399
   25    HA   ARG   4           HA       ARG   4  25.975   1.320   1.081
   26    HB2  ARG   4           HB2      ARG   4  25.840  -1.660   1.518
   27    HB3  ARG   4           HB1      ARG   4  27.363  -0.782   1.526
   28    HG2  ARG   4           HG2      ARG   4  26.560   0.593   3.383
   29    HG3  ARG   4           HG1      ARG   4  25.035  -0.295   3.375
   30    HD2  ARG   4           HD2      ARG   4  26.239  -2.365   3.875
   31    HD3  ARG   4           HD1      ARG   4  27.762  -1.478   3.881
   32    HE   ARG   4           HE       ARG   4  26.016  -0.275   5.714
   33   HH11  ARG   4          HH11      ARG   4  27.982  -3.500   7.079
   34   HH12  ARG   4          HH12      ARG   4  27.831  -3.261   5.371
   35   HH21  ARG   4          HH21      ARG   4  26.225  -0.609   7.946
   36   HH22  ARG   4          HH22      ARG   4  27.073  -1.999   8.535
   37    H    VAL   5           HN       VAL   5  27.592   1.615  -0.358
   38    HA   VAL   5           HA       VAL   5  27.767  -0.131  -2.699
   39    HB   VAL   5           HB       VAL   5  28.064   1.944  -4.165
   40   HG11  VAL   5          HG11      VAL   5  25.653   2.132  -4.575
   41   HG12  VAL   5          HG12      VAL   5  25.340   1.302  -3.050
   42   HG13  VAL   5          HG13      VAL   5  26.164   0.457  -4.360
   43   HG21  VAL   5          HG21      VAL   5  26.837   3.963  -3.482
   44   HG22  VAL   5          HG22      VAL   5  28.207   3.648  -2.417
   45   HG23  VAL   5          HG23      VAL   5  26.571   3.259  -1.888
   46    H    GLY   6           HN       GLY   6  29.775  -0.776  -2.951
   47    HA2  GLY   6           HA2      GLY   6  31.996   1.074  -2.755
   48    HA3  GLY   6           HA1      GLY   6  31.979  -0.174  -1.519
   49    H    THR   7           HN       THR   7  34.049   0.130  -3.370
   50    HA   THR   7           HA       THR   7  33.685  -2.035  -5.310
   51    HB   THR   7           HB       THR   7  35.984  -1.307  -6.121
   52    HG1  THR   7           HG1      THR   7  36.947   0.123  -4.908
   53   HG21  THR   7          HG21      THR   7  33.936  -0.688  -7.302
   54   HG22  THR   7          HG22      THR   7  35.110   0.628  -7.349
   55   HG23  THR   7          HG23      THR   7  33.738   0.709  -6.242
   56    H    CYS   8           HN       CYS   8  35.822  -1.051  -2.665
   57    HA   CYS   8           HA       CYS   8  36.908  -3.784  -2.562
   58    HB2  CYS   8           HB2      CYS   8  38.793  -2.784  -1.276
   59    HB3  CYS   8           HB1      CYS   8  38.640  -2.127  -2.907
   60    HA   PRO   9           HA       PRO   9  34.837  -4.530   1.316
   61    HB2  PRO   9           HB2      PRO   9  36.651  -6.142   2.599
   62    HB3  PRO   9           HB1      PRO   9  35.593  -6.703   1.287
   63    HG2  PRO   9           HG2      PRO   9  38.452  -5.869   1.177
   64    HG3  PRO   9           HG1      PRO   9  37.645  -7.244   0.388
   65    HD2  PRO   9           HD2      PRO   9  38.222  -4.991  -0.955
   66    HD3  PRO   9           HD1      PRO   9  36.754  -5.929  -1.291
   67    H    SER  10           HN       SER  10  35.027  -4.288   3.677
   68    HA   SER  10           HA       SER  10  36.112  -1.809   4.432
   69    HB2  SER  10           HB2      SER  10  34.148  -2.958   5.499
   70    HB3  SER  10           HB1      SER  10  35.286  -4.042   6.298
   71    HG   SER  10           HG       SER  10  34.574  -2.105   7.500
   72    H    GLY  11           HN       GLY  11  37.903  -1.189   5.525
   73    HA2  GLY  11           HA2      GLY  11  39.821  -1.561   6.909
   74    HA3  GLY  11           HA1      GLY  11  39.839  -3.240   6.376
   75    H    TYR  12           HN       TYR  12  39.527  -0.368   4.349
   76    HA   TYR  12           HA       TYR  12  42.217  -0.819   3.252
   77    HB2  TYR  12           HB2      TYR  12  39.606  -0.940   1.845
   78    HB3  TYR  12           HB1      TYR  12  40.903  -0.077   1.012
   79    HD1  TYR  12           HD1      TYR  12  42.843  -1.240   0.198
   80    HD2  TYR  12           HD2      TYR  12  39.779  -3.342   2.262
   81    HE1  TYR  12           HE1      TYR  12  43.796  -3.368  -0.574
   82    HE2  TYR  12           HE2      TYR  12  40.720  -5.482   1.493
   83    HH   TYR  12           HH       TYR  12  43.796  -5.738   0.091
   84    H    VAL  13           HN       VAL  13  43.005   1.046   1.931
   85    HA   VAL  13           HA       VAL  13  42.130   3.559   3.179
   86    HB   VAL  13           HB       VAL  13  44.712   2.982   1.686
   87   HG11  VAL  13          HG11      VAL  13  43.903   5.421   3.277
   88   HG12  VAL  13          HG12      VAL  13  44.098   5.342   1.525
   89   HG13  VAL  13          HG13      VAL  13  45.497   5.129   2.578
   90   HG21  VAL  13          HG21      VAL  13  45.778   3.119   3.900
   91   HG22  VAL  13          HG22      VAL  13  44.627   1.783   3.795
   92   HG23  VAL  13          HG23      VAL  13  44.185   3.265   4.644
   93    H    ARG  14           HN       ARG  14  40.534   4.434   2.015
   94    HA   ARG  14           HA       ARG  14  40.664   4.443  -0.917
   95    HB2  ARG  14           HB2      ARG  14  38.405   5.259   0.913
   96    HB3  ARG  14           HB1      ARG  14  38.313   5.106  -0.839
   97    HG2  ARG  14           HG2      ARG  14  38.687   2.695  -0.664
   98    HG3  ARG  14           HG1      ARG  14  38.785   2.838   1.096
   99    HD2  ARG  14           HD2      ARG  14  36.376   3.710  -0.485
  100    HD3  ARG  14           HD1      ARG  14  36.561   2.074   0.144
  101    HE   ARG  14           HE       ARG  14  36.962   3.824   2.268
  102   HH11  ARG  14          HH11      ARG  14  34.318   2.946   0.129
  103   HH12  ARG  14          HH12      ARG  14  33.097   3.313   1.302
  104   HH21  ARG  14          HH21      ARG  14  33.681   4.077   3.370
  105   HH22  ARG  14          HH22      ARG  14  35.348   4.296   3.786
  106    H    ARG  15           HN       ARG  15  41.985   6.114  -1.486
  107    HA   ARG  15           HA       ARG  15  41.024   8.805  -0.934
  108    HB2  ARG  15           HB2      ARG  15  43.817   7.896  -0.206
  109    HB3  ARG  15           HB1      ARG  15  43.364   9.587  -0.373
  110    HG2  ARG  15           HG2      ARG  15  41.687   7.931   1.431
  111    HG3  ARG  15           HG1      ARG  15  43.335   8.297   1.972
  112    HD2  ARG  15           HD2      ARG  15  42.899  10.694   1.638
  113    HD3  ARG  15           HD1      ARG  15  41.255  10.316   1.125
  114    HE   ARG  15           HE       ARG  15  41.545   9.175   3.615
  115   HH11  ARG  15          HH11      ARG  15  41.732  12.436   2.324
  116   HH12  ARG  15          HH12      ARG  15  41.216  13.174   3.805
  117   HH21  ARG  15          HH21      ARG  15  40.872  10.162   5.542
  118   HH22  ARG  15          HH22      ARG  15  40.728  11.887   5.624
  119    H    GLY  16           HN       GLY  16  41.227  10.116  -2.658
  120    HA2  GLY  16           HA2      GLY  16  41.995  10.959  -4.679
  121    HA3  GLY  16           HA1      GLY  16  43.263   9.736  -4.675
  122    H    THR  17           HN       THR  17  39.847   9.034  -4.338
  123    HA   THR  17           HA       THR  17  38.340   7.835  -5.499
  124    HB   THR  17           HB       THR  17  38.204   8.024  -7.957
  125    HG1  THR  17           HG1      THR  17  40.720   9.290  -7.646
  126   HG21  THR  17          HG21      THR  17  37.218   9.771  -6.571
  127   HG22  THR  17          HG22      THR  17  37.865  10.452  -8.063
  128   HG23  THR  17          HG23      THR  17  38.753  10.639  -6.553
  129    H    PHE  18           HN       PHE  18  41.053   6.623  -4.822
  130    HA   PHE  18           HA       PHE  18  40.611   4.150  -6.323
  131    HB2  PHE  18           HB2      PHE  18  43.014   3.760  -6.623
  132    HB3  PHE  18           HB1      PHE  18  42.506   5.227  -7.442
  133    HD1  PHE  18           HD1      PHE  18  44.411   3.870  -4.604
  134    HD2  PHE  18           HD2      PHE  18  43.382   7.362  -6.806
  135    HE1  PHE  18           HE1      PHE  18  46.222   5.103  -3.488
  136    HE2  PHE  18           HE2      PHE  18  45.190   8.603  -5.692
  137    HZ   PHE  18           HZ       PHE  18  46.615   7.473  -4.030
  138    H    CYS  19           HN       CYS  19  41.052   2.248  -5.234
  139    HA   CYS  19           HA       CYS  19  41.544   2.536  -2.341
  140    HB2  CYS  19           HB2      CYS  19  39.264   1.742  -2.950
  141    HB3  CYS  19           HB1      CYS  19  39.991   0.356  -3.763
  142    H    PHE  20           HN       PHE  20  43.398   1.708  -1.622
  143    HA   PHE  20           HA       PHE  20  44.598  -0.532  -3.088
  144    HB2  PHE  20           HB2      PHE  20  46.821   0.432  -2.835
  145    HB3  PHE  20           HB1      PHE  20  45.766   1.586  -3.648
  146    HD1  PHE  20           HD1      PHE  20  47.894   0.962  -0.822
  147    HD2  PHE  20           HD2      PHE  20  44.858   3.536  -2.331
  148    HE1  PHE  20           HE1      PHE  20  48.496   2.651   0.859
  149    HE2  PHE  20           HE2      PHE  20  45.457   5.229  -0.650
  150    HZ   PHE  20           HZ       PHE  20  47.275   4.782   0.950
  151    HA   PRO  21           HA       PRO  21  45.129  -2.341   0.980
  152    HB2  PRO  21           HB2      PRO  21  47.480  -3.863   0.338
  153    HB3  PRO  21           HB1      PRO  21  45.795  -4.420   0.348
  154    HG2  PRO  21           HG2      PRO  21  47.337  -4.216  -1.906
  155    HG3  PRO  21           HG1      PRO  21  45.564  -4.169  -1.893
  156    HD2  PRO  21           HD2      PRO  21  47.514  -1.901  -2.058
  157    HD3  PRO  21           HD1      PRO  21  45.980  -2.143  -2.922
  158    H    ASP  22           HN       ASP  22  45.952  -1.770   2.838
  159    HA   ASP  22           HA       ASP  22  48.730  -1.215   3.295
  160    HB2  ASP  22           HB2      ASP  22  47.855   0.932   2.260
  161    HB3  ASP  22           HB1      ASP  22  46.802   1.093   3.663
  162    H    ASP  23           HN       ASP  23  45.452  -0.577   4.564
  163    HA   ASP  23           HA       ASP  23  46.289  -1.245   7.270
  164    HB2  ASP  23           HB2      ASP  23  44.729   0.701   6.583
  165    HB3  ASP  23           HB1      ASP  23  43.488  -0.533   6.414
  166    H    ASP  24           HN       ASP  24  45.249  -2.958   4.610
  167    HA   ASP  24           HA       ASP  24  43.674  -4.918   6.104
  168    HB2  ASP  24           HB2      ASP  24  43.147  -3.997   3.707
  169    HB3  ASP  24           HB1      ASP  24  44.346  -5.177   3.188
  170    H    TYR  25           HN       TYR  25  46.689  -4.680   4.244
  171    HA   TYR  25           HA       TYR  25  47.520  -7.284   5.348
  172    HB2  TYR  25           HB2      TYR  25  48.251  -5.953   2.737
  173    HB3  TYR  25           HB1      TYR  25  49.135  -7.328   3.388
  174    HD1  TYR  25           HD1      TYR  25  45.997  -6.218   1.861
  175    HD2  TYR  25           HD2      TYR  25  48.138  -9.545   3.425
  176    HE1  TYR  25           HE1      TYR  25  44.379  -7.744   0.812
  177    HE2  TYR  25           HE2      TYR  25  46.527 -11.080   2.380
  178    HH   TYR  25           HH       TYR  25  44.206 -11.046   1.576
  Start of MODEL    2
    1    H1   PHE   1           HT1      PHE   1  21.115  -6.056 -14.144
    2    H2   PHE   1           HT2      PHE   1  19.646  -5.404 -13.615
    3    H3   PHE   1           HT3      PHE   1  19.865  -7.081 -13.643
    4    HA   PHE   1           HA       PHE   1  20.020  -6.228 -11.398
    5    HB2  PHE   1           HB2      PHE   1  22.586  -7.271 -12.612
    6    HB3  PHE   1           HB1      PHE   1  22.317  -7.138 -10.878
    7    HD1  PHE   1           HD1      PHE   1  21.450  -8.949 -13.928
    8    HD2  PHE   1           HD2      PHE   1  20.788  -8.629  -9.736
    9    HE1  PHE   1           HE1      PHE   1  20.394 -11.171 -13.930
   10    HE2  PHE   1           HE2      PHE   1  19.732 -10.851  -9.730
   11    HZ   PHE   1           HZ       PHE   1  19.534 -12.125 -11.829
   12    H    GLY   2           HN       GLY   2  20.964  -4.871  -9.879
   13    HA2  GLY   2           HA2      GLY   2  22.920  -2.893 -10.781
   14    HA3  GLY   2           HA1      GLY   2  21.353  -2.289 -10.267
   15    H    VAL   3           HN       VAL   3  24.057  -1.875  -9.154
   16    HA   VAL   3           HA       VAL   3  23.410  -2.552  -6.382
   17    HB   VAL   3           HB       VAL   3  25.896  -2.993  -5.958
   18   HG11  VAL   3          HG11      VAL   3  24.205  -4.718  -5.790
   19   HG12  VAL   3          HG12      VAL   3  25.675  -5.372  -6.512
   20   HG13  VAL   3          HG13      VAL   3  24.285  -4.998  -7.529
   21   HG21  VAL   3          HG21      VAL   3  25.885  -3.529  -8.936
   22   HG22  VAL   3          HG22      VAL   3  27.179  -3.962  -7.818
   23   HG23  VAL   3          HG23      VAL   3  26.799  -2.265  -8.111
   24    H    ARG   4           HN       ARG   4  23.754  -0.955  -4.970
   25    HA   ARG   4           HA       ARG   4  25.375   1.358  -5.807
   26    HB2  ARG   4           HB2      ARG   4  22.611   1.366  -4.600
   27    HB3  ARG   4           HB1      ARG   4  23.660   2.775  -4.555
   28    HG2  ARG   4           HG2      ARG   4  23.731   2.802  -7.000
   29    HG3  ARG   4           HG1      ARG   4  22.682   1.385  -7.044
   30    HD2  ARG   4           HD2      ARG   4  21.896   3.958  -5.693
   31    HD3  ARG   4           HD1      ARG   4  21.566   3.638  -7.394
   32    HE   ARG   4           HE       ARG   4  20.567   1.477  -5.976
   33   HH11  ARG   4          HH11      ARG   4  18.250   4.748  -5.704
   34   HH12  ARG   4          HH12      ARG   4  19.918   4.926  -6.139
   35   HH21  ARG   4          HH21      ARG   4  18.382   1.269  -5.408
   36   HH22  ARG   4          HH22      ARG   4  17.384   2.680  -5.291
   37    H    VAL   5           HN       VAL   5  26.588   2.340  -4.253
   38    HA   VAL   5           HA       VAL   5  27.783   2.644  -2.347
   39    HB   VAL   5           HB       VAL   5  25.516   1.409  -0.757
   40   HG11  VAL   5          HG11      VAL   5  26.267   2.874   1.033
   41   HG12  VAL   5          HG12      VAL   5  27.517   3.545  -0.012
   42   HG13  VAL   5          HG13      VAL   5  27.595   1.854   0.481
   43   HG21  VAL   5          HG21      VAL   5  24.565   3.111  -2.239
   44   HG22  VAL   5          HG22      VAL   5  25.747   4.284  -1.654
   45   HG23  VAL   5          HG23      VAL   5  24.529   3.635  -0.555
   46    H    GLY   6           HN       GLY   6  29.518   1.541  -1.783
   47    HA2  GLY   6           HA2      GLY   6  30.629  -0.229  -0.634
   48    HA3  GLY   6           HA1      GLY   6  29.273  -1.282  -1.002
   49    H    THR   7           HN       THR   7  32.169   0.227  -2.260
   50    HA   THR   7           HA       THR   7  32.096  -1.583  -4.580
   51    HB   THR   7           HB       THR   7  33.851  -0.019  -5.553
   52    HG1  THR   7           HG1      THR   7  34.134   1.938  -4.602
   53   HG21  THR   7          HG21      THR   7  32.190   1.620  -6.318
   54   HG22  THR   7          HG22      THR   7  31.087   1.092  -5.047
   55   HG23  THR   7          HG23      THR   7  31.538  -0.019  -6.341
   56    H    CYS   8           HN       CYS   8  34.335  -0.128  -2.235
   57    HA   CYS   8           HA       CYS   8  36.303  -2.206  -2.746
   58    HB2  CYS   8           HB2      CYS   8  36.458   0.217  -0.939
   59    HB3  CYS   8           HB1      CYS   8  37.790  -0.828  -1.412
   60    HA   PRO   9           HA       PRO   9  35.206  -4.621   0.855
   61    HB2  PRO   9           HB2      PRO   9  37.651  -5.611   1.601
   62    HB3  PRO   9           HB1      PRO   9  36.725  -6.228   0.215
   63    HG2  PRO   9           HG2      PRO   9  39.009  -4.315   0.259
   64    HG3  PRO   9           HG1      PRO   9  38.685  -5.663  -0.855
   65    HD2  PRO   9           HD2      PRO   9  38.182  -3.106  -1.532
   66    HD3  PRO   9           HD1      PRO   9  37.165  -4.447  -2.096
   67    H    SER  10           HN       SER  10  35.599  -4.873   3.186
   68    HA   SER  10           HA       SER  10  36.042  -2.323   4.449
   69    HB2  SER  10           HB2      SER  10  35.371  -5.023   5.643
   70    HB3  SER  10           HB1      SER  10  35.364  -3.492   6.519
   71    HG   SER  10           HG       SER  10  33.787  -2.797   4.893
   72    H    GLY  11           HN       GLY  11  37.776  -1.620   5.504
   73    HA2  GLY  11           HA2      GLY  11  39.692  -1.816   6.884
   74    HA3  GLY  11           HA1      GLY  11  39.830  -3.509   6.413
   75    H    TYR  12           HN       TYR  12  39.472  -0.661   4.338
   76    HA   TYR  12           HA       TYR  12  42.197  -1.070   3.307
   77    HB2  TYR  12           HB2      TYR  12  39.642  -1.332   1.868
   78    HB3  TYR  12           HB1      TYR  12  40.817  -0.282   1.070
   79    HD1  TYR  12           HD1      TYR  12  42.862  -1.153   0.179
   80    HD2  TYR  12           HD2      TYR  12  40.123  -3.716   2.180
   81    HE1  TYR  12           HE1      TYR  12  44.066  -3.104  -0.694
   82    HE2  TYR  12           HE2      TYR  12  41.313  -5.683   1.306
   83    HH   TYR  12           HH       TYR  12  44.378  -5.482  -0.140
   84    H    VAL  13           HN       VAL  13  42.901   0.828   1.884
   85    HA   VAL  13           HA       VAL  13  42.008   3.298   3.206
   86    HB   VAL  13           HB       VAL  13  44.137   4.330   2.273
   87   HG11  VAL  13          HG11      VAL  13  44.371   2.116   4.300
   88   HG12  VAL  13          HG12      VAL  13  43.858   3.774   4.613
   89   HG13  VAL  13          HG13      VAL  13  45.511   3.445   4.093
   90   HG21  VAL  13          HG21      VAL  13  45.961   2.967   1.617
   91   HG22  VAL  13          HG22      VAL  13  44.591   2.455   0.634
   92   HG23  VAL  13          HG23      VAL  13  45.099   1.485   2.017
   93    H    ARG  14           HN       ARG  14  40.472   4.307   2.109
   94    HA   ARG  14           HA       ARG  14  40.501   4.301  -0.825
   95    HB2  ARG  14           HB2      ARG  14  38.341   5.278   1.042
   96    HB3  ARG  14           HB1      ARG  14  38.192   5.019  -0.695
   97    HG2  ARG  14           HG2      ARG  14  38.427   2.622  -0.393
   98    HG3  ARG  14           HG1      ARG  14  38.656   2.846   1.346
   99    HD2  ARG  14           HD2      ARG  14  36.408   3.824   1.498
  100    HD3  ARG  14           HD1      ARG  14  36.183   3.556  -0.230
  101    HE   ARG  14           HE       ARG  14  36.798   1.090   0.726
  102   HH11  ARG  14          HH11      ARG  14  34.342   3.444   1.601
  103   HH12  ARG  14          HH12      ARG  14  33.214   2.241   2.131
  104   HH21  ARG  14          HH21      ARG  14  33.761   0.030   2.031
  105   HH22  ARG  14          HH22      ARG  14  35.307  -0.466   1.426
  106    H    ARG  15           HN       ARG  15  41.879   5.906  -1.454
  107    HA   ARG  15           HA       ARG  15  41.054   8.642  -0.919
  108    HB2  ARG  15           HB2      ARG  15  43.794   7.605  -0.178
  109    HB3  ARG  15           HB1      ARG  15  43.459   9.314  -0.424
  110    HG2  ARG  15           HG2      ARG  15  42.022   9.412   1.434
  111    HG3  ARG  15           HG1      ARG  15  41.898   7.650   1.537
  112    HD2  ARG  15           HD2      ARG  15  44.262   7.532   2.174
  113    HD3  ARG  15           HD1      ARG  15  44.390   9.287   2.054
  114    HE   ARG  15           HE       ARG  15  42.321   8.595   3.845
  115   HH11  ARG  15          HH11      ARG  15  45.829   8.623   3.669
  116   HH12  ARG  15          HH12      ARG  15  46.028   8.789   5.381
  117   HH21  ARG  15          HH21      ARG  15  42.607   8.813   6.084
  118   HH22  ARG  15          HH22      ARG  15  44.206   8.897   6.747
  119    H    GLY  16           HN       GLY  16  41.330   9.946  -2.641
  120    HA2  GLY  16           HA2      GLY  16  42.124  10.735  -4.673
  121    HA3  GLY  16           HA1      GLY  16  43.309   9.433  -4.683
  122    H    THR  17           HN       THR  17  39.981   8.626  -4.200
  123    HA   THR  17           HA       THR  17  38.378   7.581  -5.415
  124    HB   THR  17           HB       THR  17  39.650   8.186  -8.062
  125    HG1  THR  17           HG1      THR  17  39.589  10.065  -6.367
  126   HG21  THR  17          HG21      THR  17  36.807   8.336  -7.039
  127   HG22  THR  17          HG22      THR  17  37.497   7.019  -7.989
  128   HG23  THR  17          HG23      THR  17  37.319   8.622  -8.704
  129    H    PHE  18           HN       PHE  18  41.102   6.350  -4.774
  130    HA   PHE  18           HA       PHE  18  40.638   3.873  -6.253
  131    HB2  PHE  18           HB2      PHE  18  43.061   3.523  -6.633
  132    HB3  PHE  18           HB1      PHE  18  42.438   4.908  -7.513
  133    HD1  PHE  18           HD1      PHE  18  43.185   7.140  -7.002
  134    HD2  PHE  18           HD2      PHE  18  44.590   3.812  -4.757
  135    HE1  PHE  18           HE1      PHE  18  44.978   8.537  -6.060
  136    HE2  PHE  18           HE2      PHE  18  46.384   5.202  -3.808
  137    HZ   PHE  18           HZ       PHE  18  46.579   7.569  -4.459
  138    H    CYS  19           HN       CYS  19  40.876   2.050  -5.080
  139    HA   CYS  19           HA       CYS  19  41.629   2.373  -2.255
  140    HB2  CYS  19           HB2      CYS  19  39.999   0.192  -3.586
  141    HB3  CYS  19           HB1      CYS  19  40.339   0.311  -1.858
  142    H    PHE  20           HN       PHE  20  43.513   1.578  -1.600
  143    HA   PHE  20           HA       PHE  20  44.635  -0.740  -3.001
  144    HB2  PHE  20           HB2      PHE  20  46.855   0.224  -3.017
  145    HB3  PHE  20           HB1      PHE  20  45.745   1.361  -3.777
  146    HD1  PHE  20           HD1      PHE  20  48.100   0.799  -1.116
  147    HD2  PHE  20           HD2      PHE  20  45.033   3.403  -2.501
  148    HE1  PHE  20           HE1      PHE  20  48.904   2.551   0.412
  149    HE2  PHE  20           HE2      PHE  20  45.831   5.161  -0.975
  150    HZ   PHE  20           HZ       PHE  20  47.765   4.729   0.490
  151    HA   PRO  21           HA       PRO  21  45.440  -2.298   1.121
  152    HB2  PRO  21           HB2      PRO  21  47.930  -3.612   0.467
  153    HB3  PRO  21           HB1      PRO  21  46.320  -4.338   0.649
  154    HG2  PRO  21           HG2      PRO  21  47.650  -4.207  -1.719
  155    HG3  PRO  21           HG1      PRO  21  45.881  -4.251  -1.581
  156    HD2  PRO  21           HD2      PRO  21  47.680  -1.899  -2.041
  157    HD3  PRO  21           HD1      PRO  21  46.118  -2.294  -2.794
  158    H    ASP  22           HN       ASP  22  46.209  -1.476   2.908
  159    HA   ASP  22           HA       ASP  22  48.940  -0.705   3.307
  160    HB2  ASP  22           HB2      ASP  22  47.939   1.282   2.078
  161    HB3  ASP  22           HB1      ASP  22  46.878   1.510   3.467
  162    H    ASP  23           HN       ASP  23  45.626  -0.155   4.509
  163    HA   ASP  23           HA       ASP  23  46.487  -0.528   7.263
  164    HB2  ASP  23           HB2      ASP  23  44.838   1.271   6.385
  165    HB3  ASP  23           HB1      ASP  23  43.655  -0.036   6.366
  166    H    ASP  24           HN       ASP  24  45.574  -2.530   4.776
  167    HA   ASP  24           HA       ASP  24  44.066  -4.413   6.430
  168    HB2  ASP  24           HB2      ASP  24  43.555  -3.745   3.937
  169    HB3  ASP  24           HB1      ASP  24  44.791  -4.944   3.570
  170    H    TYR  25           HN       TYR  25  47.084  -4.226   4.567
  171    HA   TYR  25           HA       TYR  25  48.100  -6.525   6.097
  172    HB2  TYR  25           HB2      TYR  25  48.465  -5.944   3.154
  173    HB3  TYR  25           HB1      TYR  25  49.490  -7.070   4.039
  174    HD1  TYR  25           HD1      TYR  25  46.204  -6.514   2.565
  175    HD2  TYR  25           HD2      TYR  25  48.565  -9.187   4.883
  176    HE1  TYR  25           HE1      TYR  25  44.564  -8.302   2.164
  177    HE2  TYR  25           HE2      TYR  25  46.934 -10.982   4.488
  178    HH   TYR  25           HH       TYR  25  44.484 -10.759   2.153
  Start of MODEL    3
    1    H1   PHE   1           HT1      PHE   1  27.707  12.643  -2.814
    2    H2   PHE   1           HT2      PHE   1  26.075  12.420  -3.193
    3    H3   PHE   1           HT3      PHE   1  26.997  13.541  -4.061
    4    HA   PHE   1           HA       PHE   1  28.359  11.795  -4.970
    5    HB2  PHE   1           HB2      PHE   1  26.543  10.024  -3.327
    6    HB3  PHE   1           HB1      PHE   1  27.571   9.420  -4.620
    7    HD1  PHE   1           HD1      PHE   1  27.480  10.779  -1.230
    8    HD2  PHE   1           HD2      PHE   1  29.973   9.314  -4.353
    9    HE1  PHE   1           HE1      PHE   1  29.345  10.569   0.361
   10    HE2  PHE   1           HE2      PHE   1  31.841   9.102  -2.767
   11    HZ   PHE   1           HZ       PHE   1  31.530   9.729  -0.406
   12    H    GLY   2           HN       GLY   2  27.867  11.181  -7.024
   13    HA2  GLY   2           HA2      GLY   2  25.060  11.553  -7.850
   14    HA3  GLY   2           HA1      GLY   2  26.457  11.854  -8.874
   15    H    VAL   3           HN       VAL   3  27.933   9.738  -8.933
   16    HA   VAL   3           HA       VAL   3  26.226   7.387  -9.342
   17    HB   VAL   3           HB       VAL   3  27.600   6.863 -11.435
   18   HG11  VAL   3          HG11      VAL   3  25.248   7.447 -11.508
   19   HG12  VAL   3          HG12      VAL   3  26.104   8.163 -12.873
   20   HG13  VAL   3          HG13      VAL   3  25.653   9.164 -11.492
   21   HG21  VAL   3          HG21      VAL   3  28.462   8.783 -12.702
   22   HG22  VAL   3          HG22      VAL   3  29.347   8.559 -11.193
   23   HG23  VAL   3          HG23      VAL   3  28.139   9.838 -11.325
   24    H    ARG   4           HN       ARG   4  27.200   5.392  -9.079
   25    HA   ARG   4           HA       ARG   4  29.899   5.446  -7.891
   26    HB2  ARG   4           HB2      ARG   4  27.490   3.763  -7.219
   27    HB3  ARG   4           HB1      ARG   4  29.111   3.325  -6.701
   28    HG2  ARG   4           HG2      ARG   4  29.295   5.426  -5.472
   29    HG3  ARG   4           HG1      ARG   4  27.675   5.880  -6.003
   30    HD2  ARG   4           HD2      ARG   4  26.756   3.925  -4.850
   31    HD3  ARG   4           HD1      ARG   4  28.376   3.475  -4.322
   32    HE   ARG   4           HE       ARG   4  27.891   6.088  -3.471
   33   HH11  ARG   4          HH11      ARG   4  26.232   3.252  -1.160
   34   HH12  ARG   4          HH12      ARG   4  26.677   2.864  -2.790
   35   HH21  ARG   4          HH21      ARG   4  27.301   6.572  -1.337
   36   HH22  ARG   4          HH22      ARG   4  26.585   5.349  -0.340
   37    H    VAL   5           HN       VAL   5  31.406   4.023  -8.584
   38    HA   VAL   5           HA       VAL   5  30.635   1.916 -10.459
   39    HB   VAL   5           HB       VAL   5  32.655   2.518 -11.907
   40   HG11  VAL   5          HG11      VAL   5  30.247   4.330 -11.900
   41   HG12  VAL   5          HG12      VAL   5  30.370   2.748 -12.672
   42   HG13  VAL   5          HG13      VAL   5  31.349   4.094 -13.257
   43   HG21  VAL   5          HG21      VAL   5  33.224   4.932 -12.000
   44   HG22  VAL   5          HG22      VAL   5  33.745   4.162 -10.502
   45   HG23  VAL   5          HG23      VAL   5  32.304   5.180 -10.516
   46    H    GLY   6           HN       GLY   6  33.157   3.333  -8.444
   47    HA2  GLY   6           HA2      GLY   6  34.552   0.741  -8.357
   48    HA3  GLY   6           HA1      GLY   6  35.249   2.288  -7.900
   49    H    THR   7           HN       THR   7  34.356  -0.535  -6.663
   50    HA   THR   7           HA       THR   7  33.815   0.623  -4.028
   51    HB   THR   7           HB       THR   7  31.617  -0.037  -4.783
   52    HG1  THR   7           HG1      THR   7  32.194  -2.193  -3.105
   53   HG21  THR   7          HG21      THR   7  32.196  -1.678  -6.504
   54   HG22  THR   7          HG22      THR   7  31.037  -2.357  -5.359
   55   HG23  THR   7          HG23      THR   7  32.741  -2.807  -5.261
   56    H    CYS   8           HN       CYS   8  34.910  -0.284  -2.390
   57    HA   CYS   8           HA       CYS   8  36.346  -2.805  -2.889
   58    HB2  CYS   8           HB2      CYS   8  38.265  -1.871  -1.606
   59    HB3  CYS   8           HB1      CYS   8  37.954  -1.012  -3.115
   60    HA   PRO   9           HA       PRO   9  34.643  -4.233   0.977
   61    HB2  PRO   9           HB2      PRO   9  36.665  -5.840   1.908
   62    HB3  PRO   9           HB1      PRO   9  35.556  -6.311   0.602
   63    HG2  PRO   9           HG2      PRO   9  38.326  -5.225   0.423
   64    HG3  PRO   9           HG1      PRO   9  37.572  -6.553  -0.491
   65    HD2  PRO   9           HD2      PRO   9  37.864  -4.111  -1.560
   66    HD3  PRO   9           HD1      PRO   9  36.445  -5.115  -1.910
   67    H    SER  10           HN       SER  10  34.983  -4.292   3.328
   68    HA   SER  10           HA       SER  10  36.089  -1.855   4.302
   69    HB2  SER  10           HB2      SER  10  35.005  -4.244   5.811
   70    HB3  SER  10           HB1      SER  10  35.355  -2.667   6.519
   71    HG   SER  10           HG       SER  10  33.364  -3.361   4.644
   72    H    GLY  11           HN       GLY  11  37.849  -1.457   5.580
   73    HA2  GLY  11           HA2      GLY  11  39.730  -2.057   6.910
   74    HA3  GLY  11           HA1      GLY  11  39.677  -3.671   6.206
   75    H    TYR  12           HN       TYR  12  39.465  -0.718   4.330
   76    HA   TYR  12           HA       TYR  12  42.225  -1.054   3.372
   77    HB2  TYR  12           HB2      TYR  12  39.742  -1.422   1.854
   78    HB3  TYR  12           HB1      TYR  12  40.853  -0.271   1.106
   79    HD1  TYR  12           HD1      TYR  12  42.986  -0.987   0.243
   80    HD2  TYR  12           HD2      TYR  12  40.353  -3.771   2.086
   81    HE1  TYR  12           HE1      TYR  12  44.314  -2.838  -0.675
   82    HE2  TYR  12           HE2      TYR  12  41.672  -5.635   1.171
   83    HH   TYR  12           HH       TYR  12  44.748  -5.213  -0.195
   84    H    VAL  13           HN       VAL  13  42.960   0.880   2.063
   85    HA   VAL  13           HA       VAL  13  41.933   3.323   3.338
   86    HB   VAL  13           HB       VAL  13  44.552   2.954   1.845
   87   HG11  VAL  13          HG11      VAL  13  43.787   5.278   1.838
   88   HG12  VAL  13          HG12      VAL  13  45.205   5.085   2.867
   89   HG13  VAL  13          HG13      VAL  13  43.604   5.231   3.592
   90   HG21  VAL  13          HG21      VAL  13  44.700   1.632   3.809
   91   HG22  VAL  13          HG22      VAL  13  43.931   2.879   4.790
   92   HG23  VAL  13          HG23      VAL  13  45.554   3.137   4.151
   93    H    ARG  14           HN       ARG  14  40.452   4.371   2.186
   94    HA   ARG  14           HA       ARG  14  40.480   4.236  -0.745
   95    HB2  ARG  14           HB2      ARG  14  38.347   5.319   1.094
   96    HB3  ARG  14           HB1      ARG  14  38.189   5.044  -0.641
   97    HG2  ARG  14           HG2      ARG  14  38.389   2.636  -0.300
   98    HG3  ARG  14           HG1      ARG  14  38.577   2.894   1.441
   99    HD2  ARG  14           HD2      ARG  14  36.344   3.930   1.502
  100    HD3  ARG  14           HD1      ARG  14  36.161   3.606  -0.220
  101    HE   ARG  14           HE       ARG  14  36.741   1.181   0.971
  102   HH11  ARG  14          HH11      ARG  14  34.162   3.553   1.199
  103   HH12  ARG  14          HH12      ARG  14  32.964   2.379   1.634
  104   HH21  ARG  14          HH21      ARG  14  33.530   0.179   1.829
  105   HH22  ARG  14          HH22      ARG  14  35.157  -0.338   1.544
  106    H    ARG  15           HN       ARG  15  41.895   5.775  -1.439
  107    HA   ARG  15           HA       ARG  15  41.131   8.551  -1.052
  108    HB2  ARG  15           HB2      ARG  15  43.843   7.499  -0.230
  109    HB3  ARG  15           HB1      ARG  15  43.542   9.198  -0.565
  110    HG2  ARG  15           HG2      ARG  15  42.090   9.414   1.275
  111    HG3  ARG  15           HG1      ARG  15  41.940   7.662   1.468
  112    HD2  ARG  15           HD2      ARG  15  44.299   7.546   2.124
  113    HD3  ARG  15           HD1      ARG  15  44.450   9.290   1.918
  114    HE   ARG  15           HE       ARG  15  42.363   8.737   3.724
  115   HH11  ARG  15          HH11      ARG  15  45.871   8.625   3.583
  116   HH12  ARG  15          HH12      ARG  15  46.060   8.855   5.289
  117   HH21  ARG  15          HH21      ARG  15  42.636   9.037   5.953
  118   HH22  ARG  15          HH22      ARG  15  44.230   9.088   6.630
  119    H    GLY  16           HN       GLY  16  41.484   9.766  -2.829
  120    HA2  GLY  16           HA2      GLY  16  42.331  10.422  -4.888
  121    HA3  GLY  16           HA1      GLY  16  43.461   9.072  -4.820
  122    H    THR  17           HN       THR  17  39.936   8.978  -4.590
  123    HA   THR  17           HA       THR  17  38.303   7.901  -5.711
  124    HB   THR  17           HB       THR  17  38.320   7.934  -8.197
  125    HG1  THR  17           HG1      THR  17  40.563   9.521  -8.352
  126   HG21  THR  17          HG21      THR  17  39.104  10.534  -6.876
  127   HG22  THR  17          HG22      THR  17  37.480   9.853  -6.947
  128   HG23  THR  17          HG23      THR  17  38.282  10.374  -8.428
  129    H    PHE  18           HN       PHE  18  40.780   6.301  -4.885
  130    HA   PHE  18           HA       PHE  18  39.832   3.790  -5.926
  131    HB2  PHE  18           HB2      PHE  18  42.194   3.024  -6.578
  132    HB3  PHE  18           HB1      PHE  18  41.337   4.044  -7.716
  133    HD1  PHE  18           HD1      PHE  18  43.729   4.437  -4.846
  134    HD2  PHE  18           HD2      PHE  18  42.559   5.677  -8.751
  135    HE1  PHE  18           HE1      PHE  18  45.675   5.937  -4.952
  136    HE2  PHE  18           HE2      PHE  18  44.501   7.181  -8.855
  137    HZ   PHE  18           HZ       PHE  18  46.062   7.312  -6.956
  138    H    CYS  19           HN       CYS  19  40.531   1.970  -4.751
  139    HA   CYS  19           HA       CYS  19  41.523   2.630  -2.068
  140    HB2  CYS  19           HB2      CYS  19  40.256   0.039  -2.976
  141    HB3  CYS  19           HB1      CYS  19  40.494   0.597  -1.319
  142    H    PHE  20           HN       PHE  20  43.429   1.875  -1.313
  143    HA   PHE  20           HA       PHE  20  44.841  -0.135  -2.915
  144    HB2  PHE  20           HB2      PHE  20  46.940   1.068  -2.673
  145    HB3  PHE  20           HB1      PHE  20  45.733   2.141  -3.381
  146    HD1  PHE  20           HD1      PHE  20  47.996   1.580  -0.640
  147    HD2  PHE  20           HD2      PHE  20  44.679   3.908  -1.942
  148    HE1  PHE  20           HE1      PHE  20  48.459   3.221   1.131
  149    HE2  PHE  20           HE2      PHE  20  45.139   5.556  -0.172
  150    HZ   PHE  20           HZ       PHE  20  47.028   5.206   1.370
  151    HA   PRO  21           HA       PRO  21  45.671  -2.094   1.039
  152    HB2  PRO  21           HB2      PRO  21  48.240  -3.173   0.232
  153    HB3  PRO  21           HB1      PRO  21  46.683  -4.017   0.369
  154    HG2  PRO  21           HG2      PRO  21  47.926  -3.593  -1.997
  155    HG3  PRO  21           HG1      PRO  21  46.162  -3.702  -1.825
  156    HD2  PRO  21           HD2      PRO  21  47.884  -1.254  -2.044
  157    HD3  PRO  21           HD1      PRO  21  46.347  -1.630  -2.853
  158    H    ASP  22           HN       ASP  22  46.505  -1.609   2.927
  159    HA   ASP  22           HA       ASP  22  49.144  -0.674   3.420
  160    HB2  ASP  22           HB2      ASP  22  47.957   1.396   2.455
  161    HB3  ASP  22           HB1      ASP  22  47.000   1.397   3.935
  162    H    ASP  23           HN       ASP  23  45.796  -0.537   4.631
  163    HA   ASP  23           HA       ASP  23  46.608  -1.060   7.356
  164    HB2  ASP  23           HB2      ASP  23  44.688   0.470   6.579
  165    HB3  ASP  23           HB1      ASP  23  43.777  -1.011   6.307
  166    H    ASP  24           HN       ASP  24  45.324  -2.832   4.615
  167    HA   ASP  24           HA       ASP  24  45.635  -5.334   6.093
  168    HB2  ASP  24           HB2      ASP  24  43.095  -4.494   4.689
  169    HB3  ASP  24           HB1      ASP  24  43.471  -6.180   5.033
  170    H    TYR  25           HN       TYR  25  47.111  -6.400   4.941
  171    HA   TYR  25           HA       TYR  25  47.123  -6.159   2.017
  172    HB2  TYR  25           HB2      TYR  25  49.234  -7.083   3.973
  173    HB3  TYR  25           HB1      TYR  25  49.406  -7.246   2.230
  174    HD1  TYR  25           HD1      TYR  25  49.353  -4.904   5.043
  175    HD2  TYR  25           HD2      TYR  25  49.769  -5.290   0.827
  176    HE1  TYR  25           HE1      TYR  25  50.247  -2.617   4.928
  177    HE2  TYR  25           HE2      TYR  25  50.664  -3.005   0.701
  178    HH   TYR  25           HH       TYR  25  51.660  -1.264   3.433
  Start of MODEL    4
    1    H1   PHE   1           HT1      PHE   1  24.857  -9.838  -0.526
    2    H2   PHE   1           HT2      PHE   1  26.256  -8.891  -0.443
    3    H3   PHE   1           HT3      PHE   1  25.229  -9.001   0.897
    4    HA   PHE   1           HA       PHE   1  25.726 -11.327   1.153
    5    HB2  PHE   1           HB2      PHE   1  27.484 -10.849  -1.257
    6    HB3  PHE   1           HB1      PHE   1  27.632 -12.263  -0.220
    7    HD1  PHE   1           HD1      PHE   1  25.599 -10.578  -2.745
    8    HD2  PHE   1           HD2      PHE   1  25.947 -13.999  -0.238
    9    HE1  PHE   1           HE1      PHE   1  23.864 -11.717  -4.066
   10    HE2  PHE   1           HE2      PHE   1  24.213 -15.146  -1.555
   11    HZ   PHE   1           HZ       PHE   1  23.170 -14.005  -3.473
   12    H    GLY   2           HN       GLY   2  27.988  -8.737   0.284
   13    HA2  GLY   2           HA2      GLY   2  29.404  -9.230   2.832
   14    HA3  GLY   2           HA1      GLY   2  30.272  -8.849   1.352
   15    H    VAL   3           HN       VAL   3  29.050  -6.792   0.253
   16    HA   VAL   3           HA       VAL   3  28.714  -4.744   2.331
   17    HB   VAL   3           HB       VAL   3  29.995  -3.134   0.810
   18   HG11  VAL   3          HG11      VAL   3  32.155  -3.759   1.787
   19   HG12  VAL   3          HG12      VAL   3  31.492  -5.335   2.220
   20   HG13  VAL   3          HG13      VAL   3  30.839  -3.872   2.956
   21   HG21  VAL   3          HG21      VAL   3  31.099  -5.720  -0.306
   22   HG22  VAL   3          HG22      VAL   3  31.758  -4.109  -0.597
   23   HG23  VAL   3          HG23      VAL   3  30.151  -4.527  -1.195
   24    H    ARG   4           HN       ARG   4  27.525  -2.887   1.725
   25    HA   ARG   4           HA       ARG   4  25.618  -3.417  -0.426
   26    HB2  ARG   4           HB2      ARG   4  24.324  -1.495   0.685
   27    HB3  ARG   4           HB1      ARG   4  24.416  -3.025   1.538
   28    HG2  ARG   4           HG2      ARG   4  26.098  -2.143   3.030
   29    HG3  ARG   4           HG1      ARG   4  26.164  -0.638   2.118
   30    HD2  ARG   4           HD2      ARG   4  23.831  -0.183   2.695
   31    HD3  ARG   4           HD1      ARG   4  23.759  -1.696   3.596
   32    HE   ARG   4           HE       ARG   4  25.876  -0.134   4.585
   33   HH11  ARG   4          HH11      ARG   4  22.242   0.711   6.073
   34   HH12  ARG   4          HH12      ARG   4  22.365  -0.150   4.575
   35   HH21  ARG   4          HH21      ARG   4  25.692   0.990   6.545
   36   HH22  ARG   4          HH22      ARG   4  24.125   1.356   7.186
   37    H    VAL   5           HN       VAL   5  27.754  -0.847   0.738
   38    HA   VAL   5           HA       VAL   5  27.739   0.293  -1.968
   39    HB   VAL   5           HB       VAL   5  27.978   2.605  -0.923
   40   HG11  VAL   5          HG11      VAL   5  25.550   2.912  -0.745
   41   HG12  VAL   5          HG12      VAL   5  25.343   1.162  -0.681
   42   HG13  VAL   5          HG13      VAL   5  25.998   1.921  -2.133
   43   HG21  VAL   5          HG21      VAL   5  26.504   1.493   1.443
   44   HG22  VAL   5          HG22      VAL   5  27.293   3.059   1.259
   45   HG23  VAL   5          HG23      VAL   5  28.264   1.599   1.448
   46    H    GLY   6           HN       GLY   6  29.693   0.316  -2.796
   47    HA2  GLY   6           HA2      GLY   6  31.960   1.477  -2.178
   48    HA3  GLY   6           HA1      GLY   6  32.024   0.156  -1.022
   49    H    THR   7           HN       THR   7  33.983   0.534  -2.944
   50    HA   THR   7           HA       THR   7  33.471  -1.473  -5.018
   51    HB   THR   7           HB       THR   7  35.753  -0.739  -5.880
   52    HG1  THR   7           HG1      THR   7  36.216   1.502  -5.080
   53   HG21  THR   7          HG21      THR   7  33.669   0.011  -6.916
   54   HG22  THR   7          HG22      THR   7  34.871   1.300  -6.922
   55   HG23  THR   7          HG23      THR   7  33.554   1.329  -5.750
   56    H    CYS   8           HN       CYS   8  35.749  -0.743  -2.411
   57    HA   CYS   8           HA       CYS   8  36.765  -3.502  -2.560
   58    HB2  CYS   8           HB2      CYS   8  38.733  -2.634  -1.289
   59    HB3  CYS   8           HB1      CYS   8  38.531  -1.883  -2.874
   60    HA   PRO   9           HA       PRO   9  34.879  -4.523   1.348
   61    HB2  PRO   9           HB2      PRO   9  36.805  -6.132   2.481
   62    HB3  PRO   9           HB1      PRO   9  35.691  -6.669   1.206
   63    HG2  PRO   9           HG2      PRO   9  38.514  -5.740   0.975
   64    HG3  PRO   9           HG1      PRO   9  37.708  -7.113   0.179
   65    HD2  PRO   9           HD2      PRO   9  38.133  -4.819  -1.125
   66    HD3  PRO   9           HD1      PRO   9  36.648  -5.757  -1.377
   67    H    SER  10           HN       SER  10  35.150  -4.399   3.708
   68    HA   SER  10           HA       SER  10  36.196  -1.922   4.545
   69    HB2  SER  10           HB2      SER  10  34.277  -3.153   5.602
   70    HB3  SER  10           HB1      SER  10  35.451  -4.250   6.327
   71    HG   SER  10           HG       SER  10  35.818  -1.504   6.686
   72    H    GLY  11           HN       GLY  11  37.995  -1.323   5.642
   73    HA2  GLY  11           HA2      GLY  11  39.951  -1.709   6.954
   74    HA3  GLY  11           HA1      GLY  11  39.979  -3.369   6.367
   75    H    TYR  12           HN       TYR  12  39.531  -0.529   4.344
   76    HA   TYR  12           HA       TYR  12  42.238  -0.856   3.241
   77    HB2  TYR  12           HB2      TYR  12  39.621  -1.050   1.844
   78    HB3  TYR  12           HB1      TYR  12  40.906  -0.174   1.007
   79    HD1  TYR  12           HD1      TYR  12  39.807  -3.442   2.259
   80    HD2  TYR  12           HD2      TYR  12  42.881  -1.321   0.224
   81    HE1  TYR  12           HE1      TYR  12  40.775  -5.575   1.505
   82    HE2  TYR  12           HE2      TYR  12  43.857  -3.441  -0.532
   83    HH   TYR  12           HH       TYR  12  43.868  -5.811   0.138
   84    H    VAL  13           HN       VAL  13  42.996   1.028   1.994
   85    HA   VAL  13           HA       VAL  13  41.983   3.513   3.195
   86    HB   VAL  13           HB       VAL  13  44.644   3.024   1.814
   87   HG11  VAL  13          HG11      VAL  13  45.316   5.197   2.739
   88   HG12  VAL  13          HG12      VAL  13  43.687   5.431   3.371
   89   HG13  VAL  13          HG13      VAL  13  43.956   5.362   1.630
   90   HG21  VAL  13          HG21      VAL  13  44.484   1.822   3.931
   91   HG22  VAL  13          HG22      VAL  13  44.012   3.311   4.750
   92   HG23  VAL  13          HG23      VAL  13  45.624   3.163   4.051
   93    H    ARG  14           HN       ARG  14  40.416   4.340   1.960
   94    HA   ARG  14           HA       ARG  14  40.666   4.333  -0.966
   95    HB2  ARG  14           HB2      ARG  14  38.315   5.090   0.771
   96    HB3  ARG  14           HB1      ARG  14  38.296   4.942  -0.986
   97    HG2  ARG  14           HG2      ARG  14  38.740   2.538  -0.793
   98    HG3  ARG  14           HG1      ARG  14  38.743   2.685   0.969
   99    HD2  ARG  14           HD2      ARG  14  36.395   3.489  -0.737
  100    HD3  ARG  14           HD1      ARG  14  36.595   1.856  -0.103
  101    HE   ARG  14           HE       ARG  14  36.834   3.588   2.052
  102   HH11  ARG  14          HH11      ARG  14  34.329   2.718  -0.252
  103   HH12  ARG  14          HH12      ARG  14  33.037   3.061   0.850
  104   HH21  ARG  14          HH21      ARG  14  33.489   3.801   2.958
  105   HH22  ARG  14          HH22      ARG  14  35.126   4.028   3.476
  106    H    ARG  15           HN       ARG  15  41.966   6.038  -1.492
  107    HA   ARG  15           HA       ARG  15  40.906   8.703  -1.013
  108    HB2  ARG  15           HB2      ARG  15  43.680   7.882  -0.127
  109    HB3  ARG  15           HB1      ARG  15  43.194   9.557  -0.344
  110    HG2  ARG  15           HG2      ARG  15  41.481   7.868   1.401
  111    HG3  ARG  15           HG1      ARG  15  43.079   8.323   2.018
  112    HD2  ARG  15           HD2      ARG  15  42.554  10.687   1.618
  113    HD3  ARG  15           HD1      ARG  15  40.964  10.228   1.008
  114    HE   ARG  15           HE       ARG  15  41.272   9.170   3.584
  115   HH11  ARG  15          HH11      ARG  15  40.912  12.312   2.058
  116   HH12  ARG  15          HH12      ARG  15  40.166  13.029   3.447
  117   HH21  ARG  15          HH21      ARG  15  40.293  10.128   5.390
  118   HH22  ARG  15          HH22      ARG  15  39.816  11.792   5.331
  119    H    GLY  16           HN       GLY  16  41.240  10.068  -2.683
  120    HA2  GLY  16           HA2      GLY  16  42.109  10.923  -4.657
  121    HA3  GLY  16           HA1      GLY  16  43.350   9.674  -4.618
  122    H    THR  17           HN       THR  17  39.905   9.046  -4.444
  123    HA   THR  17           HA       THR  17  38.421   7.913  -5.699
  124    HB   THR  17           HB       THR  17  38.407   8.131  -8.152
  125    HG1  THR  17           HG1      THR  17  40.926   9.388  -7.742
  126   HG21  THR  17          HG21      THR  17  38.173  10.571  -8.258
  127   HG22  THR  17          HG22      THR  17  39.002  10.715  -6.708
  128   HG23  THR  17          HG23      THR  17  37.436   9.910  -6.798
  129    H    PHE  18           HN       PHE  18  41.062   6.610  -4.902
  130    HA   PHE  18           HA       PHE  18  40.559   4.130  -6.354
  131    HB2  PHE  18           HB2      PHE  18  43.020   3.669  -6.573
  132    HB3  PHE  18           HB1      PHE  18  42.416   4.934  -7.625
  133    HD1  PHE  18           HD1      PHE  18  44.165   4.446  -4.357
  134    HD2  PHE  18           HD2      PHE  18  43.536   6.953  -7.740
  135    HE1  PHE  18           HE1      PHE  18  45.960   5.938  -3.582
  136    HE2  PHE  18           HE2      PHE  18  45.326   8.449  -6.966
  137    HZ   PHE  18           HZ       PHE  18  46.542   7.943  -4.886
  138    H    CYS  19           HN       CYS  19  40.964   2.257  -5.224
  139    HA   CYS  19           HA       CYS  19  41.537   2.612  -2.355
  140    HB2  CYS  19           HB2      CYS  19  39.257   1.774  -2.947
  141    HB3  CYS  19           HB1      CYS  19  40.009   0.363  -3.693
  142    H    PHE  20           HN       PHE  20  43.374   1.772  -1.600
  143    HA   PHE  20           HA       PHE  20  44.617  -0.438  -3.080
  144    HB2  PHE  20           HB2      PHE  20  46.825   0.553  -2.770
  145    HB3  PHE  20           HB1      PHE  20  45.766   1.701  -3.588
  146    HD1  PHE  20           HD1      PHE  20  44.786   3.607  -2.245
  147    HD2  PHE  20           HD2      PHE  20  47.870   1.085  -0.746
  148    HE1  PHE  20           HE1      PHE  20  45.323   5.287  -0.529
  149    HE2  PHE  20           HE2      PHE  20  48.414   2.763   0.967
  150    HZ   PHE  20           HZ       PHE  20  47.136   4.858   1.083
  151    HA   PRO  21           HA       PRO  21  45.129  -2.302   0.970
  152    HB2  PRO  21           HB2      PRO  21  47.522  -3.762   0.337
  153    HB3  PRO  21           HB1      PRO  21  45.848  -4.355   0.317
  154    HG2  PRO  21           HG2      PRO  21  47.413  -4.089  -1.914
  155    HG3  PRO  21           HG1      PRO  21  45.639  -4.074  -1.922
  156    HD2  PRO  21           HD2      PRO  21  47.548  -1.768  -2.024
  157    HD3  PRO  21           HD1      PRO  21  46.032  -2.025  -2.916
  158    H    ASP  22           HN       ASP  22  45.907  -1.715   2.843
  159    HA   ASP  22           HA       ASP  22  48.672  -1.099   3.332
  160    HB2  ASP  22           HB2      ASP  22  47.744   1.036   2.332
  161    HB3  ASP  22           HB1      ASP  22  46.662   1.135   3.717
  162    H    ASP  23           HN       ASP  23  45.373  -0.580   4.599
  163    HA   ASP  23           HA       ASP  23  46.219  -1.282   7.292
  164    HB2  ASP  23           HB2      ASP  23  44.620   0.645   6.637
  165    HB3  ASP  23           HB1      ASP  23  43.405  -0.613   6.446
  166    H    ASP  24           HN       ASP  24  45.183  -2.945   4.586
  167    HA   ASP  24           HA       ASP  24  43.714  -4.997   6.077
  168    HB2  ASP  24           HB2      ASP  24  43.016  -3.990   3.760
  169    HB3  ASP  24           HB1      ASP  24  44.210  -5.114   3.119
  170    H    TYR  25           HN       TYR  25  46.600  -4.590   4.053
  171    HA   TYR  25           HA       TYR  25  47.483  -7.304   4.725
  172    HB2  TYR  25           HB2      TYR  25  47.467  -6.314   2.316
  173    HB3  TYR  25           HB1      TYR  25  48.918  -5.461   2.828
  174    HD1  TYR  25           HD1      TYR  25  47.476  -8.731   2.022
  175    HD2  TYR  25           HD2      TYR  25  50.991  -6.665   3.236
  176    HE1  TYR  25           HE1      TYR  25  48.823 -10.718   1.485
  177    HE2  TYR  25           HE2      TYR  25  52.347  -8.645   2.701
  178    HH   TYR  25           HH       TYR  25  52.049 -11.073   2.470
  Start of MODEL    5
    1    H1   PHE   1           HT1      PHE   1  38.220  11.145 -19.466
    2    H2   PHE   1           HT2      PHE   1  38.521   9.554 -19.955
    3    H3   PHE   1           HT3      PHE   1  38.323   9.911 -18.313
    4    HA   PHE   1           HA       PHE   1  36.036  10.525 -18.669
    5    HB2  PHE   1           HB2      PHE   1  36.670   9.797 -21.534
    6    HB3  PHE   1           HB1      PHE   1  35.030   9.963 -20.918
    7    HD1  PHE   1           HD1      PHE   1  38.088  11.729 -21.854
    8    HD2  PHE   1           HD2      PHE   1  34.125  12.138 -20.361
    9    HE1  PHE   1           HE1      PHE   1  38.170  14.145 -22.311
   10    HE2  PHE   1           HE2      PHE   1  34.199  14.555 -20.815
   11    HZ   PHE   1           HZ       PHE   1  36.224  15.560 -21.791
   12    H    GLY   2           HN       GLY   2  34.553   9.000 -18.118
   13    HA2  GLY   2           HA2      GLY   2  33.785   6.638 -18.678
   14    HA3  GLY   2           HA1      GLY   2  35.445   6.192 -18.308
   15    H    VAL   3           HN       VAL   3  32.936   5.328 -17.064
   16    HA   VAL   3           HA       VAL   3  33.641   5.971 -14.293
   17    HB   VAL   3           HB       VAL   3  31.149   5.911 -13.716
   18   HG11  VAL   3          HG11      VAL   3  30.883   8.310 -14.148
   19   HG12  VAL   3          HG12      VAL   3  32.251   8.252 -15.260
   20   HG13  VAL   3          HG13      VAL   3  32.493   7.918 -13.545
   21   HG21  VAL   3          HG21      VAL   3  30.270   5.116 -15.856
   22   HG22  VAL   3          HG22      VAL   3  30.874   6.566 -16.656
   23   HG23  VAL   3          HG23      VAL   3  29.594   6.694 -15.451
   24    H    ARG   4           HN       ARG   4  34.067   4.191 -13.216
   25    HA   ARG   4           HA       ARG   4  32.917   1.641 -14.122
   26    HB2  ARG   4           HB2      ARG   4  35.415   2.297 -12.567
   27    HB3  ARG   4           HB1      ARG   4  34.778   0.661 -12.669
   28    HG2  ARG   4           HG2      ARG   4  35.013   0.716 -15.099
   29    HG3  ARG   4           HG1      ARG   4  35.642   2.362 -15.001
   30    HD2  ARG   4           HD2      ARG   4  37.525   1.559 -13.660
   31    HD3  ARG   4           HD1      ARG   4  36.895  -0.085 -13.757
   32    HE   ARG   4           HE       ARG   4  37.208   0.885 -16.361
   33   HH11  ARG   4          HH11      ARG   4  40.583  -0.465 -14.651
   34   HH12  ARG   4          HH12      ARG   4  39.245  -0.019 -13.647
   35   HH21  ARG   4          HH21      ARG   4  38.972   0.294 -17.656
   36   HH22  ARG   4          HH22      ARG   4  40.427  -0.288 -16.920
   37    H    VAL   5           HN       VAL   5  31.965   0.211 -12.685
   38    HA   VAL   5           HA       VAL   5  31.114   1.401 -10.134
   39    HB   VAL   5           HB       VAL   5  29.314   0.944 -11.811
   40   HG11  VAL   5          HG11      VAL   5  28.522  -1.361 -12.148
   41   HG12  VAL   5          HG12      VAL   5  29.963  -1.958 -11.326
   42   HG13  VAL   5          HG13      VAL   5  30.116  -1.080 -12.847
   43   HG21  VAL   5          HG21      VAL   5  29.099  -0.589  -9.226
   44   HG22  VAL   5          HG22      VAL   5  27.742  -0.098 -10.239
   45   HG23  VAL   5          HG23      VAL   5  28.752   1.124  -9.467
   46    H    GLY   6           HN       GLY   6  31.211   0.230  -8.234
   47    HA2  GLY   6           HA2      GLY   6  31.551  -2.321  -7.588
   48    HA3  GLY   6           HA1      GLY   6  33.148  -1.953  -8.223
   49    H    THR   7           HN       THR   7  31.880  -2.550  -5.464
   50    HA   THR   7           HA       THR   7  32.840  -0.213  -3.974
   51    HB   THR   7           HB       THR   7  31.897  -1.481  -1.973
   52    HG1  THR   7           HG1      THR   7  30.123  -2.916  -3.388
   53   HG21  THR   7          HG21      THR   7  30.717   0.398  -2.998
   54   HG22  THR   7          HG22      THR   7  29.581  -0.843  -2.470
   55   HG23  THR   7          HG23      THR   7  29.989  -0.693  -4.179
   56    H    CYS   8           HN       CYS   8  34.424  -0.349  -2.384
   57    HA   CYS   8           HA       CYS   8  36.370  -2.465  -2.762
   58    HB2  CYS   8           HB2      CYS   8  36.503   0.076  -1.126
   59    HB3  CYS   8           HB1      CYS   8  37.847  -1.003  -1.468
   60    HA   PRO   9           HA       PRO   9  35.360  -4.711   0.969
   61    HB2  PRO   9           HB2      PRO   9  37.839  -5.595   1.753
   62    HB3  PRO   9           HB1      PRO   9  36.917  -6.312   0.413
   63    HG2  PRO   9           HG2      PRO   9  39.147  -4.338   0.324
   64    HG3  PRO   9           HG1      PRO   9  38.855  -5.760  -0.705
   65    HD2  PRO   9           HD2      PRO   9  38.272  -3.270  -1.537
   66    HD3  PRO   9           HD1      PRO   9  37.278  -4.667  -1.995
   67    H    SER  10           HN       SER  10  35.773  -4.826   3.308
   68    HA   SER  10           HA       SER  10  36.174  -2.195   4.420
   69    HB2  SER  10           HB2      SER  10  35.510  -4.826   5.759
   70    HB3  SER  10           HB1      SER  10  35.495  -3.252   6.552
   71    HG   SER  10           HG       SER  10  33.533  -4.380   5.230
   72    H    GLY  11           HN       GLY  11  37.845  -1.443   5.573
   73    HA2  GLY  11           HA2      GLY  11  39.741  -1.595   6.985
   74    HA3  GLY  11           HA1      GLY  11  39.942  -3.276   6.496
   75    H    TYR  12           HN       TYR  12  39.408  -0.705   4.185
   76    HA   TYR  12           HA       TYR  12  42.214  -0.922   3.306
   77    HB2  TYR  12           HB2      TYR  12  39.678  -1.211   1.812
   78    HB3  TYR  12           HB1      TYR  12  40.912  -0.228   1.021
   79    HD1  TYR  12           HD1      TYR  12  40.103  -3.594   2.284
   80    HD2  TYR  12           HD2      TYR  12  42.919  -1.206   0.176
   81    HE1  TYR  12           HE1      TYR  12  41.247  -5.633   1.514
   82    HE2  TYR  12           HE2      TYR  12  44.074  -3.231  -0.594
   83    HH   TYR  12           HH       TYR  12  42.724  -6.334  -0.321
   84    H    VAL  13           HN       VAL  13  42.974   0.964   1.996
   85    HA   VAL  13           HA       VAL  13  41.961   3.443   3.205
   86    HB   VAL  13           HB       VAL  13  44.611   2.955   1.809
   87   HG11  VAL  13          HG11      VAL  13  45.281   5.139   2.738
   88   HG12  VAL  13          HG12      VAL  13  43.638   5.378   3.332
   89   HG13  VAL  13          HG13      VAL  13  43.943   5.288   1.598
   90   HG21  VAL  13          HG21      VAL  13  43.949   3.217   4.740
   91   HG22  VAL  13          HG22      VAL  13  45.580   3.171   4.074
   92   HG23  VAL  13          HG23      VAL  13  44.522   1.769   3.913
   93    H    ARG  14           HN       ARG  14  40.426   4.346   2.001
   94    HA   ARG  14           HA       ARG  14  40.588   4.283  -0.929
   95    HB2  ARG  14           HB2      ARG  14  38.319   5.197   0.841
   96    HB3  ARG  14           HB1      ARG  14  38.248   4.949  -0.902
   97    HG2  ARG  14           HG2      ARG  14  38.590   2.546  -0.589
   98    HG3  ARG  14           HG1      ARG  14  38.666   2.787   1.162
   99    HD2  ARG  14           HD2      ARG  14  36.290   3.599  -0.498
  100    HD3  ARG  14           HD1      ARG  14  36.447   1.995   0.216
  101    HE   ARG  14           HE       ARG  14  36.837   3.849   2.253
  102   HH11  ARG  14          HH11      ARG  14  34.216   2.880   0.127
  103   HH12  ARG  14          HH12      ARG  14  32.981   3.317   1.261
  104   HH21  ARG  14          HH21      ARG  14  33.543   4.183   3.294
  105   HH22  ARG  14          HH22      ARG  14  35.205   4.413   3.722
  106    H    ARG  15           HN       ARG  15  41.931   5.932  -1.532
  107    HA   ARG  15           HA       ARG  15  40.985   8.641  -1.047
  108    HB2  ARG  15           HB2      ARG  15  43.756   7.716  -0.269
  109    HB3  ARG  15           HB1      ARG  15  43.341   9.409  -0.504
  110    HG2  ARG  15           HG2      ARG  15  41.900   9.433   1.344
  111    HG3  ARG  15           HG1      ARG  15  41.810   7.667   1.411
  112    HD2  ARG  15           HD2      ARG  15  44.171   7.589   2.078
  113    HD3  ARG  15           HD1      ARG  15  44.255   9.349   2.006
  114    HE   ARG  15           HE       ARG  15  42.177   8.634   3.739
  115   HH11  ARG  15          HH11      ARG  15  45.684   8.466   3.639
  116   HH12  ARG  15          HH12      ARG  15  45.849   8.529   5.362
  117   HH21  ARG  15          HH21      ARG  15  42.417   8.715   5.991
  118   HH22  ARG  15          HH22      ARG  15  44.001   8.670   6.692
  119    H    GLY  16           HN       GLY  16  41.303   9.985  -2.739
  120    HA2  GLY  16           HA2      GLY  16  42.106  10.785  -4.765
  121    HA3  GLY  16           HA1      GLY  16  43.286   9.476  -4.780
  122    H    THR  17           HN       THR  17  39.924   8.752  -4.320
  123    HA   THR  17           HA       THR  17  38.309   7.734  -5.540
  124    HB   THR  17           HB       THR  17  39.645   8.248  -8.176
  125    HG1  THR  17           HG1      THR  17  38.841  10.185  -6.325
  126   HG21  THR  17          HG21      THR  17  37.453   7.147  -8.115
  127   HG22  THR  17          HG22      THR  17  37.341   8.738  -8.870
  128   HG23  THR  17          HG23      THR  17  36.790   8.508  -7.210
  129    H    PHE  18           HN       PHE  18  40.983   6.431  -4.827
  130    HA   PHE  18           HA       PHE  18  40.459   3.937  -6.256
  131    HB2  PHE  18           HB2      PHE  18  42.875   3.506  -6.613
  132    HB3  PHE  18           HB1      PHE  18  42.295   4.884  -7.532
  133    HD1  PHE  18           HD1      PHE  18  43.133   7.091  -7.115
  134    HD2  PHE  18           HD2      PHE  18  44.376   3.817  -4.700
  135    HE1  PHE  18           HE1      PHE  18  44.961   8.463  -6.203
  136    HE2  PHE  18           HE2      PHE  18  46.204   5.182  -3.780
  137    HZ   PHE  18           HZ       PHE  18  46.498   7.509  -4.531
  138    H    CYS  19           HN       CYS  19  41.005   2.057  -5.147
  139    HA   CYS  19           HA       CYS  19  41.549   2.432  -2.277
  140    HB2  CYS  19           HB2      CYS  19  40.169   0.116  -3.660
  141    HB3  CYS  19           HB1      CYS  19  40.384   0.304  -1.918
  142    H    PHE  20           HN       PHE  20  43.420   1.688  -1.493
  143    HA   PHE  20           HA       PHE  20  44.813  -0.420  -2.981
  144    HB2  PHE  20           HB2      PHE  20  46.951   0.696  -2.683
  145    HB3  PHE  20           HB1      PHE  20  45.825   1.798  -3.474
  146    HD1  PHE  20           HD1      PHE  20  44.778   3.645  -2.118
  147    HD2  PHE  20           HD2      PHE  20  47.961   1.237  -0.640
  148    HE1  PHE  20           HE1      PHE  20  45.242   5.327  -0.383
  149    HE2  PHE  20           HE2      PHE  20  48.431   2.915   1.094
  150    HZ   PHE  20           HZ       PHE  20  47.068   4.955   1.230
  151    HA   PRO  21           HA       PRO  21  45.395  -2.289   1.057
  152    HB2  PRO  21           HB2      PRO  21  47.905  -3.560   0.409
  153    HB3  PRO  21           HB1      PRO  21  46.284  -4.286   0.437
  154    HG2  PRO  21           HG2      PRO  21  47.751  -3.947  -1.835
  155    HG3  PRO  21           HG1      PRO  21  45.978  -4.012  -1.799
  156    HD2  PRO  21           HD2      PRO  21  47.774  -1.619  -1.947
  157    HD3  PRO  21           HD1      PRO  21  46.264  -1.959  -2.821
  158    H    ASP  22           HN       ASP  22  46.164  -1.736   2.956
  159    HA   ASP  22           HA       ASP  22  48.854  -0.925   3.478
  160    HB2  ASP  22           HB2      ASP  22  47.793   1.154   2.440
  161    HB3  ASP  22           HB1      ASP  22  46.756   1.223   3.863
  162    H    ASP  23           HN       ASP  23  45.500  -0.630   4.660
  163    HA   ASP  23           HA       ASP  23  46.323  -1.192   7.390
  164    HB2  ASP  23           HB2      ASP  23  44.599   0.579   6.680
  165    HB3  ASP  23           HB1      ASP  23  43.499  -0.768   6.413
  166    H    ASP  24           HN       ASP  24  45.298  -2.923   4.656
  167    HA   ASP  24           HA       ASP  24  44.672  -5.266   6.322
  168    HB2  ASP  24           HB2      ASP  24  42.688  -4.139   5.044
  169    HB3  ASP  24           HB1      ASP  24  43.396  -4.897   3.623
  170    H    TYR  25           HN       TYR  25  46.523  -6.388   6.158
  171    HA   TYR  25           HA       TYR  25  47.887  -6.659   3.595
  172    HB2  TYR  25           HB2      TYR  25  48.640  -7.505   6.396
  173    HB3  TYR  25           HB1      TYR  25  49.605  -7.896   4.979
  174    HD1  TYR  25           HD1      TYR  25  50.808  -6.131   3.770
  175    HD2  TYR  25           HD2      TYR  25  48.597  -5.272   7.302
  176    HE1  TYR  25           HE1      TYR  25  51.968  -3.972   3.964
  177    HE2  TYR  25           HE2      TYR  25  49.750  -3.110   7.505
  178    HH   TYR  25           HH       TYR  25  51.604  -1.772   4.998
  Start of MODEL    6
    1    H1   PHE   1           HT1      PHE   1  44.554 -10.730 -20.666
    2    H2   PHE   1           HT2      PHE   1  43.289  -9.974 -19.835
    3    H3   PHE   1           HT3      PHE   1  44.730 -10.342 -19.028
    4    HA   PHE   1           HA       PHE   1  45.949  -8.789 -20.375
    5    HB2  PHE   1           HB2      PHE   1  44.205  -9.145 -22.297
    6    HB3  PHE   1           HB1      PHE   1  43.357  -7.808 -21.534
    7    HD1  PHE   1           HD1      PHE   1  44.270  -5.568 -21.578
    8    HD2  PHE   1           HD2      PHE   1  46.327  -8.810 -23.411
    9    HE1  PHE   1           HE1      PHE   1  45.704  -3.971 -22.782
   10    HE2  PHE   1           HE2      PHE   1  47.764  -7.220 -24.619
   11    HZ   PHE   1           HZ       PHE   1  47.455  -4.797 -24.305
   12    H    GLY   2           HN       GLY   2  42.673  -8.369 -19.071
   13    HA2  GLY   2           HA2      GLY   2  43.723  -6.357 -17.210
   14    HA3  GLY   2           HA1      GLY   2  42.345  -5.922 -18.210
   15    H    VAL   3           HN       VAL   3  42.572  -6.115 -15.297
   16    HA   VAL   3           HA       VAL   3  40.330  -7.955 -14.847
   17    HB   VAL   3           HB       VAL   3  41.293  -8.408 -12.518
   18   HG11  VAL   3          HG11      VAL   3  42.659  -9.571 -14.940
   19   HG12  VAL   3          HG12      VAL   3  41.137 -10.111 -14.230
   20   HG13  VAL   3          HG13      VAL   3  42.643 -10.289 -13.329
   21   HG21  VAL   3          HG21      VAL   3  43.082  -6.733 -12.514
   22   HG22  VAL   3          HG22      VAL   3  43.864  -7.555 -13.864
   23   HG23  VAL   3          HG23      VAL   3  43.735  -8.357 -12.299
   24    H    ARG   4           HN       ARG   4  38.703  -7.182 -13.647
   25    HA   ARG   4           HA       ARG   4  39.091  -4.643 -12.207
   26    HB2  ARG   4           HB2      ARG   4  36.881  -5.368 -14.126
   27    HB3  ARG   4           HB1      ARG   4  36.714  -4.074 -12.948
   28    HG2  ARG   4           HG2      ARG   4  38.629  -2.921 -13.940
   29    HG3  ARG   4           HG1      ARG   4  38.789  -4.218 -15.126
   30    HD2  ARG   4           HD2      ARG   4  36.534  -3.722 -15.956
   31    HD3  ARG   4           HD1      ARG   4  36.395  -2.415 -14.780
   32    HE   ARG   4           HE       ARG   4  38.671  -1.863 -16.214
   33   HH11  ARG   4          HH11      ARG   4  35.356  -1.224 -18.390
   34   HH12  ARG   4          HH12      ARG   4  35.279  -2.289 -17.025
   35   HH21  ARG   4          HH21      ARG   4  38.745  -0.476 -18.005
   36   HH22  ARG   4          HH22      ARG   4  37.315  -0.201 -18.944
   37    H    VAL   5           HN       VAL   5  37.765  -4.300 -10.402
   38    HA   VAL   5           HA       VAL   5  36.221  -6.618  -9.470
   39    HB   VAL   5           HB       VAL   5  37.038  -6.074  -7.108
   40   HG11  VAL   5          HG11      VAL   5  38.960  -7.248  -9.110
   41   HG12  VAL   5          HG12      VAL   5  37.653  -8.098  -8.283
   42   HG13  VAL   5          HG13      VAL   5  39.028  -7.485  -7.363
   43   HG21  VAL   5          HG21      VAL   5  39.252  -4.703  -8.649
   44   HG22  VAL   5          HG22      VAL   5  39.306  -5.114  -6.935
   45   HG23  VAL   5          HG23      VAL   5  38.131  -3.936  -7.522
   46    H    GLY   6           HN       GLY   6  36.800  -3.153  -9.203
   47    HA2  GLY   6           HA2      GLY   6  34.967  -1.603  -9.255
   48    HA3  GLY   6           HA1      GLY   6  33.980  -2.801  -8.431
   49    H    THR   7           HN       THR   7  33.848  -2.769  -6.260
   50    HA   THR   7           HA       THR   7  35.302  -0.640  -4.862
   51    HB   THR   7           HB       THR   7  33.628  -1.124  -3.004
   52    HG1  THR   7           HG1      THR   7  33.059  -3.225  -4.153
   53   HG21  THR   7          HG21      THR   7  31.823   0.132  -4.095
   54   HG22  THR   7          HG22      THR   7  32.555  -0.186  -5.668
   55   HG23  THR   7          HG23      THR   7  33.404   0.809  -4.486
   56    H    CYS   8           HN       CYS   8  36.292  -0.995  -2.839
   57    HA   CYS   8           HA       CYS   8  37.344  -3.710  -2.519
   58    HB2  CYS   8           HB2      CYS   8  39.088  -2.612  -1.111
   59    HB3  CYS   8           HB1      CYS   8  39.044  -2.016  -2.771
   60    HA   PRO   9           HA       PRO   9  35.042  -4.462   1.228
   61    HB2  PRO   9           HB2      PRO   9  36.810  -6.005   2.647
   62    HB3  PRO   9           HB1      PRO   9  35.863  -6.611   1.272
   63    HG2  PRO   9           HG2      PRO   9  38.697  -5.694   1.351
   64    HG3  PRO   9           HG1      PRO   9  37.988  -7.100   0.524
   65    HD2  PRO   9           HD2      PRO   9  38.591  -4.840  -0.800
   66    HD3  PRO   9           HD1      PRO   9  37.183  -5.832  -1.232
   67    H    SER  10           HN       SER  10  35.071  -4.184   3.592
   68    HA   SER  10           HA       SER  10  36.034  -1.665   4.380
   69    HB2  SER  10           HB2      SER  10  34.042  -2.854   5.338
   70    HB3  SER  10           HB1      SER  10  35.153  -3.902   6.217
   71    HG   SER  10           HG       SER  10  34.396  -1.320   6.731
   72    H    GLY  11           HN       GLY  11  37.701  -0.984   5.644
   73    HA2  GLY  11           HA2      GLY  11  39.553  -1.252   7.113
   74    HA3  GLY  11           HA1      GLY  11  39.638  -2.951   6.652
   75    H    TYR  12           HN       TYR  12  39.219  -0.724   4.086
   76    HA   TYR  12           HA       TYR  12  42.034  -1.051   3.291
   77    HB2  TYR  12           HB2      TYR  12  39.484  -1.277   1.863
   78    HB3  TYR  12           HB1      TYR  12  40.669  -0.276   1.020
   79    HD1  TYR  12           HD1      TYR  12  42.674  -1.234   0.107
   80    HD2  TYR  12           HD2      TYR  12  39.916  -3.658   2.253
   81    HE1  TYR  12           HE1      TYR  12  43.795  -3.248  -0.741
   82    HE2  TYR  12           HE2      TYR  12  41.028  -5.682   1.411
   83    HH   TYR  12           HH       TYR  12  42.441  -6.355  -0.479
   84    H    VAL  13           HN       VAL  13  42.877   0.743   1.848
   85    HA   VAL  13           HA       VAL  13  42.126   3.328   3.029
   86    HB   VAL  13           HB       VAL  13  44.630   2.646   1.452
   87   HG11  VAL  13          HG11      VAL  13  43.968   5.092   3.099
   88   HG12  VAL  13          HG12      VAL  13  44.082   5.025   1.340
   89   HG13  VAL  13          HG13      VAL  13  45.519   4.760   2.327
   90   HG21  VAL  13          HG21      VAL  13  44.184   2.843   4.426
   91   HG22  VAL  13          HG22      VAL  13  45.773   2.805   3.664
   92   HG23  VAL  13          HG23      VAL  13  44.687   1.422   3.509
   93    H    ARG  14           HN       ARG  14  41.206   4.898   1.850
   94    HA   ARG  14           HA       ARG  14  41.065   4.621  -1.086
   95    HB2  ARG  14           HB2      ARG  14  38.817   5.551   0.686
   96    HB3  ARG  14           HB1      ARG  14  38.744   5.293  -1.056
   97    HG2  ARG  14           HG2      ARG  14  38.985   2.893  -0.746
   98    HG3  ARG  14           HG1      ARG  14  39.136   3.117   1.002
   99    HD2  ARG  14           HD2      ARG  14  36.725   4.036  -0.546
  100    HD3  ARG  14           HD1      ARG  14  36.855   2.410   0.120
  101    HE   ARG  14           HE       ARG  14  37.362   3.944   2.266
  102   HH11  ARG  14          HH11      ARG  14  34.750   4.063  -0.079
  103   HH12  ARG  14          HH12      ARG  14  33.610   4.710   1.053
  104   HH21  ARG  14          HH21      ARG  14  34.234   5.122   3.207
  105   HH22  ARG  14          HH22      ARG  14  35.852   4.793   3.731
  106    H    ARG  15           HN       ARG  15  42.172   6.358  -1.857
  107    HA   ARG  15           HA       ARG  15  41.345   8.998  -0.923
  108    HB2  ARG  15           HB2      ARG  15  44.212   8.048  -0.847
  109    HB3  ARG  15           HB1      ARG  15  43.753   9.746  -0.771
  110    HG2  ARG  15           HG2      ARG  15  42.372   7.974   1.147
  111    HG3  ARG  15           HG1      ARG  15  44.114   8.179   1.407
  112    HD2  ARG  15           HD2      ARG  15  42.247  10.509   1.012
  113    HD3  ARG  15           HD1      ARG  15  42.575   9.817   2.601
  114    HE   ARG  15           HE       ARG  15  45.013  10.405   1.336
  115   HH11  ARG  15          HH11      ARG  15  42.298  12.100   2.781
  116   HH12  ARG  15          HH12      ARG  15  43.246  13.482   3.220
  117   HH21  ARG  15          HH21      ARG  15  46.235  12.224   1.922
  118   HH22  ARG  15          HH22      ARG  15  45.473  13.551   2.732
  119    H    GLY  16           HN       GLY  16  40.711  10.039  -2.683
  120    HA2  GLY  16           HA2      GLY  16  40.874  11.089  -4.742
  121    HA3  GLY  16           HA1      GLY  16  42.444  10.322  -4.977
  122    H    THR  17           HN       THR  17  39.161   9.032  -4.443
  123    HA   THR  17           HA       THR  17  37.948   7.393  -5.443
  124    HB   THR  17           HB       THR  17  37.784   7.449  -7.942
  125    HG1  THR  17           HG1      THR  17  39.135   9.764  -8.290
  126   HG21  THR  17          HG21      THR  17  36.355   8.875  -6.571
  127   HG22  THR  17          HG22      THR  17  36.797   9.689  -8.071
  128   HG23  THR  17          HG23      THR  17  37.596  10.127  -6.561
  129    H    PHE  18           HN       PHE  18  40.616   6.693  -4.614
  130    HA   PHE  18           HA       PHE  18  41.026   4.290  -6.244
  131    HB2  PHE  18           HB2      PHE  18  42.750   5.747  -7.015
  132    HB3  PHE  18           HB1      PHE  18  43.111   6.305  -5.391
  133    HD1  PHE  18           HD1      PHE  18  44.783   5.303  -4.130
  134    HD2  PHE  18           HD2      PHE  18  43.345   3.342  -7.624
  135    HE1  PHE  18           HE1      PHE  18  46.613   3.673  -3.961
  136    HE2  PHE  18           HE2      PHE  18  45.173   1.702  -7.457
  137    HZ   PHE  18           HZ       PHE  18  46.805   1.873  -5.622
  138    H    CYS  19           HN       CYS  19  41.547   2.467  -5.119
  139    HA   CYS  19           HA       CYS  19  41.864   2.670  -2.196
  140    HB2  CYS  19           HB2      CYS  19  39.536   2.004  -2.823
  141    HB3  CYS  19           HB1      CYS  19  40.202   0.589  -3.640
  142    H    PHE  20           HN       PHE  20  43.615   1.632  -1.457
  143    HA   PHE  20           HA       PHE  20  44.699  -0.600  -3.024
  144    HB2  PHE  20           HB2      PHE  20  46.969   0.232  -2.797
  145    HB3  PHE  20           HB1      PHE  20  45.965   1.482  -3.529
  146    HD1  PHE  20           HD1      PHE  20  45.217   3.425  -2.112
  147    HD2  PHE  20           HD2      PHE  20  48.116   0.605  -0.788
  148    HE1  PHE  20           HE1      PHE  20  45.963   5.008  -0.381
  149    HE2  PHE  20           HE2      PHE  20  48.866   2.183   0.944
  150    HZ   PHE  20           HZ       PHE  20  47.785   4.381   1.152
  151    HA   PRO  21           HA       PRO  21  45.209  -2.587   0.970
  152    HB2  PRO  21           HB2      PRO  21  47.642  -3.990   0.261
  153    HB3  PRO  21           HB1      PRO  21  45.989  -4.630   0.352
  154    HG2  PRO  21           HG2      PRO  21  47.356  -4.397  -1.975
  155    HG3  PRO  21           HG1      PRO  21  45.587  -4.292  -1.865
  156    HD2  PRO  21           HD2      PRO  21  47.598  -2.074  -2.056
  157    HD3  PRO  21           HD1      PRO  21  46.048  -2.269  -2.903
  158    H    ASP  22           HN       ASP  22  46.003  -2.101   2.871
  159    HA   ASP  22           HA       ASP  22  48.736  -1.542   3.448
  160    HB2  ASP  22           HB2      ASP  22  47.895   0.637   2.379
  161    HB3  ASP  22           HB1      ASP  22  46.878   0.817   3.806
  162    H    ASP  23           HN       ASP  23  45.404  -0.878   4.532
  163    HA   ASP  23           HA       ASP  23  46.077  -1.543   7.283
  164    HB2  ASP  23           HB2      ASP  23  44.590   0.421   6.537
  165    HB3  ASP  23           HB1      ASP  23  43.349  -0.789   6.234
  166    H    ASP  24           HN       ASP  24  44.712  -3.028   4.490
  167    HA   ASP  24           HA       ASP  24  44.000  -5.394   6.083
  168    HB2  ASP  24           HB2      ASP  24  42.005  -3.971   5.173
  169    HB3  ASP  24           HB1      ASP  24  42.427  -4.682   3.619
  170    H    TYR  25           HN       TYR  25  45.560  -6.804   5.571
  171    HA   TYR  25           HA       TYR  25  46.337  -7.100   2.746
  172    HB2  TYR  25           HB2      TYR  25  48.054  -6.441   4.617
  173    HB3  TYR  25           HB1      TYR  25  47.997  -8.154   5.017
  174    HD1  TYR  25           HD1      TYR  25  49.097  -5.669   2.577
  175    HD2  TYR  25           HD2      TYR  25  48.874  -9.824   3.458
  176    HE1  TYR  25           HE1      TYR  25  50.748  -6.126   0.812
  177    HE2  TYR  25           HE2      TYR  25  50.524 -10.293   1.696
  178    HH   TYR  25           HH       TYR  25  52.377  -7.861   0.219
  Start of MODEL    7
    1    H1   PHE   1           HT1      PHE   1  20.385  -8.373 -15.027
    2    H2   PHE   1           HT2      PHE   1  20.177  -8.578 -16.693
    3    H3   PHE   1           HT3      PHE   1  21.253  -7.408 -16.114
    4    HA   PHE   1           HA       PHE   1  21.536 -10.336 -15.770
    5    HB2  PHE   1           HB2      PHE   1  22.932  -8.381 -17.606
    6    HB3  PHE   1           HB1      PHE   1  23.540  -9.998 -17.276
    7    HD1  PHE   1           HD1      PHE   1  20.957  -8.040 -18.959
    8    HD2  PHE   1           HD2      PHE   1  22.422 -11.955 -18.158
    9    HE1  PHE   1           HE1      PHE   1  19.541  -8.934 -20.762
   10    HE2  PHE   1           HE2      PHE   1  21.008 -12.856 -19.959
   11    HZ   PHE   1           HZ       PHE   1  19.565 -11.346 -21.264
   12    H    GLY   2           HN       GLY   2  22.905  -7.104 -15.264
   13    HA2  GLY   2           HA2      GLY   2  23.847  -7.459 -12.717
   14    HA3  GLY   2           HA1      GLY   2  25.150  -8.040 -13.740
   15    H    VAL   3           HN       VAL   3  25.035  -5.739 -11.916
   16    HA   VAL   3           HA       VAL   3  25.962  -3.713 -13.813
   17    HB   VAL   3           HB       VAL   3  24.926  -1.913 -12.317
   18   HG11  VAL   3          HG11      VAL   3  22.797  -1.978 -13.533
   19   HG12  VAL   3          HG12      VAL   3  23.131  -3.643 -14.009
   20   HG13  VAL   3          HG13      VAL   3  24.172  -2.339 -14.576
   21   HG21  VAL   3          HG21      VAL   3  23.149  -4.214 -11.485
   22   HG22  VAL   3          HG22      VAL   3  22.845  -2.509 -11.153
   23   HG23  VAL   3          HG23      VAL   3  24.240  -3.312 -10.432
   24    H    ARG   4           HN       ARG   4  27.761  -2.656 -13.219
   25    HA   ARG   4           HA       ARG   4  28.741  -2.986 -10.462
   26    HB2  ARG   4           HB2      ARG   4  30.250  -3.425 -13.036
   27    HB3  ARG   4           HB1      ARG   4  31.069  -3.129 -11.509
   28    HG2  ARG   4           HG2      ARG   4  30.042  -5.122 -10.556
   29    HG3  ARG   4           HG1      ARG   4  29.183  -5.412 -12.069
   30    HD2  ARG   4           HD2      ARG   4  31.326  -5.647 -13.234
   31    HD3  ARG   4           HD1      ARG   4  32.178  -5.368 -11.716
   32    HE   ARG   4           HE       ARG   4  30.476  -7.494 -11.262
   33   HH11  ARG   4          HH11      ARG   4  33.675  -8.517 -13.463
   34   HH12  ARG   4          HH12      ARG   4  33.193  -6.855 -13.394
   35   HH21  ARG   4          HH21      ARG   4  31.125  -9.661 -11.367
   36   HH22  ARG   4          HH22      ARG   4  32.505 -10.104 -12.317
   37    H    VAL   5           HN       VAL   5  30.072  -1.332  -9.662
   38    HA   VAL   5           HA       VAL   5  30.226   1.110 -11.286
   39    HB   VAL   5           HB       VAL   5  29.791   2.438  -9.143
   40   HG11  VAL   5          HG11      VAL   5  27.362   2.367  -9.469
   41   HG12  VAL   5          HG12      VAL   5  27.539   0.882 -10.403
   42   HG13  VAL   5          HG13      VAL   5  28.239   2.387 -11.000
   43   HG21  VAL   5          HG21      VAL   5  29.922   0.664  -7.493
   44   HG22  VAL   5          HG22      VAL   5  28.593  -0.197  -8.268
   45   HG23  VAL   5          HG23      VAL   5  28.300   1.358  -7.488
   46    H    GLY   6           HN       GLY   6  31.470  -0.677  -8.512
   47    HA2  GLY   6           HA2      GLY   6  33.932  -0.916  -8.450
   48    HA3  GLY   6           HA1      GLY   6  34.014   0.807  -8.786
   49    H    THR   7           HN       THR   7  33.554  -1.633  -6.386
   50    HA   THR   7           HA       THR   7  33.839   0.386  -4.278
   51    HB   THR   7           HB       THR   7  32.237  -0.990  -2.850
   52    HG1  THR   7           HG1      THR   7  30.879  -1.795  -5.123
   53   HG21  THR   7          HG21      THR   7  31.101   0.492  -5.225
   54   HG22  THR   7          HG22      THR   7  31.640   1.217  -3.712
   55   HG23  THR   7          HG23      THR   7  30.242   0.139  -3.725
   56    H    CYS   8           HN       CYS   8  35.263  -0.162  -2.738
   57    HA   CYS   8           HA       CYS   8  36.486  -2.818  -2.900
   58    HB2  CYS   8           HB2      CYS   8  38.357  -1.793  -1.623
   59    HB3  CYS   8           HB1      CYS   8  38.039  -0.978  -3.154
   60    HA   PRO   9           HA       PRO   9  34.746  -4.156   0.981
   61    HB2  PRO   9           HB2      PRO   9  36.737  -5.773   1.940
   62    HB3  PRO   9           HB1      PRO   9  35.646  -6.244   0.618
   63    HG2  PRO   9           HG2      PRO   9  38.431  -5.187   0.479
   64    HG3  PRO   9           HG1      PRO   9  37.676  -6.511  -0.440
   65    HD2  PRO   9           HD2      PRO   9  38.016  -4.061  -1.501
   66    HD3  PRO   9           HD1      PRO   9  36.612  -5.072  -1.898
   67    H    SER  10           HN       SER  10  35.075  -4.183   3.333
   68    HA   SER  10           HA       SER  10  36.210  -1.749   4.278
   69    HB2  SER  10           HB2      SER  10  35.506  -2.610   6.532
   70    HB3  SER  10           HB1      SER  10  34.215  -2.582   5.330
   71    HG   SER  10           HG       SER  10  35.101  -4.650   6.734
   72    H    GLY  11           HN       GLY  11  37.927  -1.380   5.660
   73    HA2  GLY  11           HA2      GLY  11  39.807  -1.986   6.975
   74    HA3  GLY  11           HA1      GLY  11  39.751  -3.599   6.265
   75    H    TYR  12           HN       TYR  12  39.542  -0.684   4.352
   76    HA   TYR  12           HA       TYR  12  42.311  -1.010   3.419
   77    HB2  TYR  12           HB2      TYR  12  39.804  -1.291   1.885
   78    HB3  TYR  12           HB1      TYR  12  41.015  -0.250   1.134
   79    HD1  TYR  12           HD1      TYR  12  43.070  -1.148   0.290
   80    HD2  TYR  12           HD2      TYR  12  40.258  -3.676   2.233
   81    HE1  TYR  12           HE1      TYR  12  44.265  -3.118  -0.561
   82    HE2  TYR  12           HE2      TYR  12  41.443  -5.658   1.387
   83    HH   TYR  12           HH       TYR  12  42.958  -6.252  -0.454
   84    H    VAL  13           HN       VAL  13  43.035   0.921   2.089
   85    HA   VAL  13           HA       VAL  13  42.021   3.371   3.360
   86    HB   VAL  13           HB       VAL  13  44.620   2.999   1.833
   87   HG11  VAL  13          HG11      VAL  13  45.281   5.135   2.868
   88   HG12  VAL  13          HG12      VAL  13  43.669   5.284   3.567
   89   HG13  VAL  13          HG13      VAL  13  43.877   5.319   1.816
   90   HG21  VAL  13          HG21      VAL  13  45.691   3.128   4.075
   91   HG22  VAL  13          HG22      VAL  13  44.721   1.675   3.833
   92   HG23  VAL  13          HG23      VAL  13  44.089   3.005   4.800
   93    H    ARG  14           HN       ARG  14  40.473   4.329   2.206
   94    HA   ARG  14           HA       ARG  14  40.524   4.218  -0.726
   95    HB2  ARG  14           HB2      ARG  14  38.330   5.217   1.091
   96    HB3  ARG  14           HB1      ARG  14  38.200   4.902  -0.639
   97    HG2  ARG  14           HG2      ARG  14  38.461   2.522  -0.269
   98    HG3  ARG  14           HG1      ARG  14  38.700   2.794   1.463
   99    HD2  ARG  14           HD2      ARG  14  36.433   3.768   1.584
  100    HD3  ARG  14           HD1      ARG  14  36.204   3.392  -0.123
  101    HE   ARG  14           HE       ARG  14  36.918   1.022   1.106
  102   HH11  ARG  14          HH11      ARG  14  34.256   3.299   1.369
  103   HH12  ARG  14          HH12      ARG  14  33.123   2.092   1.876
  104   HH21  ARG  14          HH21      ARG  14  33.781  -0.080   2.102
  105   HH22  ARG  14          HH22      ARG  14  35.418  -0.540   1.772
  106    H    ARG  15           HN       ARG  15  41.878   5.815  -1.397
  107    HA   ARG  15           HA       ARG  15  41.008   8.556  -0.993
  108    HB2  ARG  15           HB2      ARG  15  43.751   7.597  -0.159
  109    HB3  ARG  15           HB1      ARG  15  43.392   9.286  -0.483
  110    HG2  ARG  15           HG2      ARG  15  41.921   9.439   1.346
  111    HG3  ARG  15           HG1      ARG  15  41.826   7.681   1.523
  112    HD2  ARG  15           HD2      ARG  15  44.190   7.641   2.193
  113    HD3  ARG  15           HD1      ARG  15  44.272   9.394   2.018
  114    HE   ARG  15           HE       ARG  15  42.192   8.789   3.785
  115   HH11  ARG  15          HH11      ARG  15  45.698   8.586   3.708
  116   HH12  ARG  15          HH12      ARG  15  45.859   8.743   5.425
  117   HH21  ARG  15          HH21      ARG  15  42.428   8.992   6.030
  118   HH22  ARG  15          HH22      ARG  15  44.009   8.973   6.737
  119    H    GLY  16           HN       GLY  16  41.256   9.750  -2.795
  120    HA2  GLY  16           HA2      GLY  16  42.074  10.451  -4.849
  121    HA3  GLY  16           HA1      GLY  16  43.308   9.198  -4.753
  122    H    THR  17           HN       THR  17  39.761   9.085  -4.741
  123    HA   THR  17           HA       THR  17  38.236   7.819  -5.799
  124    HB   THR  17           HB       THR  17  38.642   9.556  -7.493
  125    HG1  THR  17           HG1      THR  17  37.008   8.022  -7.859
  126   HG21  THR  17          HG21      THR  17  40.945   9.046  -8.164
  127   HG22  THR  17          HG22      THR  17  39.865   9.044  -9.560
  128   HG23  THR  17          HG23      THR  17  40.409   7.518  -8.863
  129    H    PHE  18           HN       PHE  18  40.743   6.309  -4.944
  130    HA   PHE  18           HA       PHE  18  39.897   3.770  -6.002
  131    HB2  PHE  18           HB2      PHE  18  42.315   3.099  -6.610
  132    HB3  PHE  18           HB1      PHE  18  41.401   4.035  -7.776
  133    HD1  PHE  18           HD1      PHE  18  43.699   4.722  -4.880
  134    HD2  PHE  18           HD2      PHE  18  42.588   5.637  -8.892
  135    HE1  PHE  18           HE1      PHE  18  45.553   6.331  -5.026
  136    HE2  PHE  18           HE2      PHE  18  44.436   7.249  -9.036
  137    HZ   PHE  18           HZ       PHE  18  45.923   7.598  -7.104
  138    H    CYS  19           HN       CYS  19  40.572   1.996  -4.793
  139    HA   CYS  19           HA       CYS  19  41.588   2.682  -2.124
  140    HB2  CYS  19           HB2      CYS  19  40.309   0.079  -2.972
  141    HB3  CYS  19           HB1      CYS  19  40.530   0.691  -1.332
  142    H    PHE  20           HN       PHE  20  43.450   1.837  -1.319
  143    HA   PHE  20           HA       PHE  20  44.844  -0.176  -2.933
  144    HB2  PHE  20           HB2      PHE  20  46.969   0.977  -2.649
  145    HB3  PHE  20           HB1      PHE  20  45.799   2.073  -3.379
  146    HD1  PHE  20           HD1      PHE  20  44.774   3.877  -1.973
  147    HD2  PHE  20           HD2      PHE  20  47.990   1.457  -0.589
  148    HE1  PHE  20           HE1      PHE  20  45.245   5.520  -0.203
  149    HE2  PHE  20           HE2      PHE  20  48.467   3.095   1.181
  150    HZ   PHE  20           HZ       PHE  20  47.091   5.122   1.379
  151    HA   PRO  21           HA       PRO  21  45.572  -2.160   1.021
  152    HB2  PRO  21           HB2      PRO  21  48.067  -3.392   0.275
  153    HB3  PRO  21           HB1      PRO  21  46.450  -4.125   0.290
  154    HG2  PRO  21           HG2      PRO  21  47.893  -3.673  -1.983
  155    HG3  PRO  21           HG1      PRO  21  46.121  -3.765  -1.927
  156    HD2  PRO  21           HD2      PRO  21  47.883  -1.340  -1.991
  157    HD3  PRO  21           HD1      PRO  21  46.367  -1.663  -2.863
  158    H    ASP  22           HN       ASP  22  46.359  -1.663   2.913
  159    HA   ASP  22           HA       ASP  22  49.056  -0.891   3.439
  160    HB2  ASP  22           HB2      ASP  22  48.005   1.238   2.491
  161    HB3  ASP  22           HB1      ASP  22  46.982   1.258   3.924
  162    H    ASP  23           HN       ASP  23  45.718  -0.575   4.661
  163    HA   ASP  23           HA       ASP  23  46.557  -1.309   7.351
  164    HB2  ASP  23           HB2      ASP  23  44.892   0.566   6.750
  165    HB3  ASP  23           HB1      ASP  23  43.733  -0.727   6.471
  166    H    ASP  24           HN       ASP  24  45.438  -2.869   4.555
  167    HA   ASP  24           HA       ASP  24  44.210  -5.080   6.045
  168    HB2  ASP  24           HB2      ASP  24  43.216  -3.935   3.892
  169    HB3  ASP  24           HB1      ASP  24  44.345  -4.991   3.052
  170    H    TYR  25           HN       TYR  25  46.791  -4.414   3.695
  171    HA   TYR  25           HA       TYR  25  48.076  -6.942   4.489
  172    HB2  TYR  25           HB2      TYR  25  47.870  -5.752   1.719
  173    HB3  TYR  25           HB1      TYR  25  49.023  -7.015   2.136
  174    HD1  TYR  25           HD1      TYR  25  45.527  -6.238   1.461
  175    HD2  TYR  25           HD2      TYR  25  48.237  -9.281   2.683
  176    HE1  TYR  25           HE1      TYR  25  43.809  -7.939   1.016
  177    HE2  TYR  25           HE2      TYR  25  46.526 -10.991   2.240
  178    HH   TYR  25           HH       TYR  25  43.684 -10.342   0.509
  Start of MODEL    8
    1    H1   PHE   1           HT1      PHE   1  19.368  -0.871  -8.004
    2    H2   PHE   1           HT2      PHE   1  19.806  -2.478  -7.706
    3    H3   PHE   1           HT3      PHE   1  18.173  -2.043  -7.758
    4    HA   PHE   1           HA       PHE   1  18.825  -3.183  -9.773
    5    HB2  PHE   1           HB2      PHE   1  18.174  -0.242 -10.050
    6    HB3  PHE   1           HB1      PHE   1  18.122  -1.376 -11.395
    7    HD1  PHE   1           HD1      PHE   1  16.382  -3.052 -11.544
    8    HD2  PHE   1           HD2      PHE   1  16.514  -0.308  -8.293
    9    HE1  PHE   1           HE1      PHE   1  14.071  -3.649 -10.951
   10    HE2  PHE   1           HE2      PHE   1  14.203  -0.900  -7.695
   11    HZ   PHE   1           HZ       PHE   1  12.978  -2.573  -9.024
   12    H    GLY   2           HN       GLY   2  20.687  -0.218  -9.189
   13    HA2  GLY   2           HA2      GLY   2  23.082  -1.284 -10.242
   14    HA3  GLY   2           HA1      GLY   2  22.321  -0.265 -11.455
   15    H    VAL   3           HN       VAL   3  23.675  -0.336  -8.209
   16    HA   VAL   3           HA       VAL   3  24.381   2.495  -8.491
   17    HB   VAL   3           HB       VAL   3  23.960   2.778  -5.984
   18   HG11  VAL   3          HG11      VAL   3  21.609   2.450  -7.843
   19   HG12  VAL   3          HG12      VAL   3  22.624   3.883  -7.676
   20   HG13  VAL   3          HG13      VAL   3  21.604   3.364  -6.334
   21   HG21  VAL   3          HG21      VAL   3  23.605   0.435  -5.377
   22   HG22  VAL   3          HG22      VAL   3  22.187   0.366  -6.425
   23   HG23  VAL   3          HG23      VAL   3  22.178   1.402  -4.998
   24    H    ARG   4           HN       ARG   4  26.382   3.028  -7.841
   25    HA   ARG   4           HA       ARG   4  28.043   0.884  -6.694
   26    HB2  ARG   4           HB2      ARG   4  28.725   3.204  -8.498
   27    HB3  ARG   4           HB1      ARG   4  29.959   2.291  -7.641
   28    HG2  ARG   4           HG2      ARG   4  29.259   0.252  -8.781
   29    HG3  ARG   4           HG1      ARG   4  28.000   1.154  -9.627
   30    HD2  ARG   4           HD2      ARG   4  29.723   2.556 -10.669
   31    HD3  ARG   4           HD1      ARG   4  30.971   1.626  -9.841
   32    HE   ARG   4           HE       ARG   4  29.458  -0.203 -11.249
   33   HH11  ARG   4          HH11      ARG   4  31.889   1.938 -13.625
   34   HH12  ARG   4          HH12      ARG   4  31.458   2.567 -12.069
   35   HH21  ARG   4          HH21      ARG   4  30.035  -1.004 -13.288
   36   HH22  ARG   4          HH22      ARG   4  31.084  -0.081 -14.312
   37    H    VAL   5           HN       VAL   5  28.909   1.133  -4.748
   38    HA   VAL   5           HA       VAL   5  29.294   3.811  -3.643
   39    HB   VAL   5           HB       VAL   5  28.400   2.980  -1.395
   40   HG11  VAL   5          HG11      VAL   5  26.102   3.632  -1.951
   41   HG12  VAL   5          HG12      VAL   5  26.481   3.467  -3.666
   42   HG13  VAL   5          HG13      VAL   5  27.296   4.695  -2.697
   43   HG21  VAL   5          HG21      VAL   5  26.575   1.309  -1.512
   44   HG22  VAL   5          HG22      VAL   5  28.156   0.613  -1.862
   45   HG23  VAL   5          HG23      VAL   5  27.034   0.956  -3.179
   46    H    GLY   6           HN       GLY   6  29.889   0.349  -3.332
   47    HA2  GLY   6           HA2      GLY   6  32.513   0.974  -2.142
   48    HA3  GLY   6           HA1      GLY   6  31.501  -0.283  -1.448
   49    H    THR   7           HN       THR   7  34.123   0.160  -3.273
   50    HA   THR   7           HA       THR   7  33.601  -2.036  -5.145
   51    HB   THR   7           HB       THR   7  35.883  -1.397  -6.080
   52    HG1  THR   7           HG1      THR   7  36.931   0.144  -5.093
   53   HG21  THR   7          HG21      THR   7  33.683   0.673  -6.169
   54   HG22  THR   7          HG22      THR   7  33.795  -0.762  -7.187
   55   HG23  THR   7          HG23      THR   7  34.998   0.519  -7.334
   56    H    CYS   8           HN       CYS   8  35.869  -1.042  -2.619
   57    HA   CYS   8           HA       CYS   8  36.948  -3.774  -2.529
   58    HB2  CYS   8           HB2      CYS   8  38.817  -2.762  -1.218
   59    HB3  CYS   8           HB1      CYS   8  38.666  -2.109  -2.850
   60    HA   PRO   9           HA       PRO   9  34.897  -4.613   1.342
   61    HB2  PRO   9           HB2      PRO   9  36.743  -6.206   2.602
   62    HB3  PRO   9           HB1      PRO   9  35.688  -6.769   1.287
   63    HG2  PRO   9           HG2      PRO   9  38.533  -5.890   1.179
   64    HG3  PRO   9           HG1      PRO   9  37.744  -7.266   0.372
   65    HD2  PRO   9           HD2      PRO   9  38.285  -4.985  -0.940
   66    HD3  PRO   9           HD1      PRO   9  36.830  -5.940  -1.287
   67    H    SER  10           HN       SER  10  35.083  -4.402   3.705
   68    HA   SER  10           HA       SER  10  36.104  -1.912   4.499
   69    HB2  SER  10           HB2      SER  10  35.226  -4.247   6.211
   70    HB3  SER  10           HB1      SER  10  35.459  -2.596   6.784
   71    HG   SER  10           HG       SER  10  33.384  -2.540   6.298
   72    H    GLY  11           HN       GLY  11  37.888  -1.248   5.556
   73    HA2  GLY  11           HA2      GLY  11  39.817  -1.560   6.935
   74    HA3  GLY  11           HA1      GLY  11  39.872  -3.245   6.419
   75    H    TYR  12           HN       TYR  12  39.485  -0.414   4.350
   76    HA   TYR  12           HA       TYR  12  42.181  -0.831   3.247
   77    HB2  TYR  12           HB2      TYR  12  39.565  -1.000   1.871
   78    HB3  TYR  12           HB1      TYR  12  40.818  -0.088   1.025
   79    HD1  TYR  12           HD1      TYR  12  39.815  -3.400   2.260
   80    HD2  TYR  12           HD2      TYR  12  42.780  -1.184   0.163
   81    HE1  TYR  12           HE1      TYR  12  40.805  -5.502   1.448
   82    HE2  TYR  12           HE2      TYR  12  43.778  -3.274  -0.651
   83    HH   TYR  12           HH       TYR  12  42.212  -6.272  -0.423
   84    H    VAL  13           HN       VAL  13  42.969   1.035   1.952
   85    HA   VAL  13           HA       VAL  13  42.060   3.546   3.181
   86    HB   VAL  13           HB       VAL  13  44.664   2.986   1.723
   87   HG11  VAL  13          HG11      VAL  13  45.418   5.141   2.649
   88   HG12  VAL  13          HG12      VAL  13  43.798   5.423   3.287
   89   HG13  VAL  13          HG13      VAL  13  44.057   5.339   1.545
   90   HG21  VAL  13          HG21      VAL  13  44.102   3.270   4.674
   91   HG22  VAL  13          HG22      VAL  13  45.702   3.126   3.948
   92   HG23  VAL  13          HG23      VAL  13  44.557   1.788   3.834
   93    H    ARG  14           HN       ARG  14  40.526   4.495   2.006
   94    HA   ARG  14           HA       ARG  14  40.656   4.453  -0.928
   95    HB2  ARG  14           HB2      ARG  14  38.410   5.351   0.879
   96    HB3  ARG  14           HB1      ARG  14  38.323   5.163  -0.871
   97    HG2  ARG  14           HG2      ARG  14  38.622   2.752  -0.647
   98    HG3  ARG  14           HG1      ARG  14  38.742   2.924   1.110
   99    HD2  ARG  14           HD2      ARG  14  36.466   3.824   1.170
  100    HD3  ARG  14           HD1      ARG  14  36.349   3.655  -0.580
  101    HE   ARG  14           HE       ARG  14  36.995   1.153   0.409
  102   HH11  ARG  14          HH11      ARG  14  34.309   3.391   0.742
  103   HH12  ARG  14          HH12      ARG  14  33.149   2.135   1.021
  104   HH21  ARG  14          HH21      ARG  14  33.800  -0.048   1.041
  105   HH22  ARG  14          HH22      ARG  14  35.459  -0.472   0.776
  106    H    ARG  15           HN       ARG  15  42.017   6.090  -1.516
  107    HA   ARG  15           HA       ARG  15  41.113   8.805  -0.987
  108    HB2  ARG  15           HB2      ARG  15  43.887   7.844  -0.257
  109    HB3  ARG  15           HB1      ARG  15  43.471   9.541  -0.438
  110    HG2  ARG  15           HG2      ARG  15  41.759   7.941   1.383
  111    HG3  ARG  15           HG1      ARG  15  43.418   8.272   1.919
  112    HD2  ARG  15           HD2      ARG  15  43.039  10.674   1.571
  113    HD3  ARG  15           HD1      ARG  15  41.390  10.335   1.051
  114    HE   ARG  15           HE       ARG  15  41.647   9.204   3.554
  115   HH11  ARG  15          HH11      ARG  15  41.889  12.449   2.234
  116   HH12  ARG  15          HH12      ARG  15  41.377  13.209   3.704
  117   HH21  ARG  15          HH21      ARG  15  40.976  10.219   5.466
  118   HH22  ARG  15          HH22      ARG  15  40.861  11.947   5.531
  119    H    GLY  16           HN       GLY  16  41.373  10.126  -2.698
  120    HA2  GLY  16           HA2      GLY  16  42.161  10.942  -4.723
  121    HA3  GLY  16           HA1      GLY  16  43.374   9.665  -4.732
  122    H    THR  17           HN       THR  17  39.950   9.074  -4.353
  123    HA   THR  17           HA       THR  17  38.380   7.954  -5.510
  124    HB   THR  17           HB       THR  17  38.214   8.154  -7.956
  125    HG1  THR  17           HG1      THR  17  40.144   9.880  -8.496
  126   HG21  THR  17          HG21      THR  17  38.943  10.741  -6.579
  127   HG22  THR  17          HG22      THR  17  37.357   9.970  -6.580
  128   HG23  THR  17          HG23      THR  17  38.031  10.602  -8.083
  129    H    PHE  18           HN       PHE  18  41.048   6.645  -4.848
  130    HA   PHE  18           HA       PHE  18  40.491   4.173  -6.311
  131    HB2  PHE  18           HB2      PHE  18  42.893   3.691  -6.624
  132    HB3  PHE  18           HB1      PHE  18  42.385   5.116  -7.513
  133    HD1  PHE  18           HD1      PHE  18  44.271   3.939  -4.559
  134    HD2  PHE  18           HD2      PHE  18  43.387   7.224  -7.114
  135    HE1  PHE  18           HE1      PHE  18  46.132   5.204  -3.568
  136    HE2  PHE  18           HE2      PHE  18  45.245   8.497  -6.126
  137    HZ   PHE  18           HZ       PHE  18  46.621   7.488  -4.350
  138    H    CYS  19           HN       CYS  19  41.005   2.257  -5.225
  139    HA   CYS  19           HA       CYS  19  41.506   2.578  -2.337
  140    HB2  CYS  19           HB2      CYS  19  39.229   1.758  -2.927
  141    HB3  CYS  19           HB1      CYS  19  39.966   0.368  -3.728
  142    H    PHE  20           HN       PHE  20  43.373   1.780  -1.627
  143    HA   PHE  20           HA       PHE  20  44.605  -0.439  -3.101
  144    HB2  PHE  20           HB2      PHE  20  46.813   0.553  -2.797
  145    HB3  PHE  20           HB1      PHE  20  45.750   1.698  -3.615
  146    HD1  PHE  20           HD1      PHE  20  47.843   1.079  -0.760
  147    HD2  PHE  20           HD2      PHE  20  44.790   3.617  -2.294
  148    HE1  PHE  20           HE1      PHE  20  48.384   2.757   0.952
  149    HE2  PHE  20           HE2      PHE  20  45.327   5.302  -0.582
  150    HZ   PHE  20           HZ       PHE  20  47.124   4.865   1.046
  151    HA   PRO  21           HA       PRO  21  45.115  -2.302   0.947
  152    HB2  PRO  21           HB2      PRO  21  47.488  -3.792   0.299
  153    HB3  PRO  21           HB1      PRO  21  45.808  -4.366   0.295
  154    HG2  PRO  21           HG2      PRO  21  47.355  -4.122  -1.951
  155    HG3  PRO  21           HG1      PRO  21  45.580  -4.084  -1.945
  156    HD2  PRO  21           HD2      PRO  21  47.519  -1.803  -2.064
  157    HD3  PRO  21           HD1      PRO  21  45.993  -2.042  -2.946
  158    H    ASP  22           HN       ASP  22  45.919  -1.756   2.820
  159    HA   ASP  22           HA       ASP  22  48.686  -1.178   3.305
  160    HB2  ASP  22           HB2      ASP  22  47.787   0.975   2.299
  161    HB3  ASP  22           HB1      ASP  22  46.734   1.104   3.705
  162    H    ASP  23           HN       ASP  23  45.395  -0.598   4.566
  163    HA   ASP  23           HA       ASP  23  46.228  -1.314   7.262
  164    HB2  ASP  23           HB2      ASP  23  44.678   0.651   6.622
  165    HB3  ASP  23           HB1      ASP  23  43.431  -0.573   6.412
  166    H    ASP  24           HN       ASP  24  45.122  -2.944   4.553
  167    HA   ASP  24           HA       ASP  24  43.628  -4.965   6.059
  168    HB2  ASP  24           HB2      ASP  24  42.891  -3.932   3.776
  169    HB3  ASP  24           HB1      ASP  24  44.063  -5.049   3.086
  170    H    TYR  25           HN       TYR  25  46.488  -4.617   3.986
  171    HA   TYR  25           HA       TYR  25  47.466  -7.201   5.006
  172    HB2  TYR  25           HB2      TYR  25  47.723  -6.064   2.218
  173    HB3  TYR  25           HB1      TYR  25  48.713  -7.396   2.802
  174    HD1  TYR  25           HD1      TYR  25  47.716  -9.591   3.233
  175    HD2  TYR  25           HD2      TYR  25  45.386  -6.382   1.694
  176    HE1  TYR  25           HE1      TYR  25  45.956 -11.184   2.594
  177    HE2  TYR  25           HE2      TYR  25  43.619  -7.966   1.050
  178    HH   TYR  25           HH       TYR  25  43.386 -10.357   0.538
  Start of MODEL    9
    1    H1   PHE   1           HT1      PHE   1  38.154 -14.585 -15.282
    2    H2   PHE   1           HT2      PHE   1  39.235 -13.825 -14.227
    3    H3   PHE   1           HT3      PHE   1  39.572 -13.888 -15.884
    4    HA   PHE   1           HA       PHE   1  38.810 -11.698 -15.242
    5    HB2  PHE   1           HB2      PHE   1  36.941 -13.319 -16.982
    6    HB3  PHE   1           HB1      PHE   1  36.865 -11.565 -16.855
    7    HD1  PHE   1           HD1      PHE   1  38.580 -10.169 -17.837
    8    HD2  PHE   1           HD2      PHE   1  38.759 -14.410 -18.142
    9    HE1  PHE   1           HE1      PHE   1  40.278  -9.966 -19.606
   10    HE2  PHE   1           HE2      PHE   1  40.459 -14.215 -19.910
   11    HZ   PHE   1           HZ       PHE   1  41.220 -11.991 -20.644
   12    H    GLY   2           HN       GLY   2  37.246 -10.351 -14.349
   13    HA2  GLY   2           HA2      GLY   2  34.722 -10.827 -13.482
   14    HA3  GLY   2           HA1      GLY   2  35.709 -11.539 -12.213
   15    H    VAL   3           HN       VAL   3  35.090  -8.544 -13.987
   16    HA   VAL   3           HA       VAL   3  35.736  -7.038 -11.549
   17    HB   VAL   3           HB       VAL   3  36.618  -5.171 -13.059
   18   HG11  VAL   3          HG11      VAL   3  38.214  -7.711 -12.773
   19   HG12  VAL   3          HG12      VAL   3  38.041  -6.438 -11.564
   20   HG13  VAL   3          HG13      VAL   3  38.884  -6.108 -13.079
   21   HG21  VAL   3          HG21      VAL   3  37.665  -5.867 -15.174
   22   HG22  VAL   3          HG22      VAL   3  35.912  -6.040 -15.229
   23   HG23  VAL   3          HG23      VAL   3  36.931  -7.462 -15.009
   24    H    ARG   4           HN       ARG   4  34.338  -5.481 -10.999
   25    HA   ARG   4           HA       ARG   4  32.260  -4.708 -12.934
   26    HB2  ARG   4           HB2      ARG   4  31.906  -5.550 -10.063
   27    HB3  ARG   4           HB1      ARG   4  30.690  -4.613 -10.918
   28    HG2  ARG   4           HG2      ARG   4  30.447  -6.393 -12.559
   29    HG3  ARG   4           HG1      ARG   4  31.701  -7.328 -11.742
   30    HD2  ARG   4           HD2      ARG   4  30.315  -7.420  -9.727
   31    HD3  ARG   4           HD1      ARG   4  29.065  -6.482 -10.543
   32    HE   ARG   4           HE       ARG   4  29.583  -8.720 -12.112
   33   HH11  ARG   4          HH11      ARG   4  27.265  -9.472  -8.918
   34   HH12  ARG   4          HH12      ARG   4  28.269  -8.059  -8.922
   35   HH21  ARG   4          HH21      ARG   4  28.263 -10.562 -12.083
   36   HH22  ARG   4          HH22      ARG   4  27.262 -10.886 -10.707
   37    H    VAL   5           HN       VAL   5  34.015  -3.867  -9.987
   38    HA   VAL   5           HA       VAL   5  34.656  -1.910  -9.031
   39    HB   VAL   5           HB       VAL   5  33.987  -0.457 -11.606
   40   HG11  VAL   5          HG11      VAL   5  36.109   0.081  -9.524
   41   HG12  VAL   5          HG12      VAL   5  34.581   0.948  -9.676
   42   HG13  VAL   5          HG13      VAL   5  35.783   1.050 -10.962
   43   HG21  VAL   5          HG21      VAL   5  36.543  -1.940 -10.977
   44   HG22  VAL   5          HG22      VAL   5  36.257  -0.918 -12.385
   45   HG23  VAL   5          HG23      VAL   5  35.343  -2.411 -12.182
   46    H    GLY   6           HN       GLY   6  33.476  -1.087  -7.460
   47    HA2  GLY   6           HA2      GLY   6  31.377   0.785  -7.898
   48    HA3  GLY   6           HA1      GLY   6  30.726  -0.775  -7.416
   49    H    THR   7           HN       THR   7  32.294  -1.713  -5.524
   50    HA   THR   7           HA       THR   7  32.703   0.401  -3.527
   51    HB   THR   7           HB       THR   7  31.688  -1.170  -1.798
   52    HG1  THR   7           HG1      THR   7  31.433  -3.063  -2.897
   53   HG21  THR   7          HG21      THR   7  29.852   0.023  -3.880
   54   HG22  THR   7          HG22      THR   7  30.562   0.878  -2.509
   55   HG23  THR   7          HG23      THR   7  29.393  -0.414  -2.234
   56    H    CYS   8           HN       CYS   8  34.366   0.063  -2.124
   57    HA   CYS   8           HA       CYS   8  36.165  -2.137  -2.721
   58    HB2  CYS   8           HB2      CYS   8  36.496   0.342  -1.019
   59    HB3  CYS   8           HB1      CYS   8  37.762  -0.836  -1.342
   60    HA   PRO   9           HA       PRO   9  35.184  -4.520   0.929
   61    HB2  PRO   9           HB2      PRO   9  37.638  -5.578   1.564
   62    HB3  PRO   9           HB1      PRO   9  36.626  -6.171   0.229
   63    HG2  PRO   9           HG2      PRO   9  38.961  -4.323   0.148
   64    HG3  PRO   9           HG1      PRO   9  38.545  -5.665  -0.941
   65    HD2  PRO   9           HD2      PRO   9  38.078  -3.101  -1.609
   66    HD3  PRO   9           HD1      PRO   9  36.990  -4.414  -2.106
   67    H    SER  10           HN       SER  10  35.681  -4.785   3.240
   68    HA   SER  10           HA       SER  10  36.231  -2.251   4.482
   69    HB2  SER  10           HB2      SER  10  35.706  -3.492   6.601
   70    HB3  SER  10           HB1      SER  10  34.433  -3.569   5.383
   71    HG   SER  10           HG       SER  10  35.026  -5.649   4.906
   72    H    GLY  11           HN       GLY  11  37.995  -1.585   5.527
   73    HA2  GLY  11           HA2      GLY  11  39.970  -1.830   6.814
   74    HA3  GLY  11           HA1      GLY  11  40.091  -3.501   6.266
   75    H    TYR  12           HN       TYR  12  39.631  -0.577   4.320
   76    HA   TYR  12           HA       TYR  12  42.323  -0.891   3.188
   77    HB2  TYR  12           HB2      TYR  12  39.718  -1.113   1.785
   78    HB3  TYR  12           HB1      TYR  12  40.962  -0.161   0.972
   79    HD1  TYR  12           HD1      TYR  12  39.965  -3.505   2.055
   80    HD2  TYR  12           HD2      TYR  12  43.021  -1.196   0.214
   81    HE1  TYR  12           HE1      TYR  12  41.018  -5.570   1.227
   82    HE2  TYR  12           HE2      TYR  12  44.088  -3.245  -0.612
   83    HH   TYR  12           HH       TYR  12  42.538  -6.269  -0.574
   84    H    VAL  13           HN       VAL  13  43.024   1.022   1.901
   85    HA   VAL  13           HA       VAL  13  42.042   3.480   3.182
   86    HB   VAL  13           HB       VAL  13  44.639   3.023   1.675
   87   HG11  VAL  13          HG11      VAL  13  43.925   5.356   1.517
   88   HG12  VAL  13          HG12      VAL  13  45.335   5.203   2.565
   89   HG13  VAL  13          HG13      VAL  13  43.734   5.426   3.269
   90   HG21  VAL  13          HG21      VAL  13  44.110   3.281   4.633
   91   HG22  VAL  13          HG22      VAL  13  45.704   3.207   3.886
   92   HG23  VAL  13          HG23      VAL  13  44.616   1.822   3.782
   93    H    ARG  14           HN       ARG  14  40.441   4.365   2.041
   94    HA   ARG  14           HA       ARG  14  40.504   4.340  -0.894
   95    HB2  ARG  14           HB2      ARG  14  38.271   5.224   0.933
   96    HB3  ARG  14           HB1      ARG  14  38.159   4.922  -0.800
   97    HG2  ARG  14           HG2      ARG  14  38.485   2.553  -0.457
   98    HG3  ARG  14           HG1      ARG  14  38.735   2.810   1.276
   99    HD2  ARG  14           HD2      ARG  14  36.431   3.755   1.391
  100    HD3  ARG  14           HD1      ARG  14  36.206   3.291  -0.296
  101    HE   ARG  14           HE       ARG  14  36.949   0.972   0.851
  102   HH11  ARG  14          HH11      ARG  14  34.469   3.300   1.728
  103   HH12  ARG  14          HH12      ARG  14  33.443   2.106   2.451
  104   HH21  ARG  14          HH21      ARG  14  34.079  -0.083   2.494
  105   HH22  ARG  14          HH22      ARG  14  35.591  -0.572   1.806
  106    H    ARG  15           HN       ARG  15  41.802   6.016  -1.517
  107    HA   ARG  15           HA       ARG  15  40.819   8.702  -1.008
  108    HB2  ARG  15           HB2      ARG  15  43.602   7.820  -0.229
  109    HB3  ARG  15           HB1      ARG  15  43.182   9.507  -0.496
  110    HG2  ARG  15           HG2      ARG  15  41.687   9.531   1.334
  111    HG3  ARG  15           HG1      ARG  15  41.706   7.769   1.473
  112    HD2  ARG  15           HD2      ARG  15  43.061   8.588   3.235
  113    HD3  ARG  15           HD1      ARG  15  44.176   7.980   2.013
  114    HE   ARG  15           HE       ARG  15  43.849  10.671   1.482
  115   HH11  ARG  15          HH11      ARG  15  45.068   8.768   4.171
  116   HH12  ARG  15          HH12      ARG  15  46.165  10.002   4.695
  117   HH21  ARG  15          HH21      ARG  15  45.290  12.271   2.187
  118   HH22  ARG  15          HH22      ARG  15  46.290  11.983   3.573
  119    H    GLY  16           HN       GLY  16  41.005   9.986  -2.753
  120    HA2  GLY  16           HA2      GLY  16  41.765  10.807  -4.785
  121    HA3  GLY  16           HA1      GLY  16  43.047   9.601  -4.760
  122    H    THR  17           HN       THR  17  39.778   8.554  -4.314
  123    HA   THR  17           HA       THR  17  38.278   7.375  -5.536
  124    HB   THR  17           HB       THR  17  39.554   8.034  -8.170
  125    HG1  THR  17           HG1      THR  17  38.279  10.082  -7.974
  126   HG21  THR  17          HG21      THR  17  36.687   7.981  -7.207
  127   HG22  THR  17          HG22      THR  17  37.493   6.707  -8.122
  128   HG23  THR  17          HG23      THR  17  37.209   8.281  -8.864
  129    H    PHE  18           HN       PHE  18  41.072   6.356  -4.827
  130    HA   PHE  18           HA       PHE  18  40.834   3.845  -6.309
  131    HB2  PHE  18           HB2      PHE  18  43.308   3.671  -6.537
  132    HB3  PHE  18           HB1      PHE  18  42.614   4.973  -7.489
  133    HD1  PHE  18           HD1      PHE  18  43.197   7.252  -7.071
  134    HD2  PHE  18           HD2      PHE  18  44.650   4.162  -4.532
  135    HE1  PHE  18           HE1      PHE  18  44.811   8.825  -6.084
  136    HE2  PHE  18           HE2      PHE  18  46.263   5.730  -3.538
  137    HZ   PHE  18           HZ       PHE  18  46.345   8.067  -4.314
  138    H    CYS  19           HN       CYS  19  41.034   2.063  -5.103
  139    HA   CYS  19           HA       CYS  19  41.701   2.405  -2.261
  140    HB2  CYS  19           HB2      CYS  19  40.181   0.183  -3.651
  141    HB3  CYS  19           HB1      CYS  19  40.481   0.284  -1.914
  142    H    PHE  20           HN       PHE  20  43.560   1.626  -1.512
  143    HA   PHE  20           HA       PHE  20  44.848  -0.577  -2.959
  144    HB2  PHE  20           HB2      PHE  20  47.033   0.464  -2.722
  145    HB3  PHE  20           HB1      PHE  20  45.940   1.584  -3.533
  146    HD1  PHE  20           HD1      PHE  20  44.992   3.516  -2.232
  147    HD2  PHE  20           HD2      PHE  20  48.079   1.020  -0.699
  148    HE1  PHE  20           HE1      PHE  20  45.540   5.229  -0.553
  149    HE2  PHE  20           HE2      PHE  20  48.634   2.729   0.978
  150    HZ   PHE  20           HZ       PHE  20  47.361   4.829   1.057
  151    HA   PRO  21           HA       PRO  21  45.394  -2.354   1.120
  152    HB2  PRO  21           HB2      PRO  21  47.882  -3.695   0.510
  153    HB3  PRO  21           HB1      PRO  21  46.248  -4.388   0.571
  154    HG2  PRO  21           HG2      PRO  21  47.706  -4.155  -1.716
  155    HG3  PRO  21           HG1      PRO  21  45.933  -4.181  -1.669
  156    HD2  PRO  21           HD2      PRO  21  47.780  -1.834  -1.914
  157    HD3  PRO  21           HD1      PRO  21  46.252  -2.167  -2.759
  158    H    ASP  22           HN       ASP  22  46.157  -1.756   3.007
  159    HA   ASP  22           HA       ASP  22  48.861  -1.006   3.535
  160    HB2  ASP  22           HB2      ASP  22  47.907   1.064   2.400
  161    HB3  ASP  22           HB1      ASP  22  46.824   1.222   3.780
  162    H    ASP  23           HN       ASP  23  45.501  -0.561   4.660
  163    HA   ASP  23           HA       ASP  23  46.289  -1.041   7.418
  164    HB2  ASP  23           HB2      ASP  23  44.658   0.782   6.637
  165    HB3  ASP  23           HB1      ASP  23  43.492  -0.517   6.410
  166    H    ASP  24           HN       ASP  24  45.425  -2.927   4.799
  167    HA   ASP  24           HA       ASP  24  43.978  -4.909   6.394
  168    HB2  ASP  24           HB2      ASP  24  43.661  -6.080   4.169
  169    HB3  ASP  24           HB1      ASP  24  42.889  -4.508   4.317
  170    H    TYR  25           HN       TYR  25  45.542  -5.777   7.670
  171    HA   TYR  25           HA       TYR  25  47.437  -7.569   6.333
  172    HB2  TYR  25           HB2      TYR  25  48.103  -5.495   8.401
  173    HB3  TYR  25           HB1      TYR  25  49.048  -6.976   8.301
  174    HD1  TYR  25           HD1      TYR  25  48.202  -3.828   6.631
  175    HD2  TYR  25           HD2      TYR  25  50.490  -7.406   6.395
  176    HE1  TYR  25           HE1      TYR  25  49.554  -2.839   4.831
  177    HE2  TYR  25           HE2      TYR  25  51.847  -6.427   4.594
  178    HH   TYR  25           HH       TYR  25  51.780  -3.123   3.830
  Start of MODEL   10
    1    H1   PHE   1           HT1      PHE   1  28.759  -8.994 -17.205
    2    H2   PHE   1           HT2      PHE   1  27.690  -9.625 -16.055
    3    H3   PHE   1           HT3      PHE   1  29.353  -9.888 -15.896
    4    HA   PHE   1           HA       PHE   1  27.999  -7.259 -15.740
    5    HB2  PHE   1           HB2      PHE   1  29.161  -9.059 -13.605
    6    HB3  PHE   1           HB1      PHE   1  28.769  -7.365 -13.335
    7    HD1  PHE   1           HD1      PHE   1  26.470  -6.622 -13.212
    8    HD2  PHE   1           HD2      PHE   1  27.422 -10.718 -13.871
    9    HE1  PHE   1           HE1      PHE   1  24.153  -7.243 -12.667
   10    HE2  PHE   1           HE2      PHE   1  25.106 -11.347 -13.328
   11    HZ   PHE   1           HZ       PHE   1  23.469  -9.608 -12.726
   12    H    GLY   2           HN       GLY   2  29.298  -5.490 -15.606
   13    HA2  GLY   2           HA2      GLY   2  32.172  -5.753 -15.306
   14    HA3  GLY   2           HA1      GLY   2  31.641  -5.251 -16.904
   15    H    VAL   3           HN       VAL   3  32.024  -4.343 -13.584
   16    HA   VAL   3           HA       VAL   3  31.647  -1.538 -14.323
   17    HB   VAL   3           HB       VAL   3  30.549  -1.135 -12.049
   18   HG11  VAL   3          HG11      VAL   3  29.017  -2.616 -14.179
   19   HG12  VAL   3          HG12      VAL   3  29.363  -0.887 -14.146
   20   HG13  VAL   3          HG13      VAL   3  28.308  -1.598 -12.925
   21   HG21  VAL   3          HG21      VAL   3  30.934  -3.320 -11.025
   22   HG22  VAL   3          HG22      VAL   3  29.956  -4.093 -12.272
   23   HG23  VAL   3          HG23      VAL   3  29.208  -2.979 -11.127
   24    H    ARG   4           HN       ARG   4  33.370  -0.409 -13.809
   25    HA   ARG   4           HA       ARG   4  35.205  -1.420 -11.755
   26    HB2  ARG   4           HB2      ARG   4  35.574   0.501 -14.052
   27    HB3  ARG   4           HB1      ARG   4  36.779   0.312 -12.789
   28    HG2  ARG   4           HG2      ARG   4  35.815  -2.104 -14.250
   29    HG3  ARG   4           HG1      ARG   4  36.973  -1.024 -15.028
   30    HD2  ARG   4           HD2      ARG   4  38.495  -1.290 -13.128
   31    HD3  ARG   4           HD1      ARG   4  37.335  -2.365 -12.347
   32    HE   ARG   4           HE       ARG   4  37.905  -3.392 -14.882
   33   HH11  ARG   4          HH11      ARG   4  40.649  -4.233 -12.072
   34   HH12  ARG   4          HH12      ARG   4  39.569  -2.901 -11.827
   35   HH21  ARG   4          HH21      ARG   4  39.330  -5.128 -15.179
   36   HH22  ARG   4          HH22      ARG   4  40.514  -5.491 -13.970
   37    H    VAL   5           HN       VAL   5  35.778  -0.264  -9.985
   38    HA   VAL   5           HA       VAL   5  35.681   1.226  -8.275
   39    HB   VAL   5           HB       VAL   5  34.875   3.390 -10.238
   40   HG11  VAL   5          HG11      VAL   5  36.493   3.530  -7.691
   41   HG12  VAL   5          HG12      VAL   5  34.799   3.992  -7.855
   42   HG13  VAL   5          HG13      VAL   5  36.043   4.890  -8.722
   43   HG21  VAL   5          HG21      VAL   5  36.819   2.224 -11.164
   44   HG22  VAL   5          HG22      VAL   5  37.681   2.447  -9.640
   45   HG23  VAL   5          HG23      VAL   5  37.244   3.847 -10.619
   46    H    GLY   6           HN       GLY   6  34.139   0.977  -6.827
   47    HA2  GLY   6           HA2      GLY   6  31.619   2.308  -7.015
   48    HA3  GLY   6           HA1      GLY   6  31.445   0.576  -7.259
   49    H    THR   7           HN       THR   7  32.518  -0.802  -5.548
   50    HA   THR   7           HA       THR   7  32.441   0.455  -2.893
   51    HB   THR   7           HB       THR   7  31.286  -1.651  -2.046
   52    HG1  THR   7           HG1      THR   7  30.050  -2.034  -4.474
   53   HG21  THR   7          HG21      THR   7  29.728   0.173  -3.884
   54   HG22  THR   7          HG22      THR   7  30.124   0.494  -2.196
   55   HG23  THR   7          HG23      THR   7  29.041  -0.836  -2.609
   56    H    CYS   8           HN       CYS   8  34.261   0.068  -1.855
   57    HA   CYS   8           HA       CYS   8  35.953  -2.175  -2.626
   58    HB2  CYS   8           HB2      CYS   8  36.437   0.289  -0.942
   59    HB3  CYS   8           HB1      CYS   8  37.635  -0.976  -1.189
   60    HA   PRO   9           HA       PRO   9  35.036  -4.643   0.981
   61    HB2  PRO   9           HB2      PRO   9  37.504  -5.706   1.564
   62    HB3  PRO   9           HB1      PRO   9  36.468  -6.284   0.242
   63    HG2  PRO   9           HG2      PRO   9  38.792  -4.422   0.141
   64    HG3  PRO   9           HG1      PRO   9  38.368  -5.759  -0.954
   65    HD2  PRO   9           HD2      PRO   9  37.871  -3.208  -1.612
   66    HD3  PRO   9           HD1      PRO   9  36.758  -4.515  -2.062
   67    H    SER  10           HN       SER  10  35.560  -4.958   3.279
   68    HA   SER  10           HA       SER  10  36.114  -2.450   4.570
   69    HB2  SER  10           HB2      SER  10  34.341  -4.059   5.324
   70    HB3  SER  10           HB1      SER  10  35.624  -5.143   5.861
   71    HG   SER  10           HG       SER  10  36.315  -3.500   7.285
   72    H    GLY  11           HN       GLY  11  37.936  -1.767   5.466
   73    HA2  GLY  11           HA2      GLY  11  39.923  -2.037   6.757
   74    HA3  GLY  11           HA1      GLY  11  40.042  -3.695   6.170
   75    H    TYR  12           HN       TYR  12  39.537  -0.718   4.309
   76    HA   TYR  12           HA       TYR  12  42.220  -0.973   3.151
   77    HB2  TYR  12           HB2      TYR  12  39.656  -1.364   1.754
   78    HB3  TYR  12           HB1      TYR  12  40.755  -0.237   0.954
   79    HD1  TYR  12           HD1      TYR  12  42.937  -0.990   0.152
   80    HD2  TYR  12           HD2      TYR  12  40.169  -3.716   1.880
   81    HE1  TYR  12           HE1      TYR  12  44.225  -2.865  -0.767
   82    HE2  TYR  12           HE2      TYR  12  41.446  -5.606   0.958
   83    HH   TYR  12           HH       TYR  12  43.028  -6.041  -0.875
   84    H    VAL  13           HN       VAL  13  42.926   0.959   1.957
   85    HA   VAL  13           HA       VAL  13  41.830   3.381   3.212
   86    HB   VAL  13           HB       VAL  13  44.506   2.992   1.830
   87   HG11  VAL  13          HG11      VAL  13  43.752   5.314   1.663
   88   HG12  VAL  13          HG12      VAL  13  45.114   5.174   2.776
   89   HG13  VAL  13          HG13      VAL  13  43.478   5.358   3.406
   90   HG21  VAL  13          HG21      VAL  13  43.774   3.126   4.749
   91   HG22  VAL  13          HG22      VAL  13  45.422   3.246   4.138
   92   HG23  VAL  13          HG23      VAL  13  44.493   1.767   3.884
   93    H    ARG  14           HN       ARG  14  40.371   4.420   2.025
   94    HA   ARG  14           HA       ARG  14  40.482   4.315  -0.906
   95    HB2  ARG  14           HB2      ARG  14  38.286   5.382   0.869
   96    HB3  ARG  14           HB1      ARG  14  38.180   5.075  -0.863
   97    HG2  ARG  14           HG2      ARG  14  38.373   2.680  -0.481
   98    HG3  ARG  14           HG1      ARG  14  38.545   2.958   1.257
   99    HD2  ARG  14           HD2      ARG  14  36.303   4.014   1.259
  100    HD3  ARG  14           HD1      ARG  14  36.139   3.599  -0.446
  101    HE   ARG  14           HE       ARG  14  36.696   1.224   0.759
  102   HH11  ARG  14          HH11      ARG  14  34.216   3.657   1.274
  103   HH12  ARG  14          HH12      ARG  14  33.052   2.512   1.851
  104   HH21  ARG  14          HH21      ARG  14  33.584   0.301   1.990
  105   HH22  ARG  14          HH22      ARG  14  35.157  -0.254   1.520
  106    H    ARG  15           HN       ARG  15  41.897   5.888  -1.548
  107    HA   ARG  15           HA       ARG  15  41.090   8.646  -1.102
  108    HB2  ARG  15           HB2      ARG  15  43.808   7.597  -0.298
  109    HB3  ARG  15           HB1      ARG  15  43.494   9.303  -0.589
  110    HG2  ARG  15           HG2      ARG  15  42.033   9.460   1.245
  111    HG3  ARG  15           HG1      ARG  15  41.881   7.702   1.385
  112    HD2  ARG  15           HD2      ARG  15  44.245   7.573   2.048
  113    HD3  ARG  15           HD1      ARG  15  44.378   9.326   1.918
  114    HE   ARG  15           HE       ARG  15  42.286   8.759   3.672
  115   HH11  ARG  15          HH11      ARG  15  45.775   8.370   3.585
  116   HH12  ARG  15          HH12      ARG  15  45.942   8.458   5.307
  117   HH21  ARG  15          HH21      ARG  15  42.528   8.871   5.922
  118   HH22  ARG  15          HH22      ARG  15  44.104   8.743   6.628
  119    H    GLY  16           HN       GLY  16  41.466   9.942  -2.821
  120    HA2  GLY  16           HA2      GLY  16  42.304  10.670  -4.857
  121    HA3  GLY  16           HA1      GLY  16  43.426   9.311  -4.848
  122    H    THR  17           HN       THR  17  40.051   8.698  -4.371
  123    HA   THR  17           HA       THR  17  38.399   7.718  -5.574
  124    HB   THR  17           HB       THR  17  39.734   8.191  -8.220
  125    HG1  THR  17           HG1      THR  17  39.911  10.249  -7.767
  126   HG21  THR  17          HG21      THR  17  36.887   8.512  -7.247
  127   HG22  THR  17          HG22      THR  17  37.520   7.134  -8.148
  128   HG23  THR  17          HG23      THR  17  37.438   8.723  -8.909
  129    H    PHE  18           HN       PHE  18  41.048   6.353  -4.879
  130    HA   PHE  18           HA       PHE  18  40.419   3.845  -6.222
  131    HB2  PHE  18           HB2      PHE  18  42.806   3.343  -6.700
  132    HB3  PHE  18           HB1      PHE  18  42.187   4.686  -7.647
  133    HD1  PHE  18           HD1      PHE  18  43.123   6.867  -7.448
  134    HD2  PHE  18           HD2      PHE  18  44.394   3.747  -4.850
  135    HE1  PHE  18           HE1      PHE  18  45.025   8.249  -6.726
  136    HE2  PHE  18           HE2      PHE  18  46.298   5.124  -4.120
  137    HZ   PHE  18           HZ       PHE  18  46.614   7.379  -5.058
  138    H    CYS  19           HN       CYS  19  40.886   2.009  -5.050
  139    HA   CYS  19           HA       CYS  19  41.588   2.468  -2.234
  140    HB2  CYS  19           HB2      CYS  19  40.184   0.122  -3.542
  141    HB3  CYS  19           HB1      CYS  19  40.512   0.279  -1.815
  142    H    PHE  20           HN       PHE  20  43.482   1.789  -1.468
  143    HA   PHE  20           HA       PHE  20  44.921  -0.301  -2.944
  144    HB2  PHE  20           HB2      PHE  20  47.028   0.879  -2.632
  145    HB3  PHE  20           HB1      PHE  20  45.874   1.944  -3.434
  146    HD1  PHE  20           HD1      PHE  20  48.022   1.472  -0.599
  147    HD2  PHE  20           HD2      PHE  20  44.737   3.744  -2.070
  148    HE1  PHE  20           HE1      PHE  20  48.417   3.160   1.143
  149    HE2  PHE  20           HE2      PHE  20  45.129   5.439  -0.328
  150    HZ   PHE  20           HZ       PHE  20  46.967   5.139   1.284
  151    HA   PRO  21           HA       PRO  21  45.530  -2.155   1.098
  152    HB2  PRO  21           HB2      PRO  21  48.098  -3.326   0.442
  153    HB3  PRO  21           HB1      PRO  21  46.515  -4.124   0.527
  154    HG2  PRO  21           HG2      PRO  21  47.889  -3.793  -1.785
  155    HG3  PRO  21           HG1      PRO  21  46.118  -3.879  -1.699
  156    HD2  PRO  21           HD2      PRO  21  47.878  -1.461  -1.926
  157    HD3  PRO  21           HD1      PRO  21  46.363  -1.844  -2.773
  158    H    ASP  22           HN       ASP  22  46.274  -1.573   2.996
  159    HA   ASP  22           HA       ASP  22  48.927  -0.678   3.544
  160    HB2  ASP  22           HB2      ASP  22  47.834   1.367   2.473
  161    HB3  ASP  22           HB1      ASP  22  46.774   1.425   3.877
  162    H    ASP  23           HN       ASP  23  45.547  -0.457   4.661
  163    HA   ASP  23           HA       ASP  23  46.255  -0.840   7.425
  164    HB2  ASP  23           HB2      ASP  23  44.316   0.566   6.486
  165    HB3  ASP  23           HB1      ASP  23  43.474  -0.962   6.259
  166    H    ASP  24           HN       ASP  24  45.262  -2.840   4.742
  167    HA   ASP  24           HA       ASP  24  45.490  -5.213   6.441
  168    HB2  ASP  24           HB2      ASP  24  43.137  -4.582   4.654
  169    HB3  ASP  24           HB1      ASP  24  43.522  -6.226   5.156
  170    H    TYR  25           HN       TYR  25  47.238  -6.154   5.590
  171    HA   TYR  25           HA       TYR  25  47.489  -6.330   2.666
  172    HB2  TYR  25           HB2      TYR  25  49.317  -5.245   4.188
  173    HB3  TYR  25           HB1      TYR  25  49.741  -6.909   4.569
  174    HD1  TYR  25           HD1      TYR  25  50.769  -8.343   2.904
  175    HD2  TYR  25           HD2      TYR  25  49.685  -4.341   1.954
  176    HE1  TYR  25           HE1      TYR  25  52.139  -8.462   0.864
  177    HE2  TYR  25           HE2      TYR  25  51.050  -4.448  -0.089
  178    HH   TYR  25           HH       TYR  25  52.274  -7.356  -1.331
  Start of MODEL   11
    1    H1   PHE   1           HT1      PHE   1  20.145  -5.220 -17.894
    2    H2   PHE   1           HT2      PHE   1  19.853  -6.858 -18.198
    3    H3   PHE   1           HT3      PHE   1  21.328  -6.164 -18.651
    4    HA   PHE   1           HA       PHE   1  20.358  -6.462 -15.868
    5    HB2  PHE   1           HB2      PHE   1  22.405  -8.030 -17.452
    6    HB3  PHE   1           HB1      PHE   1  22.257  -8.113 -15.702
    7    HD1  PHE   1           HD1      PHE   1  20.730  -9.016 -18.896
    8    HD2  PHE   1           HD2      PHE   1  20.393  -9.243 -14.660
    9    HE1  PHE   1           HE1      PHE   1  19.025 -10.773 -19.130
   10    HE2  PHE   1           HE2      PHE   1  18.687 -11.002 -14.886
   11    HZ   PHE   1           HZ       PHE   1  18.002 -11.769 -17.124
   12    H    GLY   2           HN       GLY   2  21.749  -5.720 -14.272
   13    HA2  GLY   2           HA2      GLY   2  24.069  -4.135 -15.171
   14    HA3  GLY   2           HA1      GLY   2  22.876  -3.437 -14.088
   15    H    VAL   3           HN       VAL   3  24.691  -3.075 -12.655
   16    HA   VAL   3           HA       VAL   3  25.146  -5.388 -10.924
   17    HB   VAL   3           HB       VAL   3  27.555  -4.602 -10.575
   18   HG11  VAL   3          HG11      VAL   3  26.774  -5.868 -13.196
   19   HG12  VAL   3          HG12      VAL   3  27.005  -6.694 -11.654
   20   HG13  VAL   3          HG13      VAL   3  28.376  -5.937 -12.465
   21   HG21  VAL   3          HG21      VAL   3  28.652  -3.517 -12.488
   22   HG22  VAL   3          HG22      VAL   3  27.444  -2.461 -11.754
   23   HG23  VAL   3          HG23      VAL   3  27.083  -3.298 -13.263
   24    H    ARG   4           HN       ARG   4  25.719  -4.880  -8.752
   25    HA   ARG   4           HA       ARG   4  25.165  -2.098  -7.951
   26    HB2  ARG   4           HB2      ARG   4  23.324  -3.969  -7.599
   27    HB3  ARG   4           HB1      ARG   4  24.305  -4.360  -6.195
   28    HG2  ARG   4           HG2      ARG   4  24.052  -2.060  -5.384
   29    HG3  ARG   4           HG1      ARG   4  23.047  -1.685  -6.787
   30    HD2  ARG   4           HD2      ARG   4  21.426  -3.369  -6.077
   31    HD3  ARG   4           HD1      ARG   4  22.434  -3.765  -4.687
   32    HE   ARG   4           HE       ARG   4  21.820  -1.006  -4.687
   33   HH11  ARG   4          HH11      ARG   4  19.157  -3.448  -2.930
   34   HH12  ARG   4          HH12      ARG   4  20.305  -4.109  -4.044
   35   HH21  ARG   4          HH21      ARG   4  20.307  -0.163  -3.224
   36   HH22  ARG   4          HH22      ARG   4  19.160  -1.215  -2.467
   37    H    VAL   5           HN       VAL   5  27.355  -4.608  -7.896
   38    HA   VAL   5           HA       VAL   5  28.634  -3.597  -5.442
   39    HB   VAL   5           HB       VAL   5  29.862  -5.833  -5.370
   40   HG11  VAL   5          HG11      VAL   5  28.037  -6.931  -4.165
   41   HG12  VAL   5          HG12      VAL   5  26.892  -5.788  -4.866
   42   HG13  VAL   5          HG13      VAL   5  28.150  -5.216  -3.770
   43   HG21  VAL   5          HG21      VAL   5  28.886  -7.758  -6.405
   44   HG22  VAL   5          HG22      VAL   5  29.187  -6.571  -7.674
   45   HG23  VAL   5          HG23      VAL   5  27.552  -6.808  -7.055
   46    H    GLY   6           HN       GLY   6  30.390  -2.459  -5.761
   47    HA2  GLY   6           HA2      GLY   6  32.452  -3.291  -7.597
   48    HA3  GLY   6           HA1      GLY   6  31.620  -1.831  -8.103
   49    H    THR   7           HN       THR   7  32.633  -3.009  -4.919
   50    HA   THR   7           HA       THR   7  34.484  -0.752  -4.649
   51    HB   THR   7           HB       THR   7  33.637  -0.425  -2.268
   52    HG1  THR   7           HG1      THR   7  32.175  -2.468  -2.778
   53   HG21  THR   7          HG21      THR   7  33.202   1.212  -4.028
   54   HG22  THR   7          HG22      THR   7  31.810   1.068  -2.953
   55   HG23  THR   7          HG23      THR   7  31.781   0.300  -4.540
   56    H    CYS   8           HN       CYS   8  35.896  -0.978  -2.692
   57    HA   CYS   8           HA       CYS   8  36.837  -3.714  -2.496
   58    HB2  CYS   8           HB2      CYS   8  38.730  -2.666  -1.214
   59    HB3  CYS   8           HB1      CYS   8  38.524  -2.050  -2.855
   60    HA   PRO   9           HA       PRO   9  35.013  -4.745   1.439
   61    HB2  PRO   9           HB2      PRO   9  37.014  -6.235   2.596
   62    HB3  PRO   9           HB1      PRO   9  35.933  -6.848   1.325
   63    HG2  PRO   9           HG2      PRO   9  38.705  -5.780   1.087
   64    HG3  PRO   9           HG1      PRO   9  37.973  -7.204   0.311
   65    HD2  PRO   9           HD2      PRO   9  38.285  -4.905  -1.025
   66    HD3  PRO   9           HD1      PRO   9  36.856  -5.931  -1.272
   67    H    SER  10           HN       SER  10  35.275  -4.571   3.793
   68    HA   SER  10           HA       SER  10  36.202  -2.033   4.591
   69    HB2  SER  10           HB2      SER  10  35.432  -4.416   6.288
   70    HB3  SER  10           HB1      SER  10  35.618  -2.764   6.879
   71    HG   SER  10           HG       SER  10  34.001  -2.666   4.797
   72    H    GLY  11           HN       GLY  11  37.914  -1.361   5.831
   73    HA2  GLY  11           HA2      GLY  11  39.888  -1.646   7.122
   74    HA3  GLY  11           HA1      GLY  11  40.008  -3.299   6.525
   75    H    TYR  12           HN       TYR  12  39.272  -1.004   4.126
   76    HA   TYR  12           HA       TYR  12  42.031  -1.103   3.115
   77    HB2  TYR  12           HB2      TYR  12  39.390  -1.357   1.874
   78    HB3  TYR  12           HB1      TYR  12  40.456  -0.239   1.020
   79    HD1  TYR  12           HD1      TYR  12  39.876  -3.728   1.946
   80    HD2  TYR  12           HD2      TYR  12  42.516  -1.023   0.001
   81    HE1  TYR  12           HE1      TYR  12  41.026  -5.625   0.881
   82    HE2  TYR  12           HE2      TYR  12  43.676  -2.904  -1.064
   83    HH   TYR  12           HH       TYR  12  42.417  -6.049  -1.117
   84    H    VAL  13           HN       VAL  13  42.651   0.831   1.711
   85    HA   VAL  13           HA       VAL  13  41.779   3.282   3.093
   86    HB   VAL  13           HB       VAL  13  43.948   4.309   2.264
   87   HG11  VAL  13          HG11      VAL  13  43.597   3.711   4.579
   88   HG12  VAL  13          HG12      VAL  13  45.258   3.359   4.104
   89   HG13  VAL  13          HG13      VAL  13  44.086   2.050   4.248
   90   HG21  VAL  13          HG21      VAL  13  44.470   2.518   0.586
   91   HG22  VAL  13          HG22      VAL  13  44.854   1.448   1.934
   92   HG23  VAL  13          HG23      VAL  13  45.796   2.915   1.677
   93    H    ARG  14           HN       ARG  14  40.389   4.455   1.964
   94    HA   ARG  14           HA       ARG  14  40.515   4.453  -0.974
   95    HB2  ARG  14           HB2      ARG  14  38.314   5.395   0.866
   96    HB3  ARG  14           HB1      ARG  14  38.222   5.322  -0.893
   97    HG2  ARG  14           HG2      ARG  14  38.418   2.877  -0.803
   98    HG3  ARG  14           HG1      ARG  14  38.484   2.954   0.963
   99    HD2  ARG  14           HD2      ARG  14  36.249   2.420   0.424
  100    HD3  ARG  14           HD1      ARG  14  36.242   4.127   0.859
  101    HE   ARG  14           HE       ARG  14  36.569   3.843  -1.933
  102   HH11  ARG  14          HH11      ARG  14  34.091   3.532   0.537
  103   HH12  ARG  14          HH12      ARG  14  32.794   3.878  -0.557
  104   HH21  ARG  14          HH21      ARG  14  33.227   4.307  -2.755
  105   HH22  ARG  14          HH22      ARG  14  34.854   4.292  -3.348
  106    H    ARG  15           HN       ARG  15  41.971   6.025  -1.508
  107    HA   ARG  15           HA       ARG  15  41.218   8.774  -0.928
  108    HB2  ARG  15           HB2      ARG  15  43.916   7.640  -0.160
  109    HB3  ARG  15           HB1      ARG  15  43.603   9.362  -0.316
  110    HG2  ARG  15           HG2      ARG  15  41.771   7.821   1.440
  111    HG3  ARG  15           HG1      ARG  15  43.431   8.067   2.014
  112    HD2  ARG  15           HD2      ARG  15  43.174  10.488   1.703
  113    HD3  ARG  15           HD1      ARG  15  41.523  10.237   1.137
  114    HE   ARG  15           HE       ARG  15  41.721   9.057   3.644
  115   HH11  ARG  15          HH11      ARG  15  41.925  12.298   2.308
  116   HH12  ARG  15          HH12      ARG  15  41.362  13.056   3.761
  117   HH21  ARG  15          HH21      ARG  15  40.989  10.069   5.535
  118   HH22  ARG  15          HH22      ARG  15  40.834  11.793   5.586
  119    H    GLY  16           HN       GLY  16  41.634  10.136  -2.582
  120    HA2  GLY  16           HA2      GLY  16  42.529  10.951  -4.562
  121    HA3  GLY  16           HA1      GLY  16  43.640   9.584  -4.586
  122    H    THR  17           HN       THR  17  40.230   9.034  -4.243
  123    HA   THR  17           HA       THR  17  38.600   8.142  -5.540
  124    HB   THR  17           HB       THR  17  40.043   8.650  -8.120
  125    HG1  THR  17           HG1      THR  17  39.988  10.767  -7.880
  126   HG21  THR  17          HG21      THR  17  37.794   7.677  -8.159
  127   HG22  THR  17          HG22      THR  17  37.792   9.295  -8.861
  128   HG23  THR  17          HG23      THR  17  37.180   9.043  -7.227
  129    H    PHE  18           HN       PHE  18  41.175   6.667  -4.787
  130    HA   PHE  18           HA       PHE  18  40.551   4.248  -6.297
  131    HB2  PHE  18           HB2      PHE  18  42.933   3.687  -6.631
  132    HB3  PHE  18           HB1      PHE  18  42.472   5.143  -7.497
  133    HD1  PHE  18           HD1      PHE  18  43.382   7.300  -6.874
  134    HD2  PHE  18           HD2      PHE  18  44.463   3.771  -4.758
  135    HE1  PHE  18           HE1      PHE  18  45.274   8.496  -5.853
  136    HE2  PHE  18           HE2      PHE  18  46.355   4.963  -3.729
  137    HZ   PHE  18           HZ       PHE  18  46.763   7.328  -4.276
  138    H    CYS  19           HN       CYS  19  40.929   2.316  -5.219
  139    HA   CYS  19           HA       CYS  19  41.515   2.582  -2.341
  140    HB2  CYS  19           HB2      CYS  19  39.179   1.912  -2.881
  141    HB3  CYS  19           HB1      CYS  19  39.805   0.491  -3.719
  142    H    PHE  20           HN       PHE  20  43.397   1.743  -1.742
  143    HA   PHE  20           HA       PHE  20  44.403  -0.622  -3.162
  144    HB2  PHE  20           HB2      PHE  20  46.663   0.242  -3.120
  145    HB3  PHE  20           HB1      PHE  20  45.615   1.449  -3.860
  146    HD1  PHE  20           HD1      PHE  20  47.915   0.714  -1.196
  147    HD2  PHE  20           HD2      PHE  20  44.961   3.475  -2.520
  148    HE1  PHE  20           HE1      PHE  20  48.767   2.383   0.396
  149    HE2  PHE  20           HE2      PHE  20  45.809   5.149  -0.930
  150    HZ   PHE  20           HZ       PHE  20  47.712   4.599   0.535
  151    HA   PRO  21           HA       PRO  21  45.087  -2.341   0.919
  152    HB2  PRO  21           HB2      PRO  21  47.541  -3.722   0.242
  153    HB3  PRO  21           HB1      PRO  21  45.909  -4.397   0.409
  154    HG2  PRO  21           HG2      PRO  21  47.225  -4.268  -1.958
  155    HG3  PRO  21           HG1      PRO  21  45.456  -4.220  -1.814
  156    HD2  PRO  21           HD2      PRO  21  47.379  -1.953  -2.204
  157    HD3  PRO  21           HD1      PRO  21  45.808  -2.251  -2.984
  158    H    ASP  22           HN       ASP  22  45.853  -1.589   2.739
  159    HA   ASP  22           HA       ASP  22  48.611  -0.943   3.195
  160    HB2  ASP  22           HB2      ASP  22  47.708   1.116   2.017
  161    HB3  ASP  22           HB1      ASP  22  46.629   1.343   3.390
  162    H    ASP  23           HN       ASP  23  45.307  -0.298   4.384
  163    HA   ASP  23           HA       ASP  23  46.137  -0.831   7.127
  164    HB2  ASP  23           HB2      ASP  23  44.608   1.117   6.313
  165    HB3  ASP  23           HB1      ASP  23  43.343  -0.107   6.287
  166    H    ASP  24           HN       ASP  24  44.981  -2.595   4.527
  167    HA   ASP  24           HA       ASP  24  43.403  -4.465   6.135
  168    HB2  ASP  24           HB2      ASP  24  42.798  -3.581   3.741
  169    HB3  ASP  24           HB1      ASP  24  43.930  -4.816   3.201
  170    H    TYR  25           HN       TYR  25  46.323  -4.383   4.111
  171    HA   TYR  25           HA       TYR  25  47.161  -6.937   5.322
  172    HB2  TYR  25           HB2      TYR  25  47.655  -5.889   2.532
  173    HB3  TYR  25           HB1      TYR  25  48.553  -7.237   3.221
  174    HD1  TYR  25           HD1      TYR  25  47.460  -9.386   3.616
  175    HD2  TYR  25           HD2      TYR  25  45.341  -6.137   1.869
  176    HE1  TYR  25           HE1      TYR  25  45.695 -10.937   2.889
  177    HE2  TYR  25           HE2      TYR  25  43.569  -7.678   1.139
  178    HH   TYR  25           HH       TYR  25  43.316 -10.863   2.280
  Start of MODEL   12
    1    H1   PHE   1           HT1      PHE   1  20.075   5.994  -4.943
    2    H2   PHE   1           HT2      PHE   1  21.717   6.171  -5.309
    3    H3   PHE   1           HT3      PHE   1  21.007   4.637  -5.339
    4    HA   PHE   1           HA       PHE   1  19.620   5.256  -7.188
    5    HB2  PHE   1           HB2      PHE   1  21.048   7.906  -6.905
    6    HB3  PHE   1           HB1      PHE   1  20.144   7.445  -8.343
    7    HD1  PHE   1           HD1      PHE   1  17.728   7.323  -8.307
    8    HD2  PHE   1           HD2      PHE   1  19.921   8.440  -4.836
    9    HE1  PHE   1           HE1      PHE   1  15.659   8.166  -7.276
   10    HE2  PHE   1           HE2      PHE   1  17.857   9.285  -3.798
   11    HZ   PHE   1           HZ       PHE   1  15.721   9.149  -5.018
   12    H    GLY   2           HN       GLY   2  23.021   6.124  -6.669
   13    HA2  GLY   2           HA2      GLY   2  23.766   4.327  -8.861
   14    HA3  GLY   2           HA1      GLY   2  24.326   5.989  -8.940
   15    H    VAL   3           HN       VAL   3  25.892   3.553  -8.793
   16    HA   VAL   3           HA       VAL   3  27.407   4.158  -6.346
   17    HB   VAL   3           HB       VAL   3  28.096   1.692  -6.311
   18   HG11  VAL   3          HG11      VAL   3  26.695   2.693  -4.608
   19   HG12  VAL   3          HG12      VAL   3  26.146   1.056  -4.968
   20   HG13  VAL   3          HG13      VAL   3  25.264   2.442  -5.607
   21   HG21  VAL   3          HG21      VAL   3  27.205   1.009  -8.486
   22   HG22  VAL   3          HG22      VAL   3  25.570   1.385  -7.944
   23   HG23  VAL   3          HG23      VAL   3  26.469   0.074  -7.182
   24    H    ARG   4           HN       ARG   4  29.410   4.754  -6.731
   25    HA   ARG   4           HA       ARG   4  30.775   3.774  -9.148
   26    HB2  ARG   4           HB2      ARG   4  30.629   6.595  -8.103
   27    HB3  ARG   4           HB1      ARG   4  31.913   6.071  -9.181
   28    HG2  ARG   4           HG2      ARG   4  30.237   5.457 -10.864
   29    HG3  ARG   4           HG1      ARG   4  28.962   6.019  -9.782
   30    HD2  ARG   4           HD2      ARG   4  29.908   8.269  -9.828
   31    HD3  ARG   4           HD1      ARG   4  31.200   7.711 -10.890
   32    HE   ARG   4           HE       ARG   4  28.675   7.132 -12.026
   33   HH11  ARG   4          HH11      ARG   4  30.229  10.753 -12.805
   34   HH12  ARG   4          HH12      ARG   4  30.831   9.845 -11.460
   35   HH21  ARG   4          HH21      ARG   4  27.903   8.338 -13.782
   36   HH22  ARG   4          HH22      ARG   4  28.572   9.899 -14.118
   37    H    VAL   5           HN       VAL   5  31.030   4.895  -5.834
   38    HA   VAL   5           HA       VAL   5  33.769   3.816  -5.719
   39    HB   VAL   5           HB       VAL   5  34.084   5.307  -3.674
   40   HG11  VAL   5          HG11      VAL   5  34.707   7.251  -5.034
   41   HG12  VAL   5          HG12      VAL   5  33.779   6.593  -6.382
   42   HG13  VAL   5          HG13      VAL   5  35.195   5.729  -5.782
   43   HG21  VAL   5          HG21      VAL   5  32.756   7.281  -3.419
   44   HG22  VAL   5          HG22      VAL   5  31.657   5.903  -3.413
   45   HG23  VAL   5          HG23      VAL   5  31.810   6.903  -4.858
   46    H    GLY   6           HN       GLY   6  34.132   2.153  -4.437
   47    HA2  GLY   6           HA2      GLY   6  33.760   1.298  -2.091
   48    HA3  GLY   6           HA1      GLY   6  32.052   1.410  -2.478
   49    H    THR   7           HN       THR   7  34.912   0.128  -4.139
   50    HA   THR   7           HA       THR   7  33.401  -2.283  -4.842
   51    HB   THR   7           HB       THR   7  35.412  -2.753  -6.333
   52    HG1  THR   7           HG1      THR   7  36.920  -1.355  -5.424
   53   HG21  THR   7          HG21      THR   7  34.683  -1.173  -8.065
   54   HG22  THR   7          HG22      THR   7  33.813  -0.241  -6.846
   55   HG23  THR   7          HG23      THR   7  33.308  -1.887  -7.223
   56    H    CYS   8           HN       CYS   8  36.214  -1.233  -3.031
   57    HA   CYS   8           HA       CYS   8  37.071  -3.960  -2.485
   58    HB2  CYS   8           HB2      CYS   8  38.909  -2.861  -1.218
   59    HB3  CYS   8           HB1      CYS   8  38.814  -2.334  -2.900
   60    HA   PRO   9           HA       PRO   9  34.882  -4.381   1.382
   61    HB2  PRO   9           HB2      PRO   9  36.603  -5.964   2.807
   62    HB3  PRO   9           HB1      PRO   9  35.578  -6.573   1.489
   63    HG2  PRO   9           HG2      PRO   9  38.462  -5.824   1.444
   64    HG3  PRO   9           HG1      PRO   9  37.645  -7.219   0.700
   65    HD2  PRO   9           HD2      PRO   9  38.339  -5.044  -0.730
   66    HD3  PRO   9           HD1      PRO   9  36.877  -5.984  -1.091
   67    H    SER  10           HN       SER  10  35.024  -3.990   3.726
   68    HA   SER  10           HA       SER  10  36.199  -1.508   4.346
   69    HB2  SER  10           HB2      SER  10  34.148  -2.483   5.420
   70    HB3  SER  10           HB1      SER  10  35.203  -3.568   6.326
   71    HG   SER  10           HG       SER  10  35.158  -1.948   7.691
   72    H    GLY  11           HN       GLY  11  37.963  -0.907   5.518
   73    HA2  GLY  11           HA2      GLY  11  39.769  -1.395   7.063
   74    HA3  GLY  11           HA1      GLY  11  39.823  -3.026   6.398
   75    H    TYR  12           HN       TYR  12  39.353  -0.837   3.927
   76    HA   TYR  12           HA       TYR  12  42.192  -0.926   3.179
   77    HB2  TYR  12           HB2      TYR  12  39.633  -1.035   1.683
   78    HB3  TYR  12           HB1      TYR  12  40.953  -0.156   0.906
   79    HD1  TYR  12           HD1      TYR  12  39.805  -3.441   2.086
   80    HD2  TYR  12           HD2      TYR  12  42.913  -1.304   0.126
   81    HE1  TYR  12           HE1      TYR  12  40.773  -5.569   1.315
   82    HE2  TYR  12           HE2      TYR  12  43.892  -3.417  -0.648
   83    HH   TYR  12           HH       TYR  12  42.239  -6.378  -0.490
   84    H    VAL  13           HN       VAL  13  42.976   0.969   1.846
   85    HA   VAL  13           HA       VAL  13  42.099   3.455   3.146
   86    HB   VAL  13           HB       VAL  13  44.671   2.914   1.625
   87   HG11  VAL  13          HG11      VAL  13  43.855   5.327   3.252
   88   HG12  VAL  13          HG12      VAL  13  44.058   5.274   1.501
   89   HG13  VAL  13          HG13      VAL  13  45.452   5.052   2.557
   90   HG21  VAL  13          HG21      VAL  13  44.608   1.683   3.714
   91   HG22  VAL  13          HG22      VAL  13  44.165   3.148   4.589
   92   HG23  VAL  13          HG23      VAL  13  45.751   3.020   3.832
   93    H    ARG  14           HN       ARG  14  40.479   4.322   2.009
   94    HA   ARG  14           HA       ARG  14  40.592   4.398  -0.925
   95    HB2  ARG  14           HB2      ARG  14  38.322   5.175   0.907
   96    HB3  ARG  14           HB1      ARG  14  38.238   4.983  -0.842
   97    HG2  ARG  14           HG2      ARG  14  38.606   2.591  -0.632
   98    HG3  ARG  14           HG1      ARG  14  38.772   2.754   1.123
   99    HD2  ARG  14           HD2      ARG  14  36.458   3.644   1.204
  100    HD3  ARG  14           HD1      ARG  14  36.311   3.330  -0.525
  101    HE   ARG  14           HE       ARG  14  37.058   0.931   0.536
  102   HH11  ARG  14          HH11      ARG  14  34.391   3.128   1.160
  103   HH12  ARG  14          HH12      ARG  14  33.313   1.864   1.652
  104   HH21  ARG  14          HH21      ARG  14  34.016  -0.305   1.667
  105   HH22  ARG  14          HH22      ARG  14  35.631  -0.707   1.187
  106    H    ARG  15           HN       ARG  15  41.886   6.105  -1.459
  107    HA   ARG  15           HA       ARG  15  40.875   8.765  -0.862
  108    HB2  ARG  15           HB2      ARG  15  43.658   7.876  -0.088
  109    HB3  ARG  15           HB1      ARG  15  43.219   9.567  -0.281
  110    HG2  ARG  15           HG2      ARG  15  41.745   9.508   1.546
  111    HG3  ARG  15           HG1      ARG  15  41.714   7.739   1.576
  112    HD2  ARG  15           HD2      ARG  15  44.070   7.726   2.264
  113    HD3  ARG  15           HD1      ARG  15  44.097   9.489   2.226
  114    HE   ARG  15           HE       ARG  15  42.029   8.633   3.928
  115   HH11  ARG  15          HH11      ARG  15  45.539   8.739   3.851
  116   HH12  ARG  15          HH12      ARG  15  45.689   8.808   5.575
  117   HH21  ARG  15          HH21      ARG  15  42.248   8.726   6.183
  118   HH22  ARG  15          HH22      ARG  15  43.826   8.801   6.892
  119    H    GLY  16           HN       GLY  16  41.056  10.097  -2.571
  120    HA2  GLY  16           HA2      GLY  16  41.827  10.994  -4.566
  121    HA3  GLY  16           HA1      GLY  16  43.134   9.812  -4.559
  122    H    THR  17           HN       THR  17  39.735   8.998  -4.293
  123    HA   THR  17           HA       THR  17  38.291   7.765  -5.499
  124    HB   THR  17           HB       THR  17  38.188   7.996  -7.956
  125    HG1  THR  17           HG1      THR  17  39.709   9.457  -8.944
  126   HG21  THR  17          HG21      THR  17  37.119   9.680  -6.554
  127   HG22  THR  17          HG22      THR  17  37.764  10.411  -8.024
  128   HG23  THR  17          HG23      THR  17  38.620  10.603  -6.494
  129    H    PHE  18           HN       PHE  18  41.034   6.636  -4.802
  130    HA   PHE  18           HA       PHE  18  40.705   4.181  -6.362
  131    HB2  PHE  18           HB2      PHE  18  43.129   3.877  -6.607
  132    HB3  PHE  18           HB1      PHE  18  42.589   5.339  -7.413
  133    HD1  PHE  18           HD1      PHE  18  44.461   4.004  -4.540
  134    HD2  PHE  18           HD2      PHE  18  43.386   7.487  -6.733
  135    HE1  PHE  18           HE1      PHE  18  46.203   5.279  -3.361
  136    HE2  PHE  18           HE2      PHE  18  45.123   8.769  -5.556
  137    HZ   PHE  18           HZ       PHE  18  46.535   7.665  -3.867
  138    H    CYS  19           HN       CYS  19  41.203   2.268  -5.304
  139    HA   CYS  19           HA       CYS  19  41.622   2.510  -2.395
  140    HB2  CYS  19           HB2      CYS  19  39.368   1.688  -3.044
  141    HB3  CYS  19           HB1      CYS  19  40.127   0.338  -3.890
  142    H    PHE  20           HN       PHE  20  43.457   1.672  -1.638
  143    HA   PHE  20           HA       PHE  20  44.727  -0.509  -3.131
  144    HB2  PHE  20           HB2      PHE  20  46.930   0.478  -2.811
  145    HB3  PHE  20           HB1      PHE  20  45.876   1.637  -3.621
  146    HD1  PHE  20           HD1      PHE  20  47.939   0.968  -0.751
  147    HD2  PHE  20           HD2      PHE  20  44.933   3.555  -2.296
  148    HE1  PHE  20           HE1      PHE  20  48.484   2.628   0.980
  149    HE2  PHE  20           HE2      PHE  20  45.475   5.220  -0.568
  150    HZ   PHE  20           HZ       PHE  20  47.248   4.752   1.075
  151    HA   PRO  21           HA       PRO  21  45.190  -2.397   0.911
  152    HB2  PRO  21           HB2      PRO  21  47.582  -3.868   0.275
  153    HB3  PRO  21           HB1      PRO  21  45.906  -4.454   0.263
  154    HG2  PRO  21           HG2      PRO  21  47.453  -4.201  -1.976
  155    HG3  PRO  21           HG1      PRO  21  45.679  -4.151  -1.974
  156    HD2  PRO  21           HD2      PRO  21  47.631  -1.880  -2.066
  157    HD3  PRO  21           HD1      PRO  21  46.117  -2.108  -2.968
  158    H    ASP  22           HN       ASP  22  45.981  -1.895   2.804
  159    HA   ASP  22           HA       ASP  22  48.729  -1.308   3.343
  160    HB2  ASP  22           HB2      ASP  22  47.851   0.856   2.328
  161    HB3  ASP  22           HB1      ASP  22  46.785   0.982   3.725
  162    H    ASP  23           HN       ASP  23  45.412  -0.730   4.524
  163    HA   ASP  23           HA       ASP  23  46.184  -1.502   7.228
  164    HB2  ASP  23           HB2      ASP  23  44.736   0.546   6.626
  165    HB3  ASP  23           HB1      ASP  23  43.440  -0.611   6.350
  166    H    ASP  24           HN       ASP  24  44.851  -2.903   4.434
  167    HA   ASP  24           HA       ASP  24  43.887  -5.205   5.996
  168    HB2  ASP  24           HB2      ASP  24  42.090  -3.701   4.836
  169    HB3  ASP  24           HB1      ASP  24  42.634  -4.486   3.358
  170    H    TYR  25           HN       TYR  25  45.502  -6.626   5.722
  171    HA   TYR  25           HA       TYR  25  46.940  -8.111   4.809
  172    HB2  TYR  25           HB2      TYR  25  45.152  -7.772   2.396
  173    HB3  TYR  25           HB1      TYR  25  46.462  -8.944   2.471
  174    HD1  TYR  25           HD1      TYR  25  46.298 -10.905   3.910
  175    HD2  TYR  25           HD2      TYR  25  43.121  -8.085   3.682
  176    HE1  TYR  25           HE1      TYR  25  44.793 -12.522   4.989
  177    HE2  TYR  25           HE2      TYR  25  41.607  -9.694   4.762
  178    HH   TYR  25           HH       TYR  25  42.709 -12.512   6.293
  Start of MODEL   13
    1    H1   PHE   1           HT1      PHE   1  29.383  12.100 -21.389
    2    H2   PHE   1           HT2      PHE   1  31.010  11.891 -21.796
    3    H3   PHE   1           HT3      PHE   1  30.593  12.615 -20.326
    4    HA   PHE   1           HA       PHE   1  29.612  10.577 -19.540
    5    HB2  PHE   1           HB2      PHE   1  30.487   9.545 -22.245
    6    HB3  PHE   1           HB1      PHE   1  30.039   8.493 -20.906
    7    HD1  PHE   1           HD1      PHE   1  28.825  10.841 -23.427
    8    HD2  PHE   1           HD2      PHE   1  27.735   8.300 -20.192
    9    HE1  PHE   1           HE1      PHE   1  26.464  10.999 -24.103
   10    HE2  PHE   1           HE2      PHE   1  25.373   8.453 -20.862
   11    HZ   PHE   1           HZ       PHE   1  24.735   9.804 -22.820
   12    H    GLY   2           HN       GLY   2  30.857   9.383 -18.175
   13    HA2  GLY   2           HA2      GLY   2  33.231   8.215 -18.295
   14    HA3  GLY   2           HA1      GLY   2  33.731   9.898 -18.271
   15    H    VAL   3           HN       VAL   3  31.948   7.430 -16.485
   16    HA   VAL   3           HA       VAL   3  32.825   8.670 -13.982
   17    HB   VAL   3           HB       VAL   3  30.550   8.096 -12.960
   18   HG11  VAL   3          HG11      VAL   3  30.752  10.361 -14.937
   19   HG12  VAL   3          HG12      VAL   3  31.318  10.372 -13.268
   20   HG13  VAL   3          HG13      VAL   3  29.593  10.258 -13.612
   21   HG21  VAL   3          HG21      VAL   3  28.607   8.193 -14.461
   22   HG22  VAL   3          HG22      VAL   3  29.612   6.783 -14.798
   23   HG23  VAL   3          HG23      VAL   3  29.685   8.192 -15.857
   24    H    ARG   4           HN       ARG   4  33.822   7.247 -12.760
   25    HA   ARG   4           HA       ARG   4  33.366   4.383 -13.209
   26    HB2  ARG   4           HB2      ARG   4  35.656   5.918 -11.989
   27    HB3  ARG   4           HB1      ARG   4  35.512   4.173 -11.831
   28    HG2  ARG   4           HG2      ARG   4  35.565   3.950 -14.268
   29    HG3  ARG   4           HG1      ARG   4  35.723   5.702 -14.419
   30    HD2  ARG   4           HD2      ARG   4  37.831   5.618 -13.181
   31    HD3  ARG   4           HD1      ARG   4  37.670   3.869 -13.023
   32    HE   ARG   4           HE       ARG   4  37.556   4.573 -15.745
   33   HH11  ARG   4          HH11      ARG   4  41.237   4.145 -14.196
   34   HH12  ARG   4          HH12      ARG   4  39.896   4.403 -13.130
   35   HH21  ARG   4          HH21      ARG   4  39.327   4.233 -17.118
   36   HH22  ARG   4          HH22      ARG   4  40.914   4.049 -16.451
   37    H    VAL   5           HN       VAL   5  32.922   2.966 -11.543
   38    HA   VAL   5           HA       VAL   5  32.426   4.068  -8.877
   39    HB   VAL   5           HB       VAL   5  30.266   2.701  -8.769
   40   HG11  VAL   5          HG11      VAL   5  30.293   5.122  -8.748
   41   HG12  VAL   5          HG12      VAL   5  28.931   4.533  -9.702
   42   HG13  VAL   5          HG13      VAL   5  30.370   5.158 -10.510
   43   HG21  VAL   5          HG21      VAL   5  29.042   2.399 -10.878
   44   HG22  VAL   5          HG22      VAL   5  30.506   1.417 -10.836
   45   HG23  VAL   5          HG23      VAL   5  30.471   2.907 -11.780
   46    H    GLY   6           HN       GLY   6  33.421   2.881  -7.422
   47    HA2  GLY   6           HA2      GLY   6  33.315  -0.017  -7.510
   48    HA3  GLY   6           HA1      GLY   6  34.919   0.670  -7.704
   49    H    THR   7           HN       THR   7  33.848  -1.025  -5.572
   50    HA   THR   7           HA       THR   7  34.568   0.689  -3.302
   51    HB   THR   7           HB       THR   7  32.849  -0.575  -1.910
   52    HG1  THR   7           HG1      THR   7  30.994  -1.060  -3.585
   53   HG21  THR   7          HG21      THR   7  31.841   1.304  -4.049
   54   HG22  THR   7          HG22      THR   7  32.559   1.776  -2.509
   55   HG23  THR   7          HG23      THR   7  31.012   0.928  -2.538
   56    H    CYS   8           HN       CYS   8  35.907  -0.234  -1.865
   57    HA   CYS   8           HA       CYS   8  36.757  -2.991  -2.377
   58    HB2  CYS   8           HB2      CYS   8  38.740  -2.333  -0.949
   59    HB3  CYS   8           HB1      CYS   8  38.578  -1.451  -2.470
   60    HA   PRO   9           HA       PRO   9  34.952  -4.648   1.345
   61    HB2  PRO   9           HB2      PRO   9  36.945  -6.341   2.222
   62    HB3  PRO   9           HB1      PRO   9  35.821  -6.726   0.900
   63    HG2  PRO   9           HG2      PRO   9  38.610  -5.680   0.761
   64    HG3  PRO   9           HG1      PRO   9  37.833  -6.955  -0.209
   65    HD2  PRO   9           HD2      PRO   9  38.157  -4.501  -1.198
   66    HD3  PRO   9           HD1      PRO   9  36.679  -5.428  -1.528
   67    H    SER  10           HN       SER  10  35.234  -4.871   3.694
   68    HA   SER  10           HA       SER  10  36.140  -2.521   4.915
   69    HB2  SER  10           HB2      SER  10  35.540  -5.205   6.177
   70    HB3  SER  10           HB1      SER  10  35.688  -3.680   7.051
   71    HG   SER  10           HG       SER  10  33.705  -4.489   5.216
   72    H    GLY  11           HN       GLY  11  37.984  -1.882   5.819
   73    HA2  GLY  11           HA2      GLY  11  40.032  -2.197   6.996
   74    HA3  GLY  11           HA1      GLY  11  40.112  -3.838   6.360
   75    H    TYR  12           HN       TYR  12  39.414  -0.957   4.467
   76    HA   TYR  12           HA       TYR  12  42.049  -1.147   3.171
   77    HB2  TYR  12           HB2      TYR  12  39.400  -1.553   2.004
   78    HB3  TYR  12           HB1      TYR  12  40.332  -0.314   1.157
   79    HD1  TYR  12           HD1      TYR  12  42.495  -0.893   0.123
   80    HD2  TYR  12           HD2      TYR  12  39.998  -3.865   1.861
   81    HE1  TYR  12           HE1      TYR  12  43.756  -2.632  -1.063
   82    HE2  TYR  12           HE2      TYR  12  41.250  -5.618   0.675
   83    HH   TYR  12           HH       TYR  12  42.667  -5.838  -1.323
   84    H    VAL  13           HN       VAL  13  42.537   0.845   1.817
   85    HA   VAL  13           HA       VAL  13  41.499   3.226   3.215
   86    HB   VAL  13           HB       VAL  13  43.652   4.372   2.521
   87   HG11  VAL  13          HG11      VAL  13  44.926   3.440   4.404
   88   HG12  VAL  13          HG12      VAL  13  43.806   2.079   4.469
   89   HG13  VAL  13          HG13      VAL  13  43.230   3.713   4.804
   90   HG21  VAL  13          HG21      VAL  13  44.708   1.564   2.170
   91   HG22  VAL  13          HG22      VAL  13  45.600   3.075   2.007
   92   HG23  VAL  13          HG23      VAL  13  44.351   2.658   0.834
   93    H    ARG  14           HN       ARG  14  40.182   4.436   2.033
   94    HA   ARG  14           HA       ARG  14  40.371   4.364  -0.897
   95    HB2  ARG  14           HB2      ARG  14  38.189   5.471   0.875
   96    HB3  ARG  14           HB1      ARG  14  38.120   5.337  -0.881
   97    HG2  ARG  14           HG2      ARG  14  38.198   2.894  -0.702
   98    HG3  ARG  14           HG1      ARG  14  38.249   3.030   1.061
   99    HD2  ARG  14           HD2      ARG  14  36.070   4.142   1.034
  100    HD3  ARG  14           HD1      ARG  14  36.022   4.012  -0.723
  101    HE   ARG  14           HE       ARG  14  36.387   1.450   0.338
  102   HH11  ARG  14          HH11      ARG  14  33.883   3.910   0.238
  103   HH12  ARG  14          HH12      ARG  14  32.591   2.761   0.362
  104   HH21  ARG  14          HH21      ARG  14  33.045   0.532   0.509
  105   HH22  ARG  14          HH22      ARG  14  34.681  -0.034   0.498
  106    H    ARG  15           HN       ARG  15  41.914   5.836  -1.455
  107    HA   ARG  15           HA       ARG  15  41.287   8.641  -1.053
  108    HB2  ARG  15           HB2      ARG  15  43.867   7.426  -0.044
  109    HB3  ARG  15           HB1      ARG  15  43.676   9.144  -0.348
  110    HG2  ARG  15           HG2      ARG  15  41.674   7.832   1.420
  111    HG3  ARG  15           HG1      ARG  15  43.307   8.083   2.059
  112    HD2  ARG  15           HD2      ARG  15  43.146  10.473   1.522
  113    HD3  ARG  15           HD1      ARG  15  41.521  10.218   0.889
  114    HE   ARG  15           HE       ARG  15  41.575   9.266   3.511
  115   HH11  ARG  15          HH11      ARG  15  41.849  12.357   1.865
  116   HH12  ARG  15          HH12      ARG  15  41.213  13.254   3.202
  117   HH21  ARG  15          HH21      ARG  15  40.746  10.462   5.248
  118   HH22  ARG  15          HH22      ARG  15  40.590  12.182   5.116
  119    H    GLY  16           HN       GLY  16  41.859   9.868  -2.768
  120    HA2  GLY  16           HA2      GLY  16  42.926  10.515  -4.723
  121    HA3  GLY  16           HA1      GLY  16  43.975   9.107  -4.583
  122    H    THR  17           HN       THR  17  40.452   9.475  -4.861
  123    HA   THR  17           HA       THR  17  38.871   8.455  -6.091
  124    HB   THR  17           HB       THR  17  39.645  10.170  -7.676
  125    HG1  THR  17           HG1      THR  17  37.923   8.545  -8.129
  126   HG21  THR  17          HG21      THR  17  41.249   7.956  -8.977
  127   HG22  THR  17          HG22      THR  17  41.914   9.376  -8.169
  128   HG23  THR  17          HG23      THR  17  40.974   9.564  -9.649
  129    H    PHE  18           HN       PHE  18  41.078   6.606  -5.093
  130    HA   PHE  18           HA       PHE  18  39.993   4.218  -6.245
  131    HB2  PHE  18           HB2      PHE  18  42.322   3.255  -6.802
  132    HB3  PHE  18           HB1      PHE  18  41.570   4.319  -7.975
  133    HD1  PHE  18           HD1      PHE  18  42.940   5.839  -8.996
  134    HD2  PHE  18           HD2      PHE  18  43.886   4.600  -5.030
  135    HE1  PHE  18           HE1      PHE  18  44.983   7.204  -9.057
  136    HE2  PHE  18           HE2      PHE  18  45.927   5.970  -5.088
  137    HZ   PHE  18           HZ       PHE  18  46.477   7.274  -7.102
  138    H    CYS  19           HN       CYS  19  40.416   2.354  -5.052
  139    HA   CYS  19           HA       CYS  19  41.426   2.877  -2.347
  140    HB2  CYS  19           HB2      CYS  19  39.095   1.997  -2.662
  141    HB3  CYS  19           HB1      CYS  19  39.797   0.521  -3.328
  142    H    PHE  20           HN       PHE  20  43.254   1.975  -1.622
  143    HA   PHE  20           HA       PHE  20  44.398  -0.276  -3.122
  144    HB2  PHE  20           HB2      PHE  20  46.621   0.697  -2.986
  145    HB3  PHE  20           HB1      PHE  20  45.527   1.860  -3.734
  146    HD1  PHE  20           HD1      PHE  20  44.685   3.796  -2.346
  147    HD2  PHE  20           HD2      PHE  20  47.812   1.218  -1.042
  148    HE1  PHE  20           HE1      PHE  20  45.378   5.478  -0.688
  149    HE2  PHE  20           HE2      PHE  20  48.511   2.897   0.614
  150    HZ   PHE  20           HZ       PHE  20  47.290   5.023   0.799
  151    HA   PRO  21           HA       PRO  21  45.124  -2.082   0.924
  152    HB2  PRO  21           HB2      PRO  21  47.603  -3.389   0.219
  153    HB3  PRO  21           HB1      PRO  21  45.981  -4.102   0.335
  154    HG2  PRO  21           HG2      PRO  21  47.343  -3.847  -2.003
  155    HG3  PRO  21           HG1      PRO  21  45.572  -3.868  -1.890
  156    HD2  PRO  21           HD2      PRO  21  47.415  -1.521  -2.170
  157    HD3  PRO  21           HD1      PRO  21  45.866  -1.845  -2.980
  158    H    ASP  22           HN       ASP  22  45.896  -1.398   2.771
  159    HA   ASP  22           HA       ASP  22  48.633  -0.666   3.218
  160    HB2  ASP  22           HB2      ASP  22  47.637   1.406   2.143
  161    HB3  ASP  22           HB1      ASP  22  46.570   1.533   3.539
  162    H    ASP  23           HN       ASP  23  45.322  -0.207   4.474
  163    HA   ASP  23           HA       ASP  23  46.197  -0.770   7.189
  164    HB2  ASP  23           HB2      ASP  23  44.519   1.068   6.437
  165    HB3  ASP  23           HB1      ASP  23  43.352  -0.249   6.349
  166    H    ASP  24           HN       ASP  24  45.436  -2.651   4.612
  167    HA   ASP  24           HA       ASP  24  43.801  -4.613   6.025
  168    HB2  ASP  24           HB2      ASP  24  43.623  -3.884   3.501
  169    HB3  ASP  24           HB1      ASP  24  44.911  -5.063   3.276
  170    H    TYR  25           HN       TYR  25  47.044  -4.334   4.597
  171    HA   TYR  25           HA       TYR  25  47.883  -6.655   6.200
  172    HB2  TYR  25           HB2      TYR  25  48.601  -6.027   3.334
  173    HB3  TYR  25           HB1      TYR  25  49.534  -7.144   4.322
  174    HD1  TYR  25           HD1      TYR  25  46.441  -6.637   2.466
  175    HD2  TYR  25           HD2      TYR  25  48.562  -9.290   5.028
  176    HE1  TYR  25           HE1      TYR  25  44.901  -8.453   1.851
  177    HE2  TYR  25           HE2      TYR  25  47.028 -11.113   4.419
  178    HH   TYR  25           HH       TYR  25  44.876 -10.909   1.805
  Start of MODEL   14
    1    H1   PHE   1           HT1      PHE   1  19.092   6.612   5.167
    2    H2   PHE   1           HT2      PHE   1  17.999   5.375   5.536
    3    H3   PHE   1           HT3      PHE   1  18.424   5.675   3.926
    4    HA   PHE   1           HA       PHE   1  20.684   5.006   4.345
    5    HB2  PHE   1           HB2      PHE   1  19.640   4.553   7.146
    6    HB3  PHE   1           HB1      PHE   1  21.155   3.877   6.560
    7    HD1  PHE   1           HD1      PHE   1  19.412   6.919   7.584
    8    HD2  PHE   1           HD2      PHE   1  23.080   5.290   6.166
    9    HE1  PHE   1           HE1      PHE   1  20.572   8.998   8.206
   10    HE2  PHE   1           HE2      PHE   1  24.246   7.366   6.785
   11    HZ   PHE   1           HZ       PHE   1  22.990   9.224   7.807
   12    H    GLY   2           HN       GLY   2  21.285   2.886   3.916
   13    HA2  GLY   2           HA2      GLY   2  20.050   0.526   4.528
   14    HA3  GLY   2           HA1      GLY   2  19.137   1.136   3.157
   15    H    VAL   3           HN       VAL   3  22.599   1.068   3.997
   16    HA   VAL   3           HA       VAL   3  23.133  -0.565   1.632
   17    HB   VAL   3           HB       VAL   3  25.156   0.914   1.111
   18   HG11  VAL   3          HG11      VAL   3  22.382   1.964   0.579
   19   HG12  VAL   3          HG12      VAL   3  23.240   0.740  -0.358
   20   HG13  VAL   3          HG13      VAL   3  23.833   2.400  -0.323
   21   HG21  VAL   3          HG21      VAL   3  25.138   2.323   3.108
   22   HG22  VAL   3          HG22      VAL   3  23.550   2.949   2.667
   23   HG23  VAL   3          HG23      VAL   3  24.947   3.301   1.653
   24    H    ARG   4           HN       ARG   4  24.322  -2.233   2.192
   25    HA   ARG   4           HA       ARG   4  26.088  -2.021   4.535
   26    HB2  ARG   4           HB2      ARG   4  24.653  -4.372   3.316
   27    HB3  ARG   4           HB1      ARG   4  25.962  -4.577   4.472
   28    HG2  ARG   4           HG2      ARG   4  24.690  -3.299   6.129
   29    HG3  ARG   4           HG1      ARG   4  23.375  -3.112   4.969
   30    HD2  ARG   4           HD2      ARG   4  23.102  -5.541   4.890
   31    HD3  ARG   4           HD1      ARG   4  24.424  -5.730   6.042
   32    HE   ARG   4           HE       ARG   4  22.459  -4.035   7.135
   33   HH11  ARG   4          HH11      ARG   4  21.848  -7.978   7.600
   34   HH12  ARG   4          HH12      ARG   4  22.936  -7.430   6.370
   35   HH21  ARG   4          HH21      ARG   4  21.036  -4.778   8.737
   36   HH22  ARG   4          HH22      ARG   4  20.773  -6.477   8.939
   37    H    VAL   5           HN       VAL   5  25.916  -3.185   1.209
   38    HA   VAL   5           HA       VAL   5  28.813  -3.645   1.223
   39    HB   VAL   5           HB       VAL   5  27.339  -5.534   0.502
   40   HG11  VAL   5          HG11      VAL   5  25.578  -4.396  -0.665
   41   HG12  VAL   5          HG12      VAL   5  26.380  -5.505  -1.778
   42   HG13  VAL   5          HG13      VAL   5  26.714  -3.775  -1.864
   43   HG21  VAL   5          HG21      VAL   5  28.666  -6.172  -1.464
   44   HG22  VAL   5          HG22      VAL   5  29.660  -5.498  -0.173
   45   HG23  VAL   5          HG23      VAL   5  29.264  -4.516  -1.583
   46    H    GLY   6           HN       GLY   6  30.184  -2.487  -0.017
   47    HA2  GLY   6           HA2      GLY   6  29.021  -0.298  -1.627
   48    HA3  GLY   6           HA1      GLY   6  30.529  -0.170  -0.735
   49    H    THR   7           HN       THR   7  32.100   0.067  -2.177
   50    HA   THR   7           HA       THR   7  32.110  -1.657  -4.562
   51    HB   THR   7           HB       THR   7  33.803   0.020  -5.459
   52    HG1  THR   7           HG1      THR   7  34.249   1.735  -4.292
   53   HG21  THR   7          HG21      THR   7  31.493  -0.036  -6.252
   54   HG22  THR   7          HG22      THR   7  32.080   1.624  -6.153
   55   HG23  THR   7          HG23      THR   7  30.997   0.996  -4.911
   56    H    CYS   8           HN       CYS   8  34.287  -0.217  -2.151
   57    HA   CYS   8           HA       CYS   8  36.313  -2.231  -2.725
   58    HB2  CYS   8           HB2      CYS   8  36.392   0.251  -0.995
   59    HB3  CYS   8           HB1      CYS   8  37.752  -0.820  -1.300
   60    HA   PRO   9           HA       PRO   9  35.321  -4.664   0.892
   61    HB2  PRO   9           HB2      PRO   9  37.793  -5.625   1.588
   62    HB3  PRO   9           HB1      PRO   9  36.850  -6.246   0.215
   63    HG2  PRO   9           HG2      PRO   9  39.115  -4.312   0.227
   64    HG3  PRO   9           HG1      PRO   9  38.777  -5.652  -0.893
   65    HD2  PRO   9           HD2      PRO   9  38.239  -3.084  -1.525
   66    HD3  PRO   9           HD1      PRO   9  37.239  -4.434  -2.101
   67    H    SER  10           HN       SER  10  35.765  -4.913   3.216
   68    HA   SER  10           HA       SER  10  36.173  -2.361   4.475
   69    HB2  SER  10           HB2      SER  10  35.659  -3.630   6.579
   70    HB3  SER  10           HB1      SER  10  34.420  -3.765   5.332
   71    HG   SER  10           HG       SER  10  36.011  -5.697   6.439
   72    H    GLY  11           HN       GLY  11  37.906  -1.599   5.492
   73    HA2  GLY  11           HA2      GLY  11  39.865  -1.723   6.816
   74    HA3  GLY  11           HA1      GLY  11  40.050  -3.410   6.341
   75    H    TYR  12           HN       TYR  12  39.584  -0.507   4.351
   76    HA   TYR  12           HA       TYR  12  42.267  -0.859   3.209
   77    HB2  TYR  12           HB2      TYR  12  39.659  -1.078   1.826
   78    HB3  TYR  12           HB1      TYR  12  40.881  -0.102   1.004
   79    HD1  TYR  12           HD1      TYR  12  40.008  -3.476   2.162
   80    HD2  TYR  12           HD2      TYR  12  42.877  -1.095   0.126
   81    HE1  TYR  12           HE1      TYR  12  41.084  -5.517   1.307
   82    HE2  TYR  12           HE2      TYR  12  43.969  -3.118  -0.729
   83    HH   TYR  12           HH       TYR  12  44.150  -5.504  -0.149
   84    H    VAL  13           HN       VAL  13  43.002   1.040   1.929
   85    HA   VAL  13           HA       VAL  13  42.055   3.512   3.208
   86    HB   VAL  13           HB       VAL  13  44.651   3.017   1.712
   87   HG11  VAL  13          HG11      VAL  13  43.776   5.433   3.305
   88   HG12  VAL  13          HG12      VAL  13  43.972   5.362   1.554
   89   HG13  VAL  13          HG13      VAL  13  45.377   5.185   2.607
   90   HG21  VAL  13          HG21      VAL  13  45.703   3.196   3.936
   91   HG22  VAL  13          HG22      VAL  13  44.612   1.814   3.811
   92   HG23  VAL  13          HG23      VAL  13  44.100   3.268   4.666
   93    H    ARG  14           HN       ARG  14  40.505   4.478   2.068
   94    HA   ARG  14           HA       ARG  14  40.549   4.421  -0.865
   95    HB2  ARG  14           HB2      ARG  14  38.373   5.391   0.986
   96    HB3  ARG  14           HB1      ARG  14  38.232   5.138  -0.752
   97    HG2  ARG  14           HG2      ARG  14  38.500   2.736  -0.450
   98    HG3  ARG  14           HG1      ARG  14  38.690   2.967   1.294
   99    HD2  ARG  14           HD2      ARG  14  36.426   3.948   1.374
  100    HD3  ARG  14           HD1      ARG  14  36.245   3.622  -0.349
  101    HE   ARG  14           HE       ARG  14  36.908   1.214   0.850
  102   HH11  ARG  14          HH11      ARG  14  34.245   3.498   1.032
  103   HH12  ARG  14          HH12      ARG  14  33.083   2.287   1.456
  104   HH21  ARG  14          HH21      ARG  14  33.720   0.108   1.668
  105   HH22  ARG  14          HH22      ARG  14  35.369  -0.356   1.408
  106    H    ARG  15           HN       ARG  15  41.910   6.035  -1.515
  107    HA   ARG  15           HA       ARG  15  41.054   8.766  -1.001
  108    HB2  ARG  15           HB2      ARG  15  43.822   7.769  -0.312
  109    HB3  ARG  15           HB1      ARG  15  43.449   9.473  -0.542
  110    HG2  ARG  15           HG2      ARG  15  42.056   9.542   1.347
  111    HG3  ARG  15           HG1      ARG  15  41.938   7.781   1.435
  112    HD2  ARG  15           HD2      ARG  15  43.399   8.454   3.182
  113    HD3  ARG  15           HD1      ARG  15  44.421   7.768   1.921
  114    HE   ARG  15           HE       ARG  15  44.229  10.553   1.553
  115   HH11  ARG  15          HH11      ARG  15  45.714   8.252   3.752
  116   HH12  ARG  15          HH12      ARG  15  47.011   9.319   4.172
  117   HH21  ARG  15          HH21      ARG  15  45.938  11.930   2.117
  118   HH22  ARG  15          HH22      ARG  15  47.137  11.399   3.248
  119    H    GLY  16           HN       GLY  16  41.181   9.985  -2.792
  120    HA2  GLY  16           HA2      GLY  16  41.897  10.755  -4.860
  121    HA3  GLY  16           HA1      GLY  16  43.173   9.541  -4.839
  122    H    THR  17           HN       THR  17  39.776   8.816  -4.390
  123    HA   THR  17           HA       THR  17  38.259   7.554  -5.469
  124    HB   THR  17           HB       THR  17  38.049   7.668  -7.928
  125    HG1  THR  17           HG1      THR  17  40.007   7.861  -8.807
  126   HG21  THR  17          HG21      THR  17  37.060   9.427  -6.563
  127   HG22  THR  17          HG22      THR  17  37.652  10.085  -8.088
  128   HG23  THR  17          HG23      THR  17  38.574  10.331  -6.604
  129    H    PHE  18           HN       PHE  18  41.011   6.408  -4.843
  130    HA   PHE  18           HA       PHE  18  40.570   3.886  -6.264
  131    HB2  PHE  18           HB2      PHE  18  42.968   3.531  -6.624
  132    HB3  PHE  18           HB1      PHE  18  42.417   4.975  -7.456
  133    HD1  PHE  18           HD1      PHE  18  43.271   7.138  -6.870
  134    HD2  PHE  18           HD2      PHE  18  44.422   3.694  -4.655
  135    HE1  PHE  18           HE1      PHE  18  45.092   8.421  -5.829
  136    HE2  PHE  18           HE2      PHE  18  46.244   4.972  -3.606
  137    HZ   PHE  18           HZ       PHE  18  46.581   7.339  -4.193
  138    H    CYS  19           HN       CYS  19  41.118   2.016  -5.142
  139    HA   CYS  19           HA       CYS  19  41.640   2.400  -2.266
  140    HB2  CYS  19           HB2      CYS  19  40.106   0.195  -3.665
  141    HB3  CYS  19           HB1      CYS  19  40.447   0.243  -1.934
  142    H    PHE  20           HN       PHE  20  43.520   1.659  -1.532
  143    HA   PHE  20           HA       PHE  20  44.810  -0.554  -2.962
  144    HB2  PHE  20           HB2      PHE  20  46.991   0.492  -2.713
  145    HB3  PHE  20           HB1      PHE  20  45.900   1.606  -3.532
  146    HD1  PHE  20           HD1      PHE  20  48.028   1.056  -0.687
  147    HD2  PHE  20           HD2      PHE  20  44.935   3.535  -2.238
  148    HE1  PHE  20           HE1      PHE  20  48.566   2.770   0.992
  149    HE2  PHE  20           HE2      PHE  20  45.470   5.254  -0.561
  150    HZ   PHE  20           HZ       PHE  20  47.283   4.866   1.059
  151    HA   PRO  21           HA       PRO  21  45.321  -2.323   1.120
  152    HB2  PRO  21           HB2      PRO  21  47.758  -3.743   0.514
  153    HB3  PRO  21           HB1      PRO  21  46.102  -4.379   0.554
  154    HG2  PRO  21           HG2      PRO  21  47.596  -4.173  -1.719
  155    HG3  PRO  21           HG1      PRO  21  45.821  -4.163  -1.686
  156    HD2  PRO  21           HD2      PRO  21  47.719  -1.855  -1.907
  157    HD3  PRO  21           HD1      PRO  21  46.191  -2.151  -2.765
  158    H    ASP  22           HN       ASP  22  46.085  -1.702   2.989
  159    HA   ASP  22           HA       ASP  22  48.822  -1.038   3.506
  160    HB2  ASP  22           HB2      ASP  22  47.923   1.058   2.400
  161    HB3  ASP  22           HB1      ASP  22  46.815   1.216   3.759
  162    H    ASP  23           HN       ASP  23  45.490  -0.493   4.671
  163    HA   ASP  23           HA       ASP  23  46.263  -1.010   7.421
  164    HB2  ASP  23           HB2      ASP  23  44.597   0.780   6.612
  165    HB3  ASP  23           HB1      ASP  23  43.458  -0.546   6.414
  166    H    ASP  24           HN       ASP  24  45.361  -2.894   4.788
  167    HA   ASP  24           HA       ASP  24  43.991  -4.918   6.400
  168    HB2  ASP  24           HB2      ASP  24  43.635  -6.069   4.181
  169    HB3  ASP  24           HB1      ASP  24  42.861  -4.500   4.340
  170    H    TYR  25           HN       TYR  25  46.855  -4.561   4.331
  171    HA   TYR  25           HA       TYR  25  47.995  -6.956   5.615
  172    HB2  TYR  25           HB2      TYR  25  47.322  -7.096   3.097
  173    HB3  TYR  25           HB1      TYR  25  48.763  -6.121   2.829
  174    HD1  TYR  25           HD1      TYR  25  50.981  -7.055   3.190
  175    HD2  TYR  25           HD2      TYR  25  47.496  -9.405   3.837
  176    HE1  TYR  25           HE1      TYR  25  52.366  -9.086   3.219
  177    HE2  TYR  25           HE2      TYR  25  48.869 -11.445   3.867
  178    HH   TYR  25           HH       TYR  25  51.051 -12.208   3.031
  Start of MODEL   15
    1    H1   PHE   1           HT1      PHE   1  31.415 -15.756  -6.267
    2    H2   PHE   1           HT2      PHE   1  31.290 -14.224  -5.563
    3    H3   PHE   1           HT3      PHE   1  32.236 -15.417  -4.827
    4    HA   PHE   1           HA       PHE   1  33.612 -13.797  -5.953
    5    HB2  PHE   1           HB2      PHE   1  33.538 -16.570  -7.156
    6    HB3  PHE   1           HB1      PHE   1  34.842 -15.426  -7.450
    7    HD1  PHE   1           HD1      PHE   1  36.427 -14.867  -5.708
    8    HD2  PHE   1           HD2      PHE   1  33.274 -17.637  -5.002
    9    HE1  PHE   1           HE1      PHE   1  37.561 -15.631  -3.663
   10    HE2  PHE   1           HE2      PHE   1  34.401 -18.405  -2.955
   11    HZ   PHE   1           HZ       PHE   1  36.548 -17.401  -2.283
   12    H    GLY   2           HN       GLY   2  34.243 -12.724  -7.833
   13    HA2  GLY   2           HA2      GLY   2  33.516 -13.001 -10.420
   14    HA3  GLY   2           HA1      GLY   2  32.098 -12.246  -9.711
   15    H    VAL   3           HN       VAL   3  32.253 -10.314 -10.775
   16    HA   VAL   3           HA       VAL   3  34.411  -8.551  -9.876
   17    HB   VAL   3           HB       VAL   3  34.403  -7.460 -12.189
   18   HG11  VAL   3          HG11      VAL   3  35.581 -10.216 -11.867
   19   HG12  VAL   3          HG12      VAL   3  36.298  -8.698 -11.324
   20   HG13  VAL   3          HG13      VAL   3  36.097  -9.011 -13.048
   21   HG21  VAL   3          HG21      VAL   3  32.453  -8.576 -13.149
   22   HG22  VAL   3          HG22      VAL   3  33.254 -10.138 -12.995
   23   HG23  VAL   3          HG23      VAL   3  33.898  -8.924 -14.099
   24    H    ARG   4           HN       ARG   4  33.552  -6.906  -8.849
   25    HA   ARG   4           HA       ARG   4  31.073  -5.693  -9.869
   26    HB2  ARG   4           HB2      ARG   4  31.722  -6.432  -7.020
   27    HB3  ARG   4           HB1      ARG   4  30.501  -5.234  -7.418
   28    HG2  ARG   4           HG2      ARG   4  29.269  -6.924  -8.698
   29    HG3  ARG   4           HG1      ARG   4  30.488  -8.124  -8.271
   30    HD2  ARG   4           HD2      ARG   4  28.715  -8.456  -6.757
   31    HD3  ARG   4           HD1      ARG   4  29.955  -7.597  -5.849
   32    HE   ARG   4           HE       ARG   4  28.216  -5.698  -6.924
   33   HH11  ARG   4          HH11      ARG   4  26.851  -7.508  -3.607
   34   HH12  ARG   4          HH12      ARG   4  28.097  -8.272  -4.537
   35   HH21  ARG   4          HH21      ARG   4  26.587  -4.717  -5.690
   36   HH22  ARG   4          HH22      ARG   4  25.998  -5.497  -4.260
   37    H    VAL   5           HN       VAL   5  30.874  -3.476  -9.620
   38    HA   VAL   5           HA       VAL   5  33.211  -2.045  -8.559
   39    HB   VAL   5           HB       VAL   5  32.860  -0.336 -10.434
   40   HG11  VAL   5          HG11      VAL   5  34.309  -1.579 -11.975
   41   HG12  VAL   5          HG12      VAL   5  33.954  -3.065 -11.094
   42   HG13  VAL   5          HG13      VAL   5  34.817  -1.750 -10.296
   43   HG21  VAL   5          HG21      VAL   5  31.483  -2.687 -11.751
   44   HG22  VAL   5          HG22      VAL   5  31.969  -1.194 -12.555
   45   HG23  VAL   5          HG23      VAL   5  30.725  -1.156 -11.306
   46    H    GLY   6           HN       GLY   6  32.665  -0.673  -7.027
   47    HA2  GLY   6           HA2      GLY   6  30.785   1.347  -7.167
   48    HA3  GLY   6           HA1      GLY   6  29.955  -0.018  -6.438
   49    H    THR   7           HN       THR   7  31.683  -1.136  -4.770
   50    HA   THR   7           HA       THR   7  32.797   0.984  -3.071
   51    HB   THR   7           HB       THR   7  31.877  -0.277  -1.058
   52    HG1  THR   7           HG1      THR   7  29.768  -1.179  -2.632
   53   HG21  THR   7          HG21      THR   7  30.990   1.893  -1.755
   54   HG22  THR   7          HG22      THR   7  29.701   0.851  -1.155
   55   HG23  THR   7          HG23      THR   7  29.903   1.093  -2.891
   56    H    CYS   8           HN       CYS   8  34.440   0.333  -1.651
   57    HA   CYS   8           HA       CYS   8  35.864  -2.068  -2.489
   58    HB2  CYS   8           HB2      CYS   8  36.645   0.393  -0.928
   59    HB3  CYS   8           HB1      CYS   8  37.703  -1.005  -1.070
   60    HA   PRO   9           HA       PRO   9  34.966  -4.433   1.190
   61    HB2  PRO   9           HB2      PRO   9  37.374  -5.669   1.673
   62    HB3  PRO   9           HB1      PRO   9  36.243  -6.177   0.400
   63    HG2  PRO   9           HG2      PRO   9  38.687  -4.484   0.186
   64    HG3  PRO   9           HG1      PRO   9  38.126  -5.795  -0.877
   65    HD2  PRO   9           HD2      PRO   9  37.777  -3.222  -1.540
   66    HD3  PRO   9           HD1      PRO   9  36.558  -4.452  -1.928
   67    H    SER  10           HN       SER  10  35.568  -4.765   3.467
   68    HA   SER  10           HA       SER  10  36.368  -2.294   4.702
   69    HB2  SER  10           HB2      SER  10  34.516  -3.766   5.551
   70    HB3  SER  10           HB1      SER  10  35.742  -4.928   6.053
   71    HG   SER  10           HG       SER  10  34.865  -3.018   7.498
   72    H    GLY  11           HN       GLY  11  38.244  -1.767   5.626
   73    HA2  GLY  11           HA2      GLY  11  40.220  -2.348   6.904
   74    HA3  GLY  11           HA1      GLY  11  40.285  -3.865   6.011
   75    H    TYR  12           HN       TYR  12  39.487  -1.448   3.870
   76    HA   TYR  12           HA       TYR  12  42.289  -1.141   3.023
   77    HB2  TYR  12           HB2      TYR  12  39.783  -1.672   1.563
   78    HB3  TYR  12           HB1      TYR  12  40.824  -0.455   0.822
   79    HD1  TYR  12           HD1      TYR  12  43.055  -1.043   0.031
   80    HD2  TYR  12           HD2      TYR  12  40.449  -3.989   1.646
   81    HE1  TYR  12           HE1      TYR  12  44.474  -2.806  -0.922
   82    HE2  TYR  12           HE2      TYR  12  41.858  -5.768   0.693
   83    HH   TYR  12           HH       TYR  12  43.487  -6.048  -1.129
   84    H    VAL  13           HN       VAL  13  42.890   0.879   1.972
   85    HA   VAL  13           HA       VAL  13  41.533   3.164   3.229
   86    HB   VAL  13           HB       VAL  13  44.292   3.077   1.965
   87   HG11  VAL  13          HG11      VAL  13  43.331   5.325   1.925
   88   HG12  VAL  13          HG12      VAL  13  44.660   5.232   3.082
   89   HG13  VAL  13          HG13      VAL  13  42.991   5.221   3.654
   90   HG21  VAL  13          HG21      VAL  13  43.484   2.998   4.871
   91   HG22  VAL  13          HG22      VAL  13  45.134   3.194   4.283
   92   HG23  VAL  13          HG23      VAL  13  44.252   1.702   3.954
   93    H    ARG  14           HN       ARG  14  40.137   4.248   2.002
   94    HA   ARG  14           HA       ARG  14  40.362   4.151  -0.924
   95    HB2  ARG  14           HB2      ARG  14  38.066   5.229   0.709
   96    HB3  ARG  14           HB1      ARG  14  38.055   4.803  -1.000
   97    HG2  ARG  14           HG2      ARG  14  38.207   2.459  -0.479
   98    HG3  ARG  14           HG1      ARG  14  38.402   2.817   1.243
   99    HD2  ARG  14           HD2      ARG  14  36.152   3.913   1.176
  100    HD3  ARG  14           HD1      ARG  14  35.968   3.305  -0.470
  101    HE   ARG  14           HE       ARG  14  36.492   1.052   0.838
  102   HH11  ARG  14          HH11      ARG  14  34.276   3.641   1.684
  103   HH12  ARG  14          HH12      ARG  14  33.191   2.590   2.531
  104   HH21  ARG  14          HH21      ARG  14  33.635   0.359   2.685
  105   HH22  ARG  14          HH22      ARG  14  35.059  -0.303   1.957
  106    H    ARG  15           HN       ARG  15  41.784   5.741  -1.499
  107    HA   ARG  15           HA       ARG  15  40.918   8.489  -1.133
  108    HB2  ARG  15           HB2      ARG  15  43.562   7.484  -0.074
  109    HB3  ARG  15           HB1      ARG  15  43.286   9.177  -0.458
  110    HG2  ARG  15           HG2      ARG  15  41.658   9.403   1.231
  111    HG3  ARG  15           HG1      ARG  15  41.518   7.653   1.441
  112    HD2  ARG  15           HD2      ARG  15  43.815   7.591   2.306
  113    HD3  ARG  15           HD1      ARG  15  43.942   9.338   2.099
  114    HE   ARG  15           HE       ARG  15  41.711   8.784   3.703
  115   HH11  ARG  15          HH11      ARG  15  45.213   8.612   3.910
  116   HH12  ARG  15          HH12      ARG  15  45.235   8.826   5.628
  117   HH21  ARG  15          HH21      ARG  15  41.766   9.063   5.951
  118   HH22  ARG  15          HH22      ARG  15  43.285   9.081   6.782
  119    H    GLY  16           HN       GLY  16  41.408   9.761  -2.840
  120    HA2  GLY  16           HA2      GLY  16  42.416  10.485  -4.798
  121    HA3  GLY  16           HA1      GLY  16  43.563   9.154  -4.665
  122    H    THR  17           HN       THR  17  40.029   9.012  -4.770
  123    HA   THR  17           HA       THR  17  38.531   7.922  -6.058
  124    HB   THR  17           HB       THR  17  38.780   8.030  -8.533
  125    HG1  THR  17           HG1      THR  17  40.962   9.693  -8.447
  126   HG21  THR  17          HG21      THR  17  39.347  10.604  -7.058
  127   HG22  THR  17          HG22      THR  17  37.759   9.880  -7.317
  128   HG23  THR  17          HG23      THR  17  38.690  10.477  -8.691
  129    H    PHE  18           HN       PHE  18  40.967   6.361  -5.059
  130    HA   PHE  18           HA       PHE  18  40.182   3.853  -6.219
  131    HB2  PHE  18           HB2      PHE  18  42.609   3.170  -6.720
  132    HB3  PHE  18           HB1      PHE  18  41.792   4.177  -7.900
  133    HD1  PHE  18           HD1      PHE  18  43.032   5.853  -8.839
  134    HD2  PHE  18           HD2      PHE  18  43.964   4.627  -4.866
  135    HE1  PHE  18           HE1      PHE  18  44.925   7.420  -8.800
  136    HE2  PHE  18           HE2      PHE  18  45.854   6.201  -4.824
  137    HZ   PHE  18           HZ       PHE  18  46.337   7.599  -6.792
  138    H    CYS  19           HN       CYS  19  40.839   2.038  -5.021
  139    HA   CYS  19           HA       CYS  19  41.644   2.683  -2.275
  140    HB2  CYS  19           HB2      CYS  19  40.409   0.138  -3.358
  141    HB3  CYS  19           HB1      CYS  19  40.664   0.539  -1.657
  142    H    PHE  20           HN       PHE  20  43.517   1.987  -1.420
  143    HA   PHE  20           HA       PHE  20  45.089   0.040  -2.954
  144    HB2  PHE  20           HB2      PHE  20  47.129   1.283  -2.493
  145    HB3  PHE  20           HB1      PHE  20  45.956   2.351  -3.265
  146    HD1  PHE  20           HD1      PHE  20  48.008   1.756  -0.372
  147    HD2  PHE  20           HD2      PHE  20  44.727   4.031  -1.850
  148    HE1  PHE  20           HE1      PHE  20  48.278   3.344   1.484
  149    HE2  PHE  20           HE2      PHE  20  44.993   5.625   0.006
  150    HZ   PHE  20           HZ       PHE  20  46.769   5.274   1.678
  151    HA   PRO  21           HA       PRO  21  45.641  -2.051   0.973
  152    HB2  PRO  21           HB2      PRO  21  48.293  -3.041   0.386
  153    HB3  PRO  21           HB1      PRO  21  46.749  -3.916   0.299
  154    HG2  PRO  21           HG2      PRO  21  48.258  -3.317  -1.882
  155    HG3  PRO  21           HG1      PRO  21  46.496  -3.520  -1.927
  156    HD2  PRO  21           HD2      PRO  21  48.101  -0.989  -1.846
  157    HD3  PRO  21           HD1      PRO  21  46.665  -1.389  -2.816
  158    H    ASP  22           HN       ASP  22  46.225  -1.539   2.943
  159    HA   ASP  22           HA       ASP  22  48.806  -0.574   3.703
  160    HB2  ASP  22           HB2      ASP  22  47.670   1.488   2.718
  161    HB3  ASP  22           HB1      ASP  22  46.530   1.390   4.057
  162    H    ASP  23           HN       ASP  23  45.368  -0.576   4.661
  163    HA   ASP  23           HA       ASP  23  46.048  -1.283   7.398
  164    HB2  ASP  23           HB2      ASP  23  44.249   0.421   6.672
  165    HB3  ASP  23           HB1      ASP  23  43.262  -0.984   6.286
  166    H    ASP  24           HN       ASP  24  45.250  -2.859   4.483
  167    HA   ASP  24           HA       ASP  24  44.670  -5.350   5.944
  168    HB2  ASP  24           HB2      ASP  24  42.735  -4.239   4.579
  169    HB3  ASP  24           HB1      ASP  24  43.596  -4.867   3.178
  170    H    TYR  25           HN       TYR  25  46.601  -6.342   5.871
  171    HA   TYR  25           HA       TYR  25  47.895  -6.680   3.245
  172    HB2  TYR  25           HB2      TYR  25  49.099  -5.366   5.156
  173    HB3  TYR  25           HB1      TYR  25  49.383  -6.962   5.842
  174    HD1  TYR  25           HD1      TYR  25  50.911  -8.523   4.771
  175    HD2  TYR  25           HD2      TYR  25  50.204  -4.674   3.101
  176    HE1  TYR  25           HE1      TYR  25  52.886  -8.791   3.331
  177    HE2  TYR  25           HE2      TYR  25  52.176  -4.932   1.655
  178    HH   TYR  25           HH       TYR  25  54.271  -6.216   1.610
  Start of MODEL   16
    1    H1   PHE   1           HT1      PHE   1  23.608   2.465 -12.473
    2    H2   PHE   1           HT2      PHE   1  22.343   1.385 -12.780
    3    H3   PHE   1           HT3      PHE   1  22.662   2.644 -13.865
    4    HA   PHE   1           HA       PHE   1  23.463   0.541 -14.719
    5    HB2  PHE   1           HB2      PHE   1  24.669   2.850 -14.984
    6    HB3  PHE   1           HB1      PHE   1  25.899   2.127 -13.953
    7    HD1  PHE   1           HD1      PHE   1  24.310   2.066 -17.241
    8    HD2  PHE   1           HD2      PHE   1  27.281   0.307 -14.753
    9    HE1  PHE   1           HE1      PHE   1  25.318   0.990 -19.212
   10    HE2  PHE   1           HE2      PHE   1  28.295  -0.771 -16.719
   11    HZ   PHE   1           HZ       PHE   1  27.312  -0.431 -18.952
   12    H    GLY   2           HN       GLY   2  24.959   1.449 -11.626
   13    HA2  GLY   2           HA2      GLY   2  24.975  -0.701 -10.156
   14    HA3  GLY   2           HA1      GLY   2  26.115  -1.240 -11.380
   15    H    VAL   3           HN       VAL   3  27.756   0.759 -11.846
   16    HA   VAL   3           HA       VAL   3  28.722   1.757  -9.261
   17    HB   VAL   3           HB       VAL   3  31.103   1.292 -10.076
   18   HG11  VAL   3          HG11      VAL   3  29.325  -1.019  -9.313
   19   HG12  VAL   3          HG12      VAL   3  30.098   0.121  -8.211
   20   HG13  VAL   3          HG13      VAL   3  31.082  -0.987  -9.168
   21   HG21  VAL   3          HG21      VAL   3  31.402  -0.645 -11.561
   22   HG22  VAL   3          HG22      VAL   3  30.618   0.696 -12.397
   23   HG23  VAL   3          HG23      VAL   3  29.663  -0.685 -11.858
   24    H    ARG   4           HN       ARG   4  29.349   3.810  -9.261
   25    HA   ARG   4           HA       ARG   4  29.405   5.242 -11.818
   26    HB2  ARG   4           HB2      ARG   4  27.954   5.842  -9.678
   27    HB3  ARG   4           HB1      ARG   4  29.430   6.667  -9.197
   28    HG2  ARG   4           HG2      ARG   4  29.370   7.989 -11.248
   29    HG3  ARG   4           HG1      ARG   4  27.898   7.151 -11.747
   30    HD2  ARG   4           HD2      ARG   4  26.741   8.011  -9.768
   31    HD3  ARG   4           HD1      ARG   4  28.213   8.847  -9.272
   32    HE   ARG   4           HE       ARG   4  27.566   9.667 -11.867
   33   HH11  ARG   4          HH11      ARG   4  25.518  11.518  -8.949
   34   HH12  ARG   4          HH12      ARG   4  26.274   9.996  -8.618
   35   HH21  ARG   4          HH21      ARG   4  26.567  11.662 -12.277
   36   HH22  ARG   4          HH22      ARG   4  25.683  12.459 -11.019
   37    H    VAL   5           HN       VAL   5  31.296   4.716  -8.886
   38    HA   VAL   5           HA       VAL   5  33.650   5.794 -10.277
   39    HB   VAL   5           HB       VAL   5  34.531   6.508  -7.986
   40   HG11  VAL   5          HG11      VAL   5  33.411   8.685  -8.114
   41   HG12  VAL   5          HG12      VAL   5  32.208   7.992  -9.200
   42   HG13  VAL   5          HG13      VAL   5  33.895   8.090  -9.703
   43   HG21  VAL   5          HG21      VAL   5  32.854   7.150  -6.307
   44   HG22  VAL   5          HG22      VAL   5  32.883   5.404  -6.558
   45   HG23  VAL   5          HG23      VAL   5  31.595   6.376  -7.271
   46    H    GLY   6           HN       GLY   6  32.433   3.568  -7.832
   47    HA2  GLY   6           HA2      GLY   6  33.546   1.273  -8.279
   48    HA3  GLY   6           HA1      GLY   6  35.006   2.139  -7.827
   49    H    THR   7           HN       THR   7  33.867  -0.172  -6.545
   50    HA   THR   7           HA       THR   7  33.543   0.928  -3.841
   51    HB   THR   7           HB       THR   7  31.928  -0.985  -3.364
   52    HG1  THR   7           HG1      THR   7  32.296  -2.127  -5.337
   53   HG21  THR   7          HG21      THR   7  31.022   1.200  -5.245
   54   HG22  THR   7          HG22      THR   7  31.185   1.340  -3.495
   55   HG23  THR   7          HG23      THR   7  29.975   0.257  -4.184
   56    H    CYS   8           HN       CYS   8  34.737  -0.054  -2.332
   57    HA   CYS   8           HA       CYS   8  35.968  -2.652  -2.970
   58    HB2  CYS   8           HB2      CYS   8  38.034  -1.857  -1.825
   59    HB3  CYS   8           HB1      CYS   8  37.661  -0.951  -3.293
   60    HA   PRO   9           HA       PRO   9  34.470  -4.078   0.979
   61    HB2  PRO   9           HB2      PRO   9  36.519  -5.732   1.781
   62    HB3  PRO   9           HB1      PRO   9  35.305  -6.177   0.561
   63    HG2  PRO   9           HG2      PRO   9  38.078  -5.151   0.175
   64    HG3  PRO   9           HG1      PRO   9  37.233  -6.468  -0.673
   65    HD2  PRO   9           HD2      PRO   9  37.491  -4.054  -1.788
   66    HD3  PRO   9           HD1      PRO   9  36.008  -5.007  -1.995
   67    H    SER  10           HN       SER  10  34.941  -4.168   3.303
   68    HA   SER  10           HA       SER  10  36.199  -1.768   4.215
   69    HB2  SER  10           HB2      SER  10  35.007  -4.069   5.776
   70    HB3  SER  10           HB1      SER  10  35.477  -2.513   6.459
   71    HG   SER  10           HG       SER  10  33.494  -2.964   4.477
   72    H    GLY  11           HN       GLY  11  37.918  -1.540   5.680
   73    HA2  GLY  11           HA2      GLY  11  39.786  -2.292   6.930
   74    HA3  GLY  11           HA1      GLY  11  39.669  -3.853   6.120
   75    H    TYR  12           HN       TYR  12  39.478  -0.949   4.246
   76    HA   TYR  12           HA       TYR  12  42.274  -1.226   3.368
   77    HB2  TYR  12           HB2      TYR  12  39.810  -1.585   1.817
   78    HB3  TYR  12           HB1      TYR  12  40.930  -0.428   1.093
   79    HD1  TYR  12           HD1      TYR  12  40.394  -3.935   1.999
   80    HD2  TYR  12           HD2      TYR  12  43.096  -1.134   0.291
   81    HE1  TYR  12           HE1      TYR  12  41.727  -5.790   1.084
   82    HE2  TYR  12           HE2      TYR  12  44.440  -2.973  -0.625
   83    HH   TYR  12           HH       TYR  12  43.332  -6.180  -0.740
   84    H    VAL  13           HN       VAL  13  42.954   0.741   1.999
   85    HA   VAL  13           HA       VAL  13  41.882   3.140   3.320
   86    HB   VAL  13           HB       VAL  13  44.000   4.293   2.512
   87   HG11  VAL  13          HG11      VAL  13  43.664   3.706   4.822
   88   HG12  VAL  13          HG12      VAL  13  45.343   3.401   4.374
   89   HG13  VAL  13          HG13      VAL  13  44.211   2.058   4.518
   90   HG21  VAL  13          HG21      VAL  13  45.915   3.047   1.908
   91   HG22  VAL  13          HG22      VAL  13  44.617   2.462   0.867
   92   HG23  VAL  13          HG23      VAL  13  45.128   1.509   2.261
   93    H    ARG  14           HN       ARG  14  40.416   4.189   2.171
   94    HA   ARG  14           HA       ARG  14  40.529   4.139  -0.760
   95    HB2  ARG  14           HB2      ARG  14  38.315   5.150   1.021
   96    HB3  ARG  14           HB1      ARG  14  38.221   4.854  -0.714
   97    HG2  ARG  14           HG2      ARG  14  38.487   2.452  -0.331
   98    HG3  ARG  14           HG1      ARG  14  38.584   2.741   1.411
   99    HD2  ARG  14           HD2      ARG  14  36.359   2.080   0.996
  100    HD3  ARG  14           HD1      ARG  14  36.301   3.828   1.213
  101    HE   ARG  14           HE       ARG  14  36.586   3.231  -1.525
  102   HH11  ARG  14          HH11      ARG  14  34.163   3.048   1.011
  103   HH12  ARG  14          HH12      ARG  14  32.834   3.186  -0.090
  104   HH21  ARG  14          HH21      ARG  14  33.213   3.390  -2.330
  105   HH22  ARG  14          HH22      ARG  14  34.830   3.410  -2.949
  106    H    ARG  15           HN       ARG  15  41.919   5.730  -1.376
  107    HA   ARG  15           HA       ARG  15  41.083   8.473  -0.909
  108    HB2  ARG  15           HB2      ARG  15  43.808   7.446  -0.100
  109    HB3  ARG  15           HB1      ARG  15  43.477   9.152  -0.378
  110    HG2  ARG  15           HG2      ARG  15  42.010   9.281   1.452
  111    HG3  ARG  15           HG1      ARG  15  41.871   7.520   1.574
  112    HD2  ARG  15           HD2      ARG  15  44.223   7.397   2.260
  113    HD3  ARG  15           HD1      ARG  15  44.359   9.151   2.128
  114    HE   ARG  15           HE       ARG  15  42.250   8.460   3.879
  115   HH11  ARG  15          HH11      ARG  15  45.759   8.555   3.774
  116   HH12  ARG  15          HH12      ARG  15  45.920   8.752   5.487
  117   HH21  ARG  15          HH21      ARG  15  42.485   8.719   6.120
  118   HH22  ARG  15          HH22      ARG  15  44.067   8.845   6.812
  119    H    GLY  16           HN       GLY  16  41.401   9.747  -2.647
  120    HA2  GLY  16           HA2      GLY  16  42.231  10.490  -4.684
  121    HA3  GLY  16           HA1      GLY  16  43.403   9.177  -4.651
  122    H    THR  17           HN       THR  17  39.926   8.792  -4.343
  123    HA   THR  17           HA       THR  17  38.334   7.691  -5.491
  124    HB   THR  17           HB       THR  17  38.248   7.848  -7.960
  125    HG1  THR  17           HG1      THR  17  40.804   9.062  -7.650
  126   HG21  THR  17          HG21      THR  17  38.091  10.292  -8.093
  127   HG22  THR  17          HG22      THR  17  38.969  10.430  -6.570
  128   HG23  THR  17          HG23      THR  17  37.376   9.677  -6.603
  129    H    PHE  18           HN       PHE  18  40.936   6.243  -4.794
  130    HA   PHE  18           HA       PHE  18  40.171   3.747  -6.059
  131    HB2  PHE  18           HB2      PHE  18  42.587   3.150  -6.568
  132    HB3  PHE  18           HB1      PHE  18  41.837   4.307  -7.650
  133    HD1  PHE  18           HD1      PHE  18  43.960   4.255  -4.557
  134    HD2  PHE  18           HD2      PHE  18  43.056   6.152  -8.262
  135    HE1  PHE  18           HE1      PHE  18  45.871   5.771  -4.245
  136    HE2  PHE  18           HE2      PHE  18  44.962   7.673  -7.948
  137    HZ   PHE  18           HZ       PHE  18  46.372   7.485  -5.940
  138    H    CYS  19           HN       CYS  19  40.672   1.914  -4.893
  139    HA   CYS  19           HA       CYS  19  41.544   2.402  -2.131
  140    HB2  CYS  19           HB2      CYS  19  40.145  -0.041  -3.246
  141    HB3  CYS  19           HB1      CYS  19  40.395   0.356  -1.545
  142    H    PHE  20           HN       PHE  20  43.489   1.729  -1.484
  143    HA   PHE  20           HA       PHE  20  44.782  -0.454  -2.960
  144    HB2  PHE  20           HB2      PHE  20  46.917   0.694  -2.915
  145    HB3  PHE  20           HB1      PHE  20  45.716   1.755  -3.647
  146    HD1  PHE  20           HD1      PHE  20  48.107   1.323  -0.998
  147    HD2  PHE  20           HD2      PHE  20  44.796   3.666  -2.288
  148    HE1  PHE  20           HE1      PHE  20  48.735   3.082   0.601
  149    HE2  PHE  20           HE2      PHE  20  45.419   5.431  -0.689
  150    HZ   PHE  20           HZ       PHE  20  47.389   5.133   0.762
  151    HA   PRO  21           HA       PRO  21  45.735  -2.100   1.100
  152    HB2  PRO  21           HB2      PRO  21  48.293  -3.230   0.380
  153    HB3  PRO  21           HB1      PRO  21  46.730  -4.059   0.526
  154    HG2  PRO  21           HG2      PRO  21  48.051  -3.734  -1.832
  155    HG3  PRO  21           HG1      PRO  21  46.291  -3.910  -1.698
  156    HD2  PRO  21           HD2      PRO  21  47.917  -1.417  -2.049
  157    HD3  PRO  21           HD1      PRO  21  46.386  -1.887  -2.823
  158    H    ASP  22           HN       ASP  22  46.503  -1.350   2.918
  159    HA   ASP  22           HA       ASP  22  49.173  -0.412   3.324
  160    HB2  ASP  22           HB2      ASP  22  48.020   1.567   2.198
  161    HB3  ASP  22           HB1      ASP  22  46.995   1.673   3.626
  162    H    ASP  23           HN       ASP  23  45.838  -0.137   4.560
  163    HA   ASP  23           HA       ASP  23  46.715  -0.538   7.298
  164    HB2  ASP  23           HB2      ASP  23  44.892   1.099   6.484
  165    HB3  ASP  23           HB1      ASP  23  43.858  -0.321   6.353
  166    H    ASP  24           HN       ASP  24  46.296  -2.595   4.814
  167    HA   ASP  24           HA       ASP  24  44.752  -4.654   6.169
  168    HB2  ASP  24           HB2      ASP  24  46.102  -4.548   3.468
  169    HB3  ASP  24           HB1      ASP  24  45.300  -5.990   4.083
  170    H    TYR  25           HN       TYR  25  48.107  -4.073   5.185
  171    HA   TYR  25           HA       TYR  25  48.960  -6.522   6.552
  172    HB2  TYR  25           HB2      TYR  25  49.707  -5.830   4.153
  173    HB3  TYR  25           HB1      TYR  25  50.788  -4.719   4.984
  174    HD1  TYR  25           HD1      TYR  25  52.676  -5.551   6.276
  175    HD2  TYR  25           HD2      TYR  25  50.065  -8.232   4.254
  176    HE1  TYR  25           HE1      TYR  25  54.321  -7.357   6.561
  177    HE2  TYR  25           HE2      TYR  25  51.702 -10.046   4.534
  178    HH   TYR  25           HH       TYR  25  54.368  -9.811   6.620
  Start of MODEL   17
    1    H1   PHE   1           HT1      PHE   1  42.962  -8.308 -15.814
    2    H2   PHE   1           HT2      PHE   1  41.776  -8.216 -14.613
    3    H3   PHE   1           HT3      PHE   1  41.976  -9.645 -15.493
    4    HA   PHE   1           HA       PHE   1  42.915  -9.848 -13.287
    5    HB2  PHE   1           HB2      PHE   1  43.937 -10.858 -15.477
    6    HB3  PHE   1           HB1      PHE   1  45.242  -9.715 -15.184
    7    HD1  PHE   1           HD1      PHE   1  43.574 -12.747 -14.006
    8    HD2  PHE   1           HD2      PHE   1  46.742  -9.991 -13.309
    9    HE1  PHE   1           HE1      PHE   1  44.610 -14.338 -12.443
   10    HE2  PHE   1           HE2      PHE   1  47.784 -11.580 -11.744
   11    HZ   PHE   1           HZ       PHE   1  46.717 -13.757 -11.310
   12    H    GLY   2           HN       GLY   2  44.400  -7.250 -15.202
   13    HA2  GLY   2           HA2      GLY   2  45.646  -6.194 -12.744
   14    HA3  GLY   2           HA1      GLY   2  46.181  -5.836 -14.380
   15    H    VAL   3           HN       VAL   3  45.327  -4.122 -12.067
   16    HA   VAL   3           HA       VAL   3  44.285  -2.141 -11.687
   17    HB   VAL   3           HB       VAL   3  43.540  -1.983 -14.619
   18   HG11  VAL   3          HG11      VAL   3  44.176   0.155 -12.584
   19   HG12  VAL   3          HG12      VAL   3  42.575  -0.256 -13.195
   20   HG13  VAL   3          HG13      VAL   3  43.781   0.434 -14.280
   21   HG21  VAL   3          HG21      VAL   3  45.909  -2.548 -14.515
   22   HG22  VAL   3          HG22      VAL   3  46.187  -1.232 -13.374
   23   HG23  VAL   3          HG23      VAL   3  45.692  -0.873 -15.029
   24    H    ARG   4           HN       ARG   4  42.502  -2.122 -10.531
   25    HA   ARG   4           HA       ARG   4  39.971  -2.997 -11.756
   26    HB2  ARG   4           HB2      ARG   4  41.042  -3.654  -9.015
   27    HB3  ARG   4           HB1      ARG   4  39.332  -3.770  -9.404
   28    HG2  ARG   4           HG2      ARG   4  39.840  -5.404 -11.151
   29    HG3  ARG   4           HG1      ARG   4  41.555  -5.287 -10.758
   30    HD2  ARG   4           HD2      ARG   4  41.089  -6.090  -8.494
   31    HD3  ARG   4           HD1      ARG   4  39.374  -6.205  -8.887
   32    HE   ARG   4           HE       ARG   4  40.792  -7.719 -10.756
   33   HH11  ARG   4          HH11      ARG   4  40.198  -9.550  -7.231
   34   HH12  ARG   4          HH12      ARG   4  40.086  -7.824  -7.317
   35   HH21  ARG   4          HH21      ARG   4  40.932  -9.977 -10.618
   36   HH22  ARG   4          HH22      ARG   4  40.677 -10.767  -9.098
   37    H    VAL   5           HN       VAL   5  38.147  -1.843 -11.228
   38    HA   VAL   5           HA       VAL   5  38.402   0.406  -9.373
   39    HB   VAL   5           HB       VAL   5  37.145   1.869 -11.056
   40   HG11  VAL   5          HG11      VAL   5  39.225   2.609 -12.125
   41   HG12  VAL   5          HG12      VAL   5  40.014   1.123 -11.596
   42   HG13  VAL   5          HG13      VAL   5  39.438   2.288 -10.404
   43   HG21  VAL   5          HG21      VAL   5  36.553   0.159 -12.701
   44   HG22  VAL   5          HG22      VAL   5  38.261  -0.147 -13.016
   45   HG23  VAL   5          HG23      VAL   5  37.553   1.413 -13.436
   46    H    GLY   6           HN       GLY   6  36.780   0.402  -7.999
   47    HA2  GLY   6           HA2      GLY   6  34.075   0.390  -8.575
   48    HA3  GLY   6           HA1      GLY   6  34.507  -1.291  -8.301
   49    H    THR   7           HN       THR   7  34.105  -1.953  -6.319
   50    HA   THR   7           HA       THR   7  34.494  -0.081  -4.073
   51    HB   THR   7           HB       THR   7  32.653  -1.391  -2.899
   52    HG1  THR   7           HG1      THR   7  32.004  -3.064  -4.027
   53   HG21  THR   7          HG21      THR   7  30.851  -0.089  -3.939
   54   HG22  THR   7          HG22      THR   7  31.898   0.259  -5.314
   55   HG23  THR   7          HG23      THR   7  32.304   0.885  -3.716
   56    H    CYS   8           HN       CYS   8  35.848  -0.748  -2.557
   57    HA   CYS   8           HA       CYS   8  36.741  -3.544  -2.584
   58    HB2  CYS   8           HB2      CYS   8  38.694  -2.668  -1.274
   59    HB3  CYS   8           HB1      CYS   8  38.541  -1.980  -2.892
   60    HA   PRO   9           HA       PRO   9  34.799  -4.481   1.320
   61    HB2  PRO   9           HB2      PRO   9  36.670  -6.129   2.481
   62    HB3  PRO   9           HB1      PRO   9  35.561  -6.647   1.192
   63    HG2  PRO   9           HG2      PRO   9  38.409  -5.789   0.997
   64    HG3  PRO   9           HG1      PRO   9  37.580  -7.144   0.194
   65    HD2  PRO   9           HD2      PRO   9  38.084  -4.858  -1.106
   66    HD3  PRO   9           HD1      PRO   9  36.588  -5.771  -1.387
   67    H    SER  10           HN       SER  10  35.054  -4.344   3.680
   68    HA   SER  10           HA       SER  10  36.131  -1.890   4.514
   69    HB2  SER  10           HB2      SER  10  35.584  -2.700   6.825
   70    HB3  SER  10           HB1      SER  10  34.250  -2.828   5.680
   71    HG   SER  10           HG       SER  10  36.005  -4.984   6.200
   72    H    GLY  11           HN       GLY  11  37.931  -1.290   5.609
   73    HA2  GLY  11           HA2      GLY  11  39.899  -1.658   6.899
   74    HA3  GLY  11           HA1      GLY  11  39.912  -3.333   6.349
   75    H    TYR  12           HN       TYR  12  39.526  -0.447   4.352
   76    HA   TYR  12           HA       TYR  12  42.189  -0.872   3.182
   77    HB2  TYR  12           HB2      TYR  12  39.546  -1.032   1.854
   78    HB3  TYR  12           HB1      TYR  12  40.779  -0.105   0.994
   79    HD1  TYR  12           HD1      TYR  12  42.808  -1.190   0.193
   80    HD2  TYR  12           HD2      TYR  12  39.736  -3.424   2.100
   81    HE1  TYR  12           HE1      TYR  12  43.803  -3.262  -0.659
   82    HE2  TYR  12           HE2      TYR  12  40.719  -5.513   1.248
   83    HH   TYR  12           HH       TYR  12  42.180  -6.248  -0.584
   84    H    VAL  13           HN       VAL  13  42.955   1.003   1.887
   85    HA   VAL  13           HA       VAL  13  42.070   3.507   3.150
   86    HB   VAL  13           HB       VAL  13  44.646   2.955   1.638
   87   HG11  VAL  13          HG11      VAL  13  45.421   5.104   2.540
   88   HG12  VAL  13          HG12      VAL  13  43.831   5.378   3.252
   89   HG13  VAL  13          HG13      VAL  13  44.013   5.313   1.499
   90   HG21  VAL  13          HG21      VAL  13  44.613   1.741   3.729
   91   HG22  VAL  13          HG22      VAL  13  44.118   3.192   4.599
   92   HG23  VAL  13          HG23      VAL  13  45.718   3.112   3.862
   93    H    ARG  14           HN       ARG  14  40.501   4.441   2.005
   94    HA   ARG  14           HA       ARG  14  40.614   4.449  -0.933
   95    HB2  ARG  14           HB2      ARG  14  38.352   5.204   0.920
   96    HB3  ARG  14           HB1      ARG  14  38.254   5.114  -0.838
   97    HG2  ARG  14           HG2      ARG  14  38.651   2.701  -0.748
   98    HG3  ARG  14           HG1      ARG  14  38.749   2.783   1.016
   99    HD2  ARG  14           HD2      ARG  14  36.557   2.058   0.527
  100    HD3  ARG  14           HD1      ARG  14  36.412   3.759   0.962
  101    HE   ARG  14           HE       ARG  14  36.701   3.492  -1.838
  102   HH11  ARG  14          HH11      ARG  14  34.314   2.993   0.690
  103   HH12  ARG  14          HH12      ARG  14  32.968   3.225  -0.375
  104   HH21  ARG  14          HH21      ARG  14  33.316   3.677  -2.584
  105   HH22  ARG  14          HH22      ARG  14  34.925   3.792  -3.214
  106    H    ARG  15           HN       ARG  15  41.925   6.137  -1.481
  107    HA   ARG  15           HA       ARG  15  40.940   8.813  -0.913
  108    HB2  ARG  15           HB2      ARG  15  43.735   7.926  -0.167
  109    HB3  ARG  15           HB1      ARG  15  43.265   9.613  -0.320
  110    HG2  ARG  15           HG2      ARG  15  41.599   7.914   1.456
  111    HG3  ARG  15           HG1      ARG  15  43.234   8.309   2.013
  112    HD2  ARG  15           HD2      ARG  15  42.751  10.700   1.692
  113    HD3  ARG  15           HD1      ARG  15  41.120  10.292   1.163
  114    HE   ARG  15           HE       ARG  15  41.396   9.137   3.641
  115   HH11  ARG  15          HH11      ARG  15  41.591  12.417   2.399
  116   HH12  ARG  15          HH12      ARG  15  41.061  13.133   3.884
  117   HH21  ARG  15          HH21      ARG  15  40.705  10.096   5.575
  118   HH22  ARG  15          HH22      ARG  15  40.561  11.819   5.680
  119    H    GLY  16           HN       GLY  16  41.105  10.104  -2.652
  120    HA2  GLY  16           HA2      GLY  16  41.876  10.971  -4.661
  121    HA3  GLY  16           HA1      GLY  16  43.190   9.796  -4.630
  122    H    THR  17           HN       THR  17  39.807   8.942  -4.345
  123    HA   THR  17           HA       THR  17  38.375   7.676  -5.528
  124    HB   THR  17           HB       THR  17  38.252   7.880  -7.987
  125    HG1  THR  17           HG1      THR  17  39.848   9.704  -8.693
  126   HG21  THR  17          HG21      THR  17  37.167   9.557  -6.586
  127   HG22  THR  17          HG22      THR  17  37.777  10.281  -8.073
  128   HG23  THR  17          HG23      THR  17  38.650  10.510  -6.558
  129    H    PHE  18           HN       PHE  18  41.139   6.594  -4.838
  130    HA   PHE  18           HA       PHE  18  40.836   4.118  -6.371
  131    HB2  PHE  18           HB2      PHE  18  43.258   3.850  -6.640
  132    HB3  PHE  18           HB1      PHE  18  42.692   5.302  -7.447
  133    HD1  PHE  18           HD1      PHE  18  43.433   7.475  -6.747
  134    HD2  PHE  18           HD2      PHE  18  44.639   3.992  -4.622
  135    HE1  PHE  18           HE1      PHE  18  45.164   8.784  -5.592
  136    HE2  PHE  18           HE2      PHE  18  46.370   5.296  -3.460
  137    HZ   PHE  18           HZ       PHE  18  46.635   7.695  -3.943
  138    H    CYS  19           HN       CYS  19  40.999   2.289  -5.216
  139    HA   CYS  19           HA       CYS  19  41.611   2.549  -2.350
  140    HB2  CYS  19           HB2      CYS  19  39.310   1.803  -2.953
  141    HB3  CYS  19           HB1      CYS  19  40.009   0.394  -3.752
  142    H    PHE  20           HN       PHE  20  43.435   1.666  -1.623
  143    HA   PHE  20           HA       PHE  20  44.579  -0.608  -3.081
  144    HB2  PHE  20           HB2      PHE  20  46.823   0.315  -2.888
  145    HB3  PHE  20           HB1      PHE  20  45.777   1.485  -3.691
  146    HD1  PHE  20           HD1      PHE  20  44.931   3.462  -2.365
  147    HD2  PHE  20           HD2      PHE  20  47.958   0.845  -0.913
  148    HE1  PHE  20           HE1      PHE  20  45.602   5.159  -0.712
  149    HE2  PHE  20           HE2      PHE  20  48.634   2.539   0.738
  150    HZ   PHE  20           HZ       PHE  20  47.452   4.691   0.845
  151    HA   PRO  21           HA       PRO  21  45.147  -2.375   1.005
  152    HB2  PRO  21           HB2      PRO  21  47.532  -3.859   0.360
  153    HB3  PRO  21           HB1      PRO  21  45.861  -4.453   0.433
  154    HG2  PRO  21           HG2      PRO  21  47.323  -4.293  -1.865
  155    HG3  PRO  21           HG1      PRO  21  45.551  -4.247  -1.804
  156    HD2  PRO  21           HD2      PRO  21  47.490  -1.982  -2.077
  157    HD3  PRO  21           HD1      PRO  21  45.936  -2.248  -2.899
  158    H    ASP  22           HN       ASP  22  45.978  -1.775   2.857
  159    HA   ASP  22           HA       ASP  22  48.743  -1.180   3.298
  160    HB2  ASP  22           HB2      ASP  22  47.853   0.934   2.195
  161    HB3  ASP  22           HB1      ASP  22  46.820   1.140   3.607
  162    H    ASP  23           HN       ASP  23  45.456  -0.535   4.540
  163    HA   ASP  23           HA       ASP  23  46.280  -1.015   7.276
  164    HB2  ASP  23           HB2      ASP  23  44.588   0.756   6.433
  165    HB3  ASP  23           HB1      ASP  23  43.446  -0.581   6.352
  166    H    ASP  24           HN       ASP  24  45.348  -2.966   4.711
  167    HA   ASP  24           HA       ASP  24  43.970  -4.935   6.382
  168    HB2  ASP  24           HB2      ASP  24  43.662  -6.172   4.189
  169    HB3  ASP  24           HB1      ASP  24  42.851  -4.617   4.309
  170    H    TYR  25           HN       TYR  25  46.822  -4.716   4.263
  171    HA   TYR  25           HA       TYR  25  48.066  -6.876   5.814
  172    HB2  TYR  25           HB2      TYR  25  47.910  -6.679   2.806
  173    HB3  TYR  25           HB1      TYR  25  49.123  -7.658   3.623
  174    HD1  TYR  25           HD1      TYR  25  48.492  -9.690   4.810
  175    HD2  TYR  25           HD2      TYR  25  45.575  -7.338   2.794
  176    HE1  TYR  25           HE1      TYR  25  46.895 -11.554   4.958
  177    HE2  TYR  25           HE2      TYR  25  43.970  -9.196   2.935
  178    HH   TYR  25           HH       TYR  25  44.007 -11.647   3.187
  Start of MODEL   18
    1    H1   PHE   1           HT1      PHE   1  21.744   5.351 -14.612
    2    H2   PHE   1           HT2      PHE   1  22.475   4.204 -13.607
    3    H3   PHE   1           HT3      PHE   1  23.017   4.404 -15.197
    4    HA   PHE   1           HA       PHE   1  24.537   5.420 -13.633
    5    HB2  PHE   1           HB2      PHE   1  22.974   7.310 -15.403
    6    HB3  PHE   1           HB1      PHE   1  24.491   7.746 -14.622
    7    HD1  PHE   1           HD1      PHE   1  26.590   6.800 -15.365
    8    HD2  PHE   1           HD2      PHE   1  22.922   5.755 -17.252
    9    HE1  PHE   1           HE1      PHE   1  27.840   5.847 -17.258
   10    HE2  PHE   1           HE2      PHE   1  24.165   4.799 -19.148
   11    HZ   PHE   1           HZ       PHE   1  26.627   4.844 -19.152
   12    H    GLY   2           HN       GLY   2  24.964   6.889 -11.986
   13    HA2  GLY   2           HA2      GLY   2  23.278   8.766 -10.858
   14    HA3  GLY   2           HA1      GLY   2  22.867   7.243 -10.084
   15    H    VAL   3           HN       VAL   3  23.621   7.642  -8.064
   16    HA   VAL   3           HA       VAL   3  26.532   7.937  -7.796
   17    HB   VAL   3           HB       VAL   3  26.080   9.243  -5.639
   18   HG11  VAL   3          HG11      VAL   3  25.969  11.382  -6.837
   19   HG12  VAL   3          HG12      VAL   3  25.492  10.524  -8.303
   20   HG13  VAL   3          HG13      VAL   3  27.085  10.247  -7.598
   21   HG21  VAL   3          HG21      VAL   3  24.030  10.603  -5.590
   22   HG22  VAL   3          HG22      VAL   3  23.673   8.882  -5.450
   23   HG23  VAL   3          HG23      VAL   3  23.411   9.714  -6.982
   24    H    ARG   4           HN       ARG   4  27.408   6.315  -6.745
   25    HA   ARG   4           HA       ARG   4  25.862   4.940  -4.648
   26    HB2  ARG   4           HB2      ARG   4  27.480   3.710  -6.876
   27    HB3  ARG   4           HB1      ARG   4  27.081   2.825  -5.410
   28    HG2  ARG   4           HG2      ARG   4  24.698   3.120  -5.878
   29    HG3  ARG   4           HG1      ARG   4  25.100   4.009  -7.349
   30    HD2  ARG   4           HD2      ARG   4  24.617   1.812  -8.049
   31    HD3  ARG   4           HD1      ARG   4  26.374   1.943  -8.080
   32    HE   ARG   4           HE       ARG   4  25.593   0.928  -5.585
   33   HH11  ARG   4          HH11      ARG   4  25.808  -1.779  -8.544
   34   HH12  ARG   4          HH12      ARG   4  25.666  -0.100  -8.943
   35   HH21  ARG   4          HH21      ARG   4  25.780  -1.274  -5.088
   36   HH22  ARG   4          HH22      ARG   4  25.873  -2.443  -6.363
   37    H    VAL   5           HN       VAL   5  27.052   4.064  -2.932
   38    HA   VAL   5           HA       VAL   5  29.886   4.828  -2.788
   39    HB   VAL   5           HB       VAL   5  29.506   5.338  -0.312
   40   HG11  VAL   5          HG11      VAL   5  28.344   7.191  -2.386
   41   HG12  VAL   5          HG12      VAL   5  30.045   7.049  -1.943
   42   HG13  VAL   5          HG13      VAL   5  28.876   7.662  -0.771
   43   HG21  VAL   5          HG21      VAL   5  27.280   6.172   0.319
   44   HG22  VAL   5          HG22      VAL   5  27.242   4.451  -0.062
   45   HG23  VAL   5          HG23      VAL   5  26.638   5.626  -1.230
   46    H    GLY   6           HN       GLY   6  31.200   3.259  -2.170
   47    HA2  GLY   6           HA2      GLY   6  31.776   1.504  -0.592
   48    HA3  GLY   6           HA1      GLY   6  30.100   0.991  -0.636
   49    H    THR   7           HN       THR   7  32.960   1.348  -2.683
   50    HA   THR   7           HA       THR   7  32.016  -0.853  -4.381
   51    HB   THR   7           HB       THR   7  33.933  -0.140  -5.896
   52    HG1  THR   7           HG1      THR   7  34.110   2.377  -5.204
   53   HG21  THR   7          HG21      THR   7  32.681   1.737  -6.854
   54   HG22  THR   7          HG22      THR   7  31.727   1.858  -5.376
   55   HG23  THR   7          HG23      THR   7  31.603   0.420  -6.390
   56    H    CYS   8           HN       CYS   8  34.841   0.231  -2.547
   57    HA   CYS   8           HA       CYS   8  36.214  -2.296  -2.931
   58    HB2  CYS   8           HB2      CYS   8  36.968   0.240  -1.462
   59    HB3  CYS   8           HB1      CYS   8  38.008  -1.174  -1.605
   60    HA   PRO   9           HA       PRO   9  34.860  -4.209   0.869
   61    HB2  PRO   9           HB2      PRO   9  37.119  -5.569   1.638
   62    HB3  PRO   9           HB1      PRO   9  36.046  -6.106   0.328
   63    HG2  PRO   9           HG2      PRO   9  38.627  -4.622   0.163
   64    HG3  PRO   9           HG1      PRO   9  38.042  -5.982  -0.823
   65    HD2  PRO   9           HD2      PRO   9  37.948  -3.458  -1.726
   66    HD3  PRO   9           HD1      PRO   9  36.673  -4.632  -2.113
   67    H    SER  10           HN       SER  10  35.279  -4.371   3.202
   68    HA   SER  10           HA       SER  10  36.161  -1.864   4.286
   69    HB2  SER  10           HB2      SER  10  34.186  -3.169   5.135
   70    HB3  SER  10           HB1      SER  10  35.318  -4.344   5.800
   71    HG   SER  10           HG       SER  10  34.840  -2.899   7.413
   72    H    GLY  11           HN       GLY  11  37.924  -1.396   5.500
   73    HA2  GLY  11           HA2      GLY  11  39.844  -1.877   6.808
   74    HA3  GLY  11           HA1      GLY  11  39.826  -3.525   6.183
   75    H    TYR  12           HN       TYR  12  39.560  -0.621   4.219
   76    HA   TYR  12           HA       TYR  12  42.288  -1.017   3.197
   77    HB2  TYR  12           HB2      TYR  12  39.739  -1.276   1.748
   78    HB3  TYR  12           HB1      TYR  12  40.906  -0.209   0.961
   79    HD1  TYR  12           HD1      TYR  12  40.080  -3.643   1.812
   80    HD2  TYR  12           HD2      TYR  12  43.099  -1.084   0.259
   81    HE1  TYR  12           HE1      TYR  12  41.259  -5.600   0.898
   82    HE2  TYR  12           HE2      TYR  12  44.289  -3.026  -0.655
   83    HH   TYR  12           HH       TYR  12  42.881  -6.108  -0.879
   84    H    VAL  13           HN       VAL  13  43.014   0.890   1.823
   85    HA   VAL  13           HA       VAL  13  42.142   3.368   3.142
   86    HB   VAL  13           HB       VAL  13  44.654   2.891   1.504
   87   HG11  VAL  13          HG11      VAL  13  45.440   5.017   2.447
   88   HG12  VAL  13          HG12      VAL  13  43.884   5.237   3.245
   89   HG13  VAL  13          HG13      VAL  13  43.979   5.240   1.485
   90   HG21  VAL  13          HG21      VAL  13  44.860   1.603   3.487
   91   HG22  VAL  13          HG22      VAL  13  44.205   2.906   4.480
   92   HG23  VAL  13          HG23      VAL  13  45.796   3.077   3.739
   93    H    ARG  14           HN       ARG  14  40.522   4.299   2.067
   94    HA   ARG  14           HA       ARG  14  40.467   4.276  -0.869
   95    HB2  ARG  14           HB2      ARG  14  38.337   5.192   1.066
   96    HB3  ARG  14           HB1      ARG  14  38.142   4.945  -0.668
   97    HG2  ARG  14           HG2      ARG  14  38.497   2.540  -0.374
   98    HG3  ARG  14           HG1      ARG  14  38.686   2.782   1.366
   99    HD2  ARG  14           HD2      ARG  14  36.213   3.601  -0.143
  100    HD3  ARG  14           HD1      ARG  14  36.408   2.001   0.571
  101    HE   ARG  14           HE       ARG  14  36.935   3.897   2.552
  102   HH11  ARG  14          HH11      ARG  14  34.185   2.808   0.657
  103   HH12  ARG  14          HH12      ARG  14  33.030   3.233   1.876
  104   HH21  ARG  14          HH21      ARG  14  33.722   4.158   3.843
  105   HH22  ARG  14          HH22      ARG  14  35.406   4.446   4.133
  106    H    ARG  15           HN       ARG  15  41.778   5.920  -1.546
  107    HA   ARG  15           HA       ARG  15  40.894   8.632  -0.983
  108    HB2  ARG  15           HB2      ARG  15  43.693   7.677  -0.360
  109    HB3  ARG  15           HB1      ARG  15  43.289   9.376  -0.573
  110    HG2  ARG  15           HG2      ARG  15  41.944   9.414   1.349
  111    HG3  ARG  15           HG1      ARG  15  41.853   7.650   1.430
  112    HD2  ARG  15           HD2      ARG  15  44.246   7.565   1.965
  113    HD3  ARG  15           HD1      ARG  15  44.335   9.325   1.873
  114    HE   ARG  15           HE       ARG  15  42.358   8.666   3.726
  115   HH11  ARG  15          HH11      ARG  15  45.845   8.366   3.431
  116   HH12  ARG  15          HH12      ARG  15  46.109   8.417   5.141
  117   HH21  ARG  15          HH21      ARG  15  42.728   8.732   5.962
  118   HH22  ARG  15          HH22      ARG  15  44.345   8.625   6.573
  119    H    GLY  16           HN       GLY  16  40.981   9.884  -2.752
  120    HA2  GLY  16           HA2      GLY  16  41.653  10.700  -4.817
  121    HA3  GLY  16           HA1      GLY  16  42.938   9.496  -4.843
  122    H    THR  17           HN       THR  17  39.623   8.566  -4.301
  123    HA   THR  17           HA       THR  17  38.066   7.406  -5.473
  124    HB   THR  17           HB       THR  17  39.368   7.893  -8.131
  125    HG1  THR  17           HG1      THR  17  37.787   9.961  -7.565
  126   HG21  THR  17          HG21      THR  17  37.252   6.660  -8.027
  127   HG22  THR  17          HG22      THR  17  37.037   8.212  -8.839
  128   HG23  THR  17          HG23      THR  17  36.502   8.008  -7.170
  129    H    PHE  18           HN       PHE  18  40.816   6.298  -4.723
  130    HA   PHE  18           HA       PHE  18  40.437   3.713  -6.026
  131    HB2  PHE  18           HB2      PHE  18  42.871   3.413  -6.398
  132    HB3  PHE  18           HB1      PHE  18  42.193   4.705  -7.377
  133    HD1  PHE  18           HD1      PHE  18  42.899   6.978  -7.084
  134    HD2  PHE  18           HD2      PHE  18  44.373   3.914  -4.527
  135    HE1  PHE  18           HE1      PHE  18  44.647   8.504  -6.270
  136    HE2  PHE  18           HE2      PHE  18  46.123   5.436  -3.706
  137    HZ   PHE  18           HZ       PHE  18  46.262   7.734  -4.577
  138    H    CYS  19           HN       CYS  19  41.234   1.921  -4.853
  139    HA   CYS  19           HA       CYS  19  41.915   2.495  -2.044
  140    HB2  CYS  19           HB2      CYS  19  40.660   0.463  -1.412
  141    HB3  CYS  19           HB1      CYS  19  39.625   1.664  -2.187
  142    H    PHE  20           HN       PHE  20  43.833   1.760  -1.455
  143    HA   PHE  20           HA       PHE  20  44.960  -0.546  -2.888
  144    HB2  PHE  20           HB2      PHE  20  47.174   0.448  -2.731
  145    HB3  PHE  20           HB1      PHE  20  46.076   1.600  -3.489
  146    HD1  PHE  20           HD1      PHE  20  45.224   3.540  -2.131
  147    HD2  PHE  20           HD2      PHE  20  48.315   0.960  -0.748
  148    HE1  PHE  20           HE1      PHE  20  45.880   5.223  -0.460
  149    HE2  PHE  20           HE2      PHE  20  48.976   2.640   0.921
  150    HZ   PHE  20           HZ       PHE  20  47.754   4.766   1.071
  151    HA   PRO  21           HA       PRO  21  45.627  -2.368   1.153
  152    HB2  PRO  21           HB2      PRO  21  48.128  -3.659   0.458
  153    HB3  PRO  21           HB1      PRO  21  46.514  -4.386   0.593
  154    HG2  PRO  21           HG2      PRO  21  47.844  -4.150  -1.758
  155    HG3  PRO  21           HG1      PRO  21  46.074  -4.158  -1.628
  156    HD2  PRO  21           HD2      PRO  21  47.930  -1.825  -1.941
  157    HD3  PRO  21           HD1      PRO  21  46.374  -2.148  -2.739
  158    H    ASP  22           HN       ASP  22  46.411  -1.769   3.024
  159    HA   ASP  22           HA       ASP  22  49.111  -1.035   3.552
  160    HB2  ASP  22           HB2      ASP  22  48.167   1.045   2.392
  161    HB3  ASP  22           HB1      ASP  22  47.131   1.240   3.802
  162    H    ASP  23           HN       ASP  23  45.751  -0.524   4.634
  163    HA   ASP  23           HA       ASP  23  46.455  -0.907   7.416
  164    HB2  ASP  23           HB2      ASP  23  44.721   0.751   6.502
  165    HB3  ASP  23           HB1      ASP  23  43.669  -0.641   6.280
  166    H    ASP  24           HN       ASP  24  45.480  -2.863   4.780
  167    HA   ASP  24           HA       ASP  24  44.567  -4.998   6.582
  168    HB2  ASP  24           HB2      ASP  24  43.693  -6.089   4.470
  169    HB3  ASP  24           HB1      ASP  24  42.894  -4.593   4.934
  170    H    TYR  25           HN       TYR  25  46.430  -5.893   7.283
  171    HA   TYR  25           HA       TYR  25  48.185  -7.105   5.250
  172    HB2  TYR  25           HB2      TYR  25  49.106  -5.154   6.723
  173    HB3  TYR  25           HB1      TYR  25  49.178  -6.371   7.992
  174    HD1  TYR  25           HD1      TYR  25  50.764  -8.220   7.855
  175    HD2  TYR  25           HD2      TYR  25  50.608  -5.243   4.820
  176    HE1  TYR  25           HE1      TYR  25  52.944  -8.978   7.006
  177    HE2  TYR  25           HE2      TYR  25  52.786  -5.992   3.962
  178    HH   TYR  25           HH       TYR  25  54.228  -8.911   4.910
  Start of MODEL   19
    1    H1   PHE   1           HT1      PHE   1  28.661  15.259 -12.885
    2    H2   PHE   1           HT2      PHE   1  27.701  16.623 -13.166
    3    H3   PHE   1           HT3      PHE   1  28.067  15.570 -14.440
    4    HA   PHE   1           HA       PHE   1  26.446  14.895 -12.054
    5    HB2  PHE   1           HB2      PHE   1  25.529  16.478 -13.938
    6    HB3  PHE   1           HB1      PHE   1  25.415  14.992 -14.874
    7    HD1  PHE   1           HD1      PHE   1  24.072  16.891 -12.068
    8    HD2  PHE   1           HD2      PHE   1  23.835  13.250 -14.258
    9    HE1  PHE   1           HE1      PHE   1  21.900  16.405 -11.017
   10    HE2  PHE   1           HE2      PHE   1  21.663  12.757 -13.212
   11    HZ   PHE   1           HZ       PHE   1  20.693  14.336 -11.590
   12    H    GLY   2           HN       GLY   2  25.916  12.778 -11.812
   13    HA2  GLY   2           HA2      GLY   2  25.549  10.653 -13.219
   14    HA3  GLY   2           HA1      GLY   2  27.242  10.879 -13.633
   15    H    VAL   3           HN       VAL   3  26.153   8.579 -12.401
   16    HA   VAL   3           HA       VAL   3  27.625   8.627  -9.859
   17    HB   VAL   3           HB       VAL   3  25.952   6.895  -8.991
   18   HG11  VAL   3          HG11      VAL   3  24.429   8.635  -8.156
   19   HG12  VAL   3          HG12      VAL   3  25.091   9.760  -9.342
   20   HG13  VAL   3          HG13      VAL   3  26.123   9.117  -8.064
   21   HG21  VAL   3          HG21      VAL   3  24.749   6.435 -11.070
   22   HG22  VAL   3          HG22      VAL   3  24.210   8.113 -11.144
   23   HG23  VAL   3          HG23      VAL   3  23.651   7.065  -9.841
   24    H    ARG   4           HN       ARG   4  29.106   7.097  -9.651
   25    HA   ARG   4           HA       ARG   4  29.163   4.923 -11.630
   26    HB2  ARG   4           HB2      ARG   4  31.348   6.273 -10.051
   27    HB3  ARG   4           HB1      ARG   4  31.608   4.754 -10.895
   28    HG2  ARG   4           HG2      ARG   4  30.998   5.837 -13.012
   29    HG3  ARG   4           HG1      ARG   4  30.770   7.361 -12.154
   30    HD2  ARG   4           HD2      ARG   4  33.367   5.841 -12.106
   31    HD3  ARG   4           HD1      ARG   4  32.992   7.041 -13.343
   32    HE   ARG   4           HE       ARG   4  32.582   8.181 -10.807
   33   HH11  ARG   4          HH11      ARG   4  36.371   8.220 -12.138
   34   HH12  ARG   4          HH12      ARG   4  35.241   7.108 -12.834
   35   HH21  ARG   4          HH21      ARG   4  34.077   9.630  -9.912
   36   HH22  ARG   4          HH22      ARG   4  35.712   9.645 -10.485
   37    H    VAL   5           HN       VAL   5  29.787   2.805 -10.977
   38    HA   VAL   5           HA       VAL   5  29.242   2.226  -8.141
   39    HB   VAL   5           HB       VAL   5  28.446  -0.061  -8.938
   40   HG11  VAL   5          HG11      VAL   5  26.938   1.621  -8.063
   41   HG12  VAL   5          HG12      VAL   5  26.179   0.747  -9.393
   42   HG13  VAL   5          HG13      VAL   5  26.817   2.370  -9.653
   43   HG21  VAL   5          HG21      VAL   5  29.320   0.172 -11.284
   44   HG22  VAL   5          HG22      VAL   5  28.028   1.335 -11.585
   45   HG23  VAL   5          HG23      VAL   5  27.634  -0.333 -11.170
   46    H    GLY   6           HN       GLY   6  30.658   1.043  -7.029
   47    HA2  GLY   6           HA2      GLY   6  32.233  -1.021  -7.555
   48    HA3  GLY   6           HA1      GLY   6  33.129   0.254  -8.370
   49    H    THR   7           HN       THR   7  32.111  -1.044  -5.305
   50    HA   THR   7           HA       THR   7  33.840   0.874  -3.887
   51    HB   THR   7           HB       THR   7  32.641   0.011  -1.811
   52    HG1  THR   7           HG1      THR   7  31.701  -1.851  -2.752
   53   HG21  THR   7          HG21      THR   7  30.687   1.452  -2.157
   54   HG22  THR   7          HG22      THR   7  31.000   1.462  -3.892
   55   HG23  THR   7          HG23      THR   7  32.155   2.202  -2.782
   56    H    CYS   8           HN       CYS   8  35.228   0.111  -2.227
   57    HA   CYS   8           HA       CYS   8  36.254  -2.584  -2.744
   58    HB2  CYS   8           HB2      CYS   8  38.268  -1.745  -1.466
   59    HB3  CYS   8           HB1      CYS   8  37.934  -0.905  -2.981
   60    HA   PRO   9           HA       PRO   9  34.825  -4.274   1.124
   61    HB2  PRO   9           HB2      PRO   9  36.954  -5.855   1.864
   62    HB3  PRO   9           HB1      PRO   9  35.772  -6.306   0.617
   63    HG2  PRO   9           HG2      PRO   9  38.488  -5.119   0.297
   64    HG3  PRO   9           HG1      PRO   9  37.716  -6.436  -0.618
   65    HD2  PRO   9           HD2      PRO   9  37.852  -3.963  -1.620
   66    HD3  PRO   9           HD1      PRO   9  36.421  -4.981  -1.877
   67    H    SER  10           HN       SER  10  35.289  -4.448   3.447
   68    HA   SER  10           HA       SER  10  36.351  -2.026   4.497
   69    HB2  SER  10           HB2      SER  10  35.826  -3.073   6.721
   70    HB3  SER  10           HB1      SER  10  34.469  -3.041   5.596
   71    HG   SER  10           HG       SER  10  36.125  -5.243   6.261
   72    H    GLY  11           HN       GLY  11  38.154  -1.618   5.710
   73    HA2  GLY  11           HA2      GLY  11  40.139  -2.177   6.888
   74    HA3  GLY  11           HA1      GLY  11  40.108  -3.769   6.133
   75    H    TYR  12           HN       TYR  12  39.656  -0.787   4.353
   76    HA   TYR  12           HA       TYR  12  42.369  -0.958   3.236
   77    HB2  TYR  12           HB2      TYR  12  39.801  -1.349   1.834
   78    HB3  TYR  12           HB1      TYR  12  40.913  -0.228   1.044
   79    HD1  TYR  12           HD1      TYR  12  42.992  -0.993   0.112
   80    HD2  TYR  12           HD2      TYR  12  40.374  -3.711   2.071
   81    HE1  TYR  12           HE1      TYR  12  44.254  -2.878  -0.834
   82    HE2  TYR  12           HE2      TYR  12  41.625  -5.608   1.126
   83    HH   TYR  12           HH       TYR  12  43.103  -6.073  -0.780
   84    H    VAL  13           HN       VAL  13  43.014   1.016   2.045
   85    HA   VAL  13           HA       VAL  13  41.852   3.397   3.323
   86    HB   VAL  13           HB       VAL  13  44.505   3.195   1.859
   87   HG11  VAL  13          HG11      VAL  13  43.635   5.472   1.920
   88   HG12  VAL  13          HG12      VAL  13  45.034   5.317   2.983
   89   HG13  VAL  13          HG13      VAL  13  43.409   5.355   3.666
   90   HG21  VAL  13          HG21      VAL  13  43.971   3.152   4.829
   91   HG22  VAL  13          HG22      VAL  13  45.560   3.200   4.066
   92   HG23  VAL  13          HG23      VAL  13  44.523   1.788   3.856
   93    H    ARG  14           HN       ARG  14  40.399   4.471   2.154
   94    HA   ARG  14           HA       ARG  14  40.451   4.300  -0.776
   95    HB2  ARG  14           HB2      ARG  14  38.284   5.436   0.988
   96    HB3  ARG  14           HB1      ARG  14  38.159   5.041  -0.726
   97    HG2  ARG  14           HG2      ARG  14  38.367   2.667  -0.217
   98    HG3  ARG  14           HG1      ARG  14  38.534   3.044   1.505
   99    HD2  ARG  14           HD2      ARG  14  36.295   4.054   1.482
  100    HD3  ARG  14           HD1      ARG  14  36.131   3.636  -0.223
  101    HE   ARG  14           HE       ARG  14  36.709   1.277   1.086
  102   HH11  ARG  14          HH11      ARG  14  34.129   3.658   1.226
  103   HH12  ARG  14          HH12      ARG  14  32.937   2.504   1.725
  104   HH21  ARG  14          HH21      ARG  14  33.506   0.315   2.017
  105   HH22  ARG  14          HH22      ARG  14  35.132  -0.215   1.740
  106    H    ARG  15           HN       ARG  15  41.864   5.836  -1.477
  107    HA   ARG  15           HA       ARG  15  41.086   8.612  -1.132
  108    HB2  ARG  15           HB2      ARG  15  43.799   7.584  -0.276
  109    HB3  ARG  15           HB1      ARG  15  43.490   9.278  -0.635
  110    HG2  ARG  15           HG2      ARG  15  41.692   7.938   1.321
  111    HG3  ARG  15           HG1      ARG  15  43.347   8.304   1.834
  112    HD2  ARG  15           HD2      ARG  15  41.533  10.359   0.586
  113    HD3  ARG  15           HD1      ARG  15  41.589  10.070   2.323
  114    HE   ARG  15           HE       ARG  15  44.201  10.509   1.406
  115   HH11  ARG  15          HH11      ARG  15  41.224  12.323   1.842
  116   HH12  ARG  15          HH12      ARG  15  42.043  13.832   2.074
  117   HH21  ARG  15          HH21      ARG  15  45.250  12.497   1.712
  118   HH22  ARG  15          HH22      ARG  15  44.321  13.928   2.001
  119    H    GLY  16           HN       GLY  16  41.439   9.803  -2.925
  120    HA2  GLY  16           HA2      GLY  16  42.299  10.439  -4.982
  121    HA3  GLY  16           HA1      GLY  16  43.443   9.104  -4.885
  122    H    THR  17           HN       THR  17  39.917   8.963  -4.688
  123    HA   THR  17           HA       THR  17  38.313   7.844  -5.810
  124    HB   THR  17           HB       THR  17  38.356   7.855  -8.302
  125    HG1  THR  17           HG1      THR  17  40.645   9.461  -8.285
  126   HG21  THR  17          HG21      THR  17  39.046  10.484  -6.984
  127   HG22  THR  17          HG22      THR  17  37.442   9.754  -7.071
  128   HG23  THR  17          HG23      THR  17  38.248  10.292  -8.544
  129    H    PHE  18           HN       PHE  18  40.815   6.303  -4.959
  130    HA   PHE  18           HA       PHE  18  39.927   3.763  -5.982
  131    HB2  PHE  18           HB2      PHE  18  42.313   3.041  -6.600
  132    HB3  PHE  18           HB1      PHE  18  41.441   4.025  -7.760
  133    HD1  PHE  18           HD1      PHE  18  43.790   4.526  -4.870
  134    HD2  PHE  18           HD2      PHE  18  42.642   5.664  -8.812
  135    HE1  PHE  18           HE1      PHE  18  45.700   6.071  -4.980
  136    HE2  PHE  18           HE2      PHE  18  44.546   7.212  -8.921
  137    HZ   PHE  18           HZ       PHE  18  46.079   7.418  -7.006
  138    H    CYS  19           HN       CYS  19  40.600   1.986  -4.753
  139    HA   CYS  19           HA       CYS  19  41.592   2.708  -2.087
  140    HB2  CYS  19           HB2      CYS  19  40.293   0.114  -2.945
  141    HB3  CYS  19           HB1      CYS  19  40.565   0.678  -1.295
  142    H    PHE  20           HN       PHE  20  43.540   2.070  -1.389
  143    HA   PHE  20           HA       PHE  20  44.962   0.029  -2.950
  144    HB2  PHE  20           HB2      PHE  20  47.055   1.202  -2.555
  145    HB3  PHE  20           HB1      PHE  20  45.889   2.316  -3.269
  146    HD1  PHE  20           HD1      PHE  20  44.811   4.049  -1.832
  147    HD2  PHE  20           HD2      PHE  20  47.987   1.589  -0.427
  148    HE1  PHE  20           HE1      PHE  20  45.197   5.611   0.030
  149    HE2  PHE  20           HE2      PHE  20  48.377   3.146   1.433
  150    HZ   PHE  20           HZ       PHE  20  46.979   5.152   1.667
  151    HA   PRO  21           HA       PRO  21  45.570  -2.132   0.924
  152    HB2  PRO  21           HB2      PRO  21  48.179  -3.184   0.236
  153    HB3  PRO  21           HB1      PRO  21  46.612  -4.019   0.206
  154    HG2  PRO  21           HG2      PRO  21  48.039  -3.451  -2.030
  155    HG3  PRO  21           HG1      PRO  21  46.269  -3.585  -2.002
  156    HD2  PRO  21           HD2      PRO  21  47.973  -1.118  -1.959
  157    HD3  PRO  21           HD1      PRO  21  46.491  -1.453  -2.882
  158    H    ASP  22           HN       ASP  22  46.241  -1.723   2.885
  159    HA   ASP  22           HA       ASP  22  48.851  -0.880   3.629
  160    HB2  ASP  22           HB2      ASP  22  47.799   1.259   2.665
  161    HB3  ASP  22           HB1      ASP  22  46.723   1.224   4.059
  162    H    ASP  23           HN       ASP  23  45.419  -0.713   4.592
  163    HA   ASP  23           HA       ASP  23  46.134  -1.699   7.263
  164    HB2  ASP  23           HB2      ASP  23  44.844   0.510   6.898
  165    HB3  ASP  23           HB1      ASP  23  43.473  -0.510   6.480
  166    H    ASP  24           HN       ASP  24  45.568  -3.156   4.545
  167    HA   ASP  24           HA       ASP  24  43.236  -4.742   5.102
  168    HB2  ASP  24           HB2      ASP  24  43.961  -6.062   3.088
  169    HB3  ASP  24           HB1      ASP  24  43.725  -4.346   2.792
  170    H    TYR  25           HN       TYR  25  43.398  -5.898   6.934
  171    HA   TYR  25           HA       TYR  25  45.734  -7.597   7.395
  172    HB2  TYR  25           HB2      TYR  25  43.398  -6.831   9.152
  173    HB3  TYR  25           HB1      TYR  25  44.593  -8.035   9.621
  174    HD1  TYR  25           HD1      TYR  25  43.936  -4.478   9.130
  175    HD2  TYR  25           HD2      TYR  25  46.891  -7.368  10.141
  176    HE1  TYR  25           HE1      TYR  25  45.374  -2.689  10.015
  177    HE2  TYR  25           HE2      TYR  25  48.337  -5.587  11.028
  178    HH   TYR  25           HH       TYR  25  48.650  -3.167  10.766
  Start of MODEL   20
    1    H1   PHE   1           HT1      PHE   1  25.335   3.586  13.033
    2    H2   PHE   1           HT2      PHE   1  23.972   4.403  12.454
    3    H3   PHE   1           HT3      PHE   1  25.511   5.074  12.246
    4    HA   PHE   1           HA       PHE   1  24.698   4.121  10.191
    5    HB2  PHE   1           HB2      PHE   1  27.023   2.698  11.503
    6    HB3  PHE   1           HB1      PHE   1  26.635   2.544   9.793
    7    HD1  PHE   1           HD1      PHE   1  27.941   4.748  12.398
    8    HD2  PHE   1           HD2      PHE   1  27.010   4.379   8.261
    9    HE1  PHE   1           HE1      PHE   1  29.268   6.765  11.923
   10    HE2  PHE   1           HE2      PHE   1  28.336   6.395   7.779
   11    HZ   PHE   1           HZ       PHE   1  29.467   7.591   9.611
   12    H    GLY   2           HN       GLY   2  23.734   2.489   9.075
   13    HA2  GLY   2           HA2      GLY   2  22.766   0.213  10.687
   14    HA3  GLY   2           HA1      GLY   2  21.908   0.909   9.321
   15    H    VAL   3           HN       VAL   3  22.674   0.507   7.196
   16    HA   VAL   3           HA       VAL   3  24.691  -1.593   6.901
   17    HB   VAL   3           HB       VAL   3  23.185  -2.729   5.172
   18   HG11  VAL   3          HG11      VAL   3  23.772  -3.758   7.283
   19   HG12  VAL   3          HG12      VAL   3  22.095  -4.117   6.875
   20   HG13  VAL   3          HG13      VAL   3  22.465  -2.895   8.092
   21   HG21  VAL   3          HG21      VAL   3  21.024  -1.261   6.698
   22   HG22  VAL   3          HG22      VAL   3  20.759  -2.567   5.543
   23   HG23  VAL   3          HG23      VAL   3  21.433  -1.031   4.998
   24    H    ARG   4           HN       ARG   4  26.126  -1.012   5.449
   25    HA   ARG   4           HA       ARG   4  25.275   0.600   3.136
   26    HB2  ARG   4           HB2      ARG   4  27.682   1.008   4.907
   27    HB3  ARG   4           HB1      ARG   4  27.589   1.678   3.285
   28    HG2  ARG   4           HG2      ARG   4  25.591   2.939   3.920
   29    HG3  ARG   4           HG1      ARG   4  25.684   2.265   5.547
   30    HD2  ARG   4           HD2      ARG   4  26.664   4.403   5.692
   31    HD3  ARG   4           HD1      ARG   4  28.010   3.266   5.676
   32    HE   ARG   4           HE       ARG   4  27.522   4.058   3.043
   33   HH11  ARG   4          HH11      ARG   4  29.638   6.696   5.211
   34   HH12  ARG   4          HH12      ARG   4  28.672   5.511   6.026
   35   HH21  ARG   4          HH21      ARG   4  28.793   5.617   1.999
   36   HH22  ARG   4          HH22      ARG   4  29.704   6.755   2.932
   37    H    VAL   5           HN       VAL   5  26.314   0.206   1.196
   38    HA   VAL   5           HA       VAL   5  28.227  -2.022   1.127
   39    HB   VAL   5           HB       VAL   5  27.096  -2.788  -1.036
   40   HG11  VAL   5          HG11      VAL   5  25.664  -3.157   1.589
   41   HG12  VAL   5          HG12      VAL   5  27.043  -4.086   1.005
   42   HG13  VAL   5          HG13      VAL   5  25.493  -4.196   0.174
   43   HG21  VAL   5          HG21      VAL   5  24.771  -1.231   0.113
   44   HG22  VAL   5          HG22      VAL   5  24.682  -2.371  -1.230
   45   HG23  VAL   5          HG23      VAL   5  25.608  -0.880  -1.400
   46    H    GLY   6           HN       GLY   6  30.028  -1.472   0.140
   47    HA2  GLY   6           HA2      GLY   6  29.951   0.703  -1.858
   48    HA3  GLY   6           HA1      GLY   6  31.325   0.355  -0.821
   49    H    THR   7           HN       THR   7  32.601   0.310  -2.754
   50    HA   THR   7           HA       THR   7  32.209  -2.064  -4.432
   51    HB   THR   7           HB       THR   7  32.322  -0.016  -5.730
   52    HG1  THR   7           HG1      THR   7  33.649  -0.842  -7.223
   53   HG21  THR   7          HG21      THR   7  33.634   1.471  -4.369
   54   HG22  THR   7          HG22      THR   7  34.471   1.263  -5.904
   55   HG23  THR   7          HG23      THR   7  35.039   0.409  -4.473
   56    H    CYS   8           HN       CYS   8  34.612  -0.449  -2.413
   57    HA   CYS   8           HA       CYS   8  36.514  -2.620  -2.778
   58    HB2  CYS   8           HB2      CYS   8  36.691   0.008  -1.294
   59    HB3  CYS   8           HB1      CYS   8  37.996  -1.164  -1.406
   60    HA   PRO   9           HA       PRO   9  35.401  -4.728   1.001
   61    HB2  PRO   9           HB2      PRO   9  37.835  -5.692   1.820
   62    HB3  PRO   9           HB1      PRO   9  36.896  -6.400   0.489
   63    HG2  PRO   9           HG2      PRO   9  39.207  -4.522   0.378
   64    HG3  PRO   9           HG1      PRO   9  38.861  -5.949  -0.626
   65    HD2  PRO   9           HD2      PRO   9  38.390  -3.447  -1.500
   66    HD3  PRO   9           HD1      PRO   9  37.351  -4.814  -1.954
   67    H    SER  10           HN       SER  10  35.798  -4.807   3.345
   68    HA   SER  10           HA       SER  10  36.262  -2.175   4.411
   69    HB2  SER  10           HB2      SER  10  35.591  -4.776   5.806
   70    HB3  SER  10           HB1      SER  10  35.591  -3.185   6.566
   71    HG   SER  10           HG       SER  10  34.042  -3.717   4.268
   72    H    GLY  11           HN       GLY  11  37.872  -1.467   5.729
   73    HA2  GLY  11           HA2      GLY  11  39.782  -1.657   7.111
   74    HA3  GLY  11           HA1      GLY  11  40.014  -3.302   6.526
   75    H    TYR  12           HN       TYR  12  39.362  -0.985   4.102
   76    HA   TYR  12           HA       TYR  12  42.193  -0.974   3.302
   77    HB2  TYR  12           HB2      TYR  12  39.660  -1.309   1.832
   78    HB3  TYR  12           HB1      TYR  12  40.822  -0.229   1.056
   79    HD1  TYR  12           HD1      TYR  12  40.260  -3.680   2.247
   80    HD2  TYR  12           HD2      TYR  12  42.816  -1.064   0.076
   81    HE1  TYR  12           HE1      TYR  12  41.487  -5.622   1.365
   82    HE2  TYR  12           HE2      TYR  12  44.055  -2.994  -0.806
   83    HH   TYR  12           HH       TYR  12  44.478  -5.343  -0.212
   84    H    VAL  13           HN       VAL  13  42.908   0.959   2.043
   85    HA   VAL  13           HA       VAL  13  41.858   3.393   3.314
   86    HB   VAL  13           HB       VAL  13  44.494   3.016   1.853
   87   HG11  VAL  13          HG11      VAL  13  43.739   5.339   1.788
   88   HG12  VAL  13          HG12      VAL  13  45.135   5.165   2.852
   89   HG13  VAL  13          HG13      VAL  13  43.519   5.327   3.539
   90   HG21  VAL  13          HG21      VAL  13  43.910   3.114   4.811
   91   HG22  VAL  13          HG22      VAL  13  45.520   3.130   4.093
   92   HG23  VAL  13          HG23      VAL  13  44.480   1.719   3.896
   93    H    ARG  14           HN       ARG  14  40.395   4.460   2.151
   94    HA   ARG  14           HA       ARG  14  40.445   4.314  -0.781
   95    HB2  ARG  14           HB2      ARG  14  38.295   5.454   1.003
   96    HB3  ARG  14           HB1      ARG  14  38.159   5.095  -0.716
   97    HG2  ARG  14           HG2      ARG  14  38.377   2.696  -0.231
   98    HG3  ARG  14           HG1      ARG  14  38.476   3.065   1.494
   99    HD2  ARG  14           HD2      ARG  14  36.235   2.447   1.106
  100    HD3  ARG  14           HD1      ARG  14  36.225   4.204   1.234
  101    HE   ARG  14           HE       ARG  14  36.496   3.607  -1.459
  102   HH11  ARG  14          HH11      ARG  14  34.076   3.067   1.029
  103   HH12  ARG  14          HH12      ARG  14  32.757   3.065  -0.094
  104   HH21  ARG  14          HH21      ARG  14  33.144   3.367  -2.322
  105   HH22  ARG  14          HH22      ARG  14  34.756   3.600  -2.909
  106    H    ARG  15           HN       ARG  15  41.881   5.838  -1.468
  107    HA   ARG  15           HA       ARG  15  41.138   8.622  -1.106
  108    HB2  ARG  15           HB2      ARG  15  43.817   7.542  -0.213
  109    HB3  ARG  15           HB1      ARG  15  43.556   9.241  -0.585
  110    HG2  ARG  15           HG2      ARG  15  42.066   9.518   1.215
  111    HG3  ARG  15           HG1      ARG  15  41.880   7.773   1.436
  112    HD2  ARG  15           HD2      ARG  15  44.226   7.630   2.146
  113    HD3  ARG  15           HD1      ARG  15  44.404   9.369   1.920
  114    HE   ARG  15           HE       ARG  15  42.270   8.916   3.676
  115   HH11  ARG  15          HH11      ARG  15  45.765   8.571   3.646
  116   HH12  ARG  15          HH12      ARG  15  45.916   8.781   5.359
  117   HH21  ARG  15          HH21      ARG  15  42.491   9.183   5.916
  118   HH22  ARG  15          HH22      ARG  15  44.063   9.126   6.642
  119    H    GLY  16           HN       GLY  16  41.550   9.834  -2.875
  120    HA2  GLY  16           HA2      GLY  16  42.451  10.479  -4.913
  121    HA3  GLY  16           HA1      GLY  16  43.564   9.116  -4.820
  122    H    THR  17           HN       THR  17  40.023   9.126  -4.717
  123    HA   THR  17           HA       THR  17  38.409   8.062  -5.878
  124    HB   THR  17           HB       THR  17  38.527   8.081  -8.369
  125    HG1  THR  17           HG1      THR  17  40.323   9.025  -9.356
  126   HG21  THR  17          HG21      THR  17  38.520  10.525  -8.599
  127   HG22  THR  17          HG22      THR  17  39.270  10.674  -7.009
  128   HG23  THR  17          HG23      THR  17  37.644  10.005  -7.158
  129    H    PHE  18           HN       PHE  18  40.826   6.413  -4.972
  130    HA   PHE  18           HA       PHE  18  39.849   3.911  -5.980
  131    HB2  PHE  18           HB2      PHE  18  42.193   3.095  -6.652
  132    HB3  PHE  18           HB1      PHE  18  41.324   4.095  -7.799
  133    HD1  PHE  18           HD1      PHE  18  43.784   4.524  -4.993
  134    HD2  PHE  18           HD2      PHE  18  42.534   5.698  -8.893
  135    HE1  PHE  18           HE1      PHE  18  45.743   5.999  -5.174
  136    HE2  PHE  18           HE2      PHE  18  44.490   7.179  -9.073
  137    HZ   PHE  18           HZ       PHE  18  46.097   7.330  -7.214
  138    H    CYS  19           HN       CYS  19  40.479   2.121  -4.753
  139    HA   CYS  19           HA       CYS  19  41.587   2.820  -2.129
  140    HB2  CYS  19           HB2      CYS  19  40.553   0.714  -1.357
  141    HB3  CYS  19           HB1      CYS  19  39.373   1.794  -2.101
  142    H    PHE  20           HN       PHE  20  43.432   1.955  -1.357
  143    HA   PHE  20           HA       PHE  20  44.747  -0.117  -2.967
  144    HB2  PHE  20           HB2      PHE  20  46.901   0.974  -2.659
  145    HB3  PHE  20           HB1      PHE  20  45.762   2.121  -3.364
  146    HD1  PHE  20           HD1      PHE  20  47.941   1.385  -0.597
  147    HD2  PHE  20           HD2      PHE  20  44.774   3.909  -1.906
  148    HE1  PHE  20           HE1      PHE  20  48.455   2.964   1.217
  149    HE2  PHE  20           HE2      PHE  20  45.284   5.492  -0.093
  150    HZ   PHE  20           HZ       PHE  20  47.123   5.013   1.473
  151    HA   PRO  21           HA       PRO  21  45.405  -2.210   0.942
  152    HB2  PRO  21           HB2      PRO  21  47.951  -3.372   0.205
  153    HB3  PRO  21           HB1      PRO  21  46.353  -4.148   0.228
  154    HG2  PRO  21           HG2      PRO  21  47.749  -3.671  -2.052
  155    HG3  PRO  21           HG1      PRO  21  45.978  -3.750  -1.980
  156    HD2  PRO  21           HD2      PRO  21  47.756  -1.338  -2.030
  157    HD3  PRO  21           HD1      PRO  21  46.239  -1.644  -2.907
  158    H    ASP  22           HN       ASP  22  46.145  -1.745   2.870
  159    HA   ASP  22           HA       ASP  22  48.820  -0.950   3.475
  160    HB2  ASP  22           HB2      ASP  22  47.767   1.182   2.529
  161    HB3  ASP  22           HB1      ASP  22  46.718   1.177   3.944
  162    H    ASP  23           HN       ASP  23  45.447  -0.702   4.614
  163    HA   ASP  23           HA       ASP  23  46.250  -1.501   7.305
  164    HB2  ASP  23           HB2      ASP  23  44.661   0.457   6.763
  165    HB3  ASP  23           HB1      ASP  23  43.458  -0.779   6.417
  166    H    ASP  24           HN       ASP  24  45.027  -2.872   4.437
  167    HA   ASP  24           HA       ASP  24  44.231  -5.304   5.892
  168    HB2  ASP  24           HB2      ASP  24  42.344  -3.891   4.756
  169    HB3  ASP  24           HB1      ASP  24  42.968  -4.584   3.263
  170    H    TYR  25           HN       TYR  25  45.910  -6.635   5.573
  171    HA   TYR  25           HA       TYR  25  47.206  -6.767   2.953
  172    HB2  TYR  25           HB2      TYR  25  47.993  -7.863   5.656
  173    HB3  TYR  25           HB1      TYR  25  48.874  -8.223   4.176
  174    HD1  TYR  25           HD1      TYR  25  50.207  -6.506   3.072
  175    HD2  TYR  25           HD2      TYR  25  48.107  -5.665   6.676
  176    HE1  TYR  25           HE1      TYR  25  51.531  -4.454   3.359
  177    HE2  TYR  25           HE2      TYR  25  49.425  -3.611   6.971
  178    HH   TYR  25           HH       TYR  25  51.589  -2.693   6.258